smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000187354094 823048221 /nfs/dbraw/zinc/04/82/21/823048221.db2.gz OJIAAZQVLYWHSL-UHFFFAOYSA-N -1 1 382.844 4.019 20 0 GIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)OC)cc3)cc21 ZINC000187503623 823076856 /nfs/dbraw/zinc/07/68/56/823076856.db2.gz URQVSMDMHBDYAE-UHFFFAOYSA-N -1 1 387.461 4.030 20 0 GIADMM Cc1cscc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175989554 823089922 /nfs/dbraw/zinc/08/99/22/823089922.db2.gz LSZZVSUBWFFYDJ-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM Cc1nc2ccccc2n1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000570844872 823094667 /nfs/dbraw/zinc/09/46/67/823094667.db2.gz BKJMDJSVYMTGMO-UHFFFAOYSA-N -1 1 394.656 4.105 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc2[nH]ccc21 ZINC000176022464 823098038 /nfs/dbraw/zinc/09/80/38/823098038.db2.gz RBJGDQBBQMWDFX-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000121015771 823103166 /nfs/dbraw/zinc/10/31/66/823103166.db2.gz BWPUJAGNRCMZLM-GJZGRUSLSA-N -1 1 398.557 4.382 20 0 GIADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000176090950 823117786 /nfs/dbraw/zinc/11/77/86/823117786.db2.gz XTEZQCIZHYTUDD-JTQLQIEISA-N -1 1 386.320 4.156 20 0 GIADMM Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000121162585 823130172 /nfs/dbraw/zinc/13/01/72/823130172.db2.gz QWGUYGPEVILEIJ-IBGZPJMESA-N -1 1 382.420 4.020 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(C)c1 ZINC000121285007 823155129 /nfs/dbraw/zinc/15/51/29/823155129.db2.gz OOYWCHIDJQJAEM-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c2c(ccc1Cl)CC(C)(C)O2 ZINC000571262742 823157722 /nfs/dbraw/zinc/15/77/22/823157722.db2.gz KGIBFJYQUCQHIF-UHFFFAOYSA-N -1 1 397.928 4.249 20 0 GIADMM C[C@H]1CC2(CCC2)CN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000571360800 823170815 /nfs/dbraw/zinc/17/08/15/823170815.db2.gz PTUJXCCETMERHT-INIZCTEOSA-N -1 1 399.516 4.284 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2cccc3ccccc32)c1 ZINC000121433949 823183770 /nfs/dbraw/zinc/18/37/70/823183770.db2.gz ZEUQMEOPKRHVSA-UHFFFAOYSA-N -1 1 388.496 4.386 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000188086356 823184260 /nfs/dbraw/zinc/18/42/60/823184260.db2.gz TXYFKXCKHMOZCX-AWEZNQCLSA-N -1 1 379.485 4.119 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000188124968 823190237 /nfs/dbraw/zinc/19/02/37/823190237.db2.gz ZFDCKVWFWDWIPA-GOSISDBHSA-N -1 1 390.468 4.264 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]2CCC[C@@H]21 ZINC000571691070 823219508 /nfs/dbraw/zinc/21/95/08/823219508.db2.gz LQRSICAZHIKDCH-PMACEKPBSA-N -1 1 398.528 4.138 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000176493538 823220464 /nfs/dbraw/zinc/22/04/64/823220464.db2.gz CFESGTQYFCDYKX-SANMLTNESA-N -1 1 399.537 4.358 20 0 GIADMM CCSCC[C@@H](C)N(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176520494 823228037 /nfs/dbraw/zinc/22/80/37/823228037.db2.gz ZXRNXFPWRCUQDJ-OAHLLOKOSA-N -1 1 392.594 4.296 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC000176537045 823231889 /nfs/dbraw/zinc/23/18/89/823231889.db2.gz MAOFRRXYWWVSJD-APWZRJJASA-N -1 1 392.528 4.321 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N([C@@H](C)C3CC3)C3CC3)cc2)cc1 ZINC000056934952 823232626 /nfs/dbraw/zinc/23/26/26/823232626.db2.gz KQFMXWUXYRKNFO-INIZCTEOSA-N -1 1 398.528 4.199 20 0 GIADMM COc1csc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000176590875 823243114 /nfs/dbraw/zinc/24/31/14/823243114.db2.gz YUGRZOOMWZCJOM-UHFFFAOYSA-N -1 1 398.465 4.079 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1 ZINC000176613860 823249171 /nfs/dbraw/zinc/24/91/71/823249171.db2.gz PDWXBTXDNQZDBJ-GJZGRUSLSA-N -1 1 388.537 4.043 20 0 GIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1 ZINC000057120225 823250994 /nfs/dbraw/zinc/25/09/94/823250994.db2.gz KUKLZBBGXKANAT-UHFFFAOYSA-N -1 1 389.502 4.041 20 0 GIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000057122535 823251255 /nfs/dbraw/zinc/25/12/55/823251255.db2.gz LMZDPQBLYUJRKH-UHFFFAOYSA-N -1 1 382.869 4.042 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1(CF)CCC1 ZINC000572004601 823268239 /nfs/dbraw/zinc/26/82/39/823268239.db2.gz ZPGMYDACOSGPBV-UHFFFAOYSA-N -1 1 396.871 4.219 20 0 GIADMM CCN(CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000005293547 817569862 /nfs/dbraw/zinc/56/98/62/817569862.db2.gz OOVPMEHEXLJNAV-AGKWGAAGSA-N -1 1 375.856 4.456 20 0 GIADMM CCS[C@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000176726722 823278818 /nfs/dbraw/zinc/27/88/18/823278818.db2.gz FHLJADTWLURSHP-CVEARBPZSA-N -1 1 390.578 4.097 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2COc2ccccc2)c1 ZINC000121928761 823278876 /nfs/dbraw/zinc/27/88/76/823278876.db2.gz XWSQKMSTFJZGAF-UHFFFAOYSA-N -1 1 376.412 4.182 20 0 GIADMM CC(C)c1nnc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 ZINC000121914089 823276330 /nfs/dbraw/zinc/27/63/30/823276330.db2.gz SOMJQEBPFPSTMO-UHFFFAOYSA-N -1 1 388.884 4.025 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000121949844 823283344 /nfs/dbraw/zinc/28/33/44/823283344.db2.gz BKGNKVGBGGZMFC-UHFFFAOYSA-N -1 1 397.862 4.191 20 0 GIADMM Cc1ccc(SCCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1C ZINC000007144671 817770861 /nfs/dbraw/zinc/77/08/61/817770861.db2.gz AHSWVJKEVVIJIM-UHFFFAOYSA-N -1 1 384.453 4.341 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000057442816 823297811 /nfs/dbraw/zinc/29/78/11/823297811.db2.gz RHVZRTBYNFIPOV-UHFFFAOYSA-N -1 1 383.469 4.480 20 0 GIADMM O=C(CCSc1ccc(Cl)cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000008008596 817981136 /nfs/dbraw/zinc/98/11/36/817981136.db2.gz NBKGPQKHPUYICX-UHFFFAOYSA-N -1 1 390.844 4.378 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033588 817986694 /nfs/dbraw/zinc/98/66/94/817986694.db2.gz IHXJFYDJQXAXPD-JXFKEZNVSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(O)c1 ZINC000008033668 817986749 /nfs/dbraw/zinc/98/67/49/817986749.db2.gz XYTYLIBWNOFFTC-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2C[C@H]1C ZINC000011175015 818059187 /nfs/dbraw/zinc/05/91/87/818059187.db2.gz LIIJXWPQKCIBNH-SNVBAGLBSA-N -1 1 399.299 4.092 20 0 GIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1F ZINC000572266128 823309949 /nfs/dbraw/zinc/30/99/49/823309949.db2.gz YCYPLGLKKVSPNY-UHFFFAOYSA-N -1 1 381.428 4.400 20 0 GIADMM COc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc(Cl)c1[O-] ZINC000460188355 823310182 /nfs/dbraw/zinc/31/01/82/823310182.db2.gz LVHYHTBHQPCDSA-UHFFFAOYSA-N -1 1 385.807 4.197 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000011443194 818081614 /nfs/dbraw/zinc/08/16/14/818081614.db2.gz HEHUXXCCTZFAHG-CQSZACIVSA-N -1 1 381.501 4.257 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCc1cccc(Cl)c1 ZINC000014683448 818258484 /nfs/dbraw/zinc/25/84/84/818258484.db2.gz KJSNNOPQXOUGJJ-UHFFFAOYSA-N -1 1 378.910 4.029 20 0 GIADMM O=S(=O)([N-]c1ccc(-n2cnc3ccccc32)cc1)c1cc(F)cc(F)c1 ZINC000057748379 823328002 /nfs/dbraw/zinc/32/80/02/823328002.db2.gz STZIHVRFMPRCTR-UHFFFAOYSA-N -1 1 385.395 4.105 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000015414689 818323231 /nfs/dbraw/zinc/32/32/31/818323231.db2.gz NRHHBDRGLLLGBF-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CC(C)(C)[C@@H]1CCc2sc(C(=O)N[N-]C(=O)c3cccnc3Cl)cc2C1 ZINC000015535966 818334513 /nfs/dbraw/zinc/33/45/13/818334513.db2.gz NMUDUBYLRBEWOS-GFCCVEGCSA-N -1 1 391.924 4.022 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C)ccc3F)cc2)cc1 ZINC000015539689 818334991 /nfs/dbraw/zinc/33/49/91/818334991.db2.gz QQWMVFHYXSGLFD-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188952341 823332957 /nfs/dbraw/zinc/33/29/57/823332957.db2.gz VZMCPSQIWIWSFQ-UHFFFAOYSA-N -1 1 377.506 4.164 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000572426951 823337350 /nfs/dbraw/zinc/33/73/50/823337350.db2.gz XDXNMXINAYWETN-UHFFFAOYSA-N -1 1 389.452 4.032 20 0 GIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000016122000 818395389 /nfs/dbraw/zinc/39/53/89/818395389.db2.gz UIMPMDCWBKFRBL-UHFFFAOYSA-N -1 1 386.395 4.101 20 0 GIADMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000016504950 818450491 /nfs/dbraw/zinc/45/04/91/818450491.db2.gz GTOBLLFNALEDPA-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC000016503828 818450519 /nfs/dbraw/zinc/45/05/19/818450519.db2.gz URADXAQSXVNCHO-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000016597874 818458400 /nfs/dbraw/zinc/45/84/00/818458400.db2.gz GUCRWXFYENJAJL-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)cc1 ZINC000572433595 823338433 /nfs/dbraw/zinc/33/84/33/823338433.db2.gz GMVMDKJPRBBBBV-SFHVURJKSA-N -1 1 375.472 4.047 20 0 GIADMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)cc1 ZINC000572433595 823338441 /nfs/dbraw/zinc/33/84/41/823338441.db2.gz GMVMDKJPRBBBBV-SFHVURJKSA-N -1 1 375.472 4.047 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)cc2)cc1 ZINC000016645091 818463035 /nfs/dbraw/zinc/46/30/35/818463035.db2.gz FVXQJSCWXUGZCB-UHFFFAOYSA-N -1 1 396.516 4.021 20 0 GIADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000016723115 818469117 /nfs/dbraw/zinc/46/91/17/818469117.db2.gz QKWBSRFVNLKHJB-UHFFFAOYSA-N -1 1 383.477 4.032 20 0 GIADMM CCCCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000017442794 818515111 /nfs/dbraw/zinc/51/51/11/818515111.db2.gz KPZYRMLYIPZFPS-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000017962321 818536379 /nfs/dbraw/zinc/53/63/79/818536379.db2.gz UQJQONYHMIPTIO-UHFFFAOYSA-N -1 1 376.456 4.181 20 0 GIADMM C[C@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1cc2ccccc2s1 ZINC000018052648 818541638 /nfs/dbraw/zinc/54/16/38/818541638.db2.gz OHWWHEQCTMBOOB-AWEZNQCLSA-N -1 1 390.464 4.283 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](c2cccs2)c2ccccc2)n1 ZINC000018226700 818557731 /nfs/dbraw/zinc/55/77/31/818557731.db2.gz MCALRDKPXTWIOH-IBGZPJMESA-N -1 1 399.541 4.194 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2SC(C)C)ccc1C ZINC000122401981 823349511 /nfs/dbraw/zinc/34/95/11/823349511.db2.gz YGEUZQXXOXSKDC-UHFFFAOYSA-N -1 1 378.519 4.255 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2C)c1 ZINC000020909471 818639533 /nfs/dbraw/zinc/63/95/33/818639533.db2.gz MWFVGXYWMKMZPP-QGZVFWFLSA-N -1 1 384.501 4.399 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(-c2ccccc2F)o1 ZINC000021594277 818710662 /nfs/dbraw/zinc/71/06/62/818710662.db2.gz FSDQWWLSZWKMDD-UHFFFAOYSA-N -1 1 380.327 4.255 20 0 GIADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000022195093 818781518 /nfs/dbraw/zinc/78/15/18/818781518.db2.gz UNZANDCZSYFJFA-SFHVURJKSA-N -1 1 397.500 4.147 20 0 GIADMM Cc1noc(C(C)C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142803 823364683 /nfs/dbraw/zinc/36/46/83/823364683.db2.gz AXTSSAQOHYHGEY-UHFFFAOYSA-N -1 1 399.472 4.160 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c1 ZINC000122531705 823367921 /nfs/dbraw/zinc/36/79/21/823367921.db2.gz AVFFKNFRZQKKRN-UHFFFAOYSA-N -1 1 378.432 4.047 20 0 GIADMM C[C@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@@H](c2ccccc2)O1 ZINC000058206371 823368665 /nfs/dbraw/zinc/36/86/65/823368665.db2.gz SHNVZYWTTSDTKQ-LPHOPBHVSA-N -1 1 386.565 4.483 20 0 GIADMM CCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000022927849 818877581 /nfs/dbraw/zinc/87/75/81/818877581.db2.gz VHSRAORUTOVQSQ-UHFFFAOYSA-N -1 1 386.395 4.245 20 0 GIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000022959929 818880493 /nfs/dbraw/zinc/88/04/93/818880493.db2.gz QAICFMRZWFHERN-UHFFFAOYSA-N -1 1 382.485 4.169 20 0 GIADMM CCn1c(C)cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000058256179 823371990 /nfs/dbraw/zinc/37/19/90/823371990.db2.gz YKIPCMPURPNYKT-UHFFFAOYSA-N -1 1 397.500 4.178 20 0 GIADMM O=C(C=C(C1CC1)C1CC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058256234 823372061 /nfs/dbraw/zinc/37/20/61/823372061.db2.gz STDBTOMIKZBDIL-UHFFFAOYSA-N -1 1 382.485 4.172 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(c2ccccc2)CC1 ZINC000058255541 823372120 /nfs/dbraw/zinc/37/21/20/823372120.db2.gz COQVPZQCACORMX-UHFFFAOYSA-N -1 1 392.480 4.158 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2C)c1 ZINC000023599247 818962827 /nfs/dbraw/zinc/96/28/27/818962827.db2.gz XPACEOQWDAHGOI-UHFFFAOYSA-N -1 1 380.517 4.273 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C ZINC000024579720 819075168 /nfs/dbraw/zinc/07/51/68/819075168.db2.gz PZKRHPNYQYGOJZ-KRWDZBQOSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccn3)ccc2C)cc1 ZINC000024580988 819075415 /nfs/dbraw/zinc/07/54/15/819075415.db2.gz OBNFGBLCAPCVTE-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000189284420 823386675 /nfs/dbraw/zinc/38/66/75/823386675.db2.gz NPJYPJWFCBGOPZ-UHFFFAOYSA-N -1 1 398.450 4.318 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc(C)c1F ZINC000460433375 823387798 /nfs/dbraw/zinc/38/77/98/823387798.db2.gz DKHZGDFVMDPEKZ-UHFFFAOYSA-N -1 1 377.437 4.285 20 0 GIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000122678484 823392859 /nfs/dbraw/zinc/39/28/59/823392859.db2.gz JJZCONNZVYPMKO-UHFFFAOYSA-N -1 1 388.823 4.158 20 0 GIADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cc(-c2ccncc2)on1 ZINC000122663081 823389805 /nfs/dbraw/zinc/38/98/05/823389805.db2.gz SOEGZKQHSIQADJ-UHFFFAOYSA-N -1 1 379.363 4.485 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000460453693 823394608 /nfs/dbraw/zinc/39/46/08/823394608.db2.gz JBAVQLAYYYTVNV-UHFFFAOYSA-N -1 1 380.469 4.137 20 0 GIADMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(SCCC(=O)[O-])c1 ZINC000460458657 823396327 /nfs/dbraw/zinc/39/63/27/823396327.db2.gz LCEWPMXBCOGFAG-UHFFFAOYSA-N -1 1 385.894 4.016 20 0 GIADMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000572774425 823396469 /nfs/dbraw/zinc/39/64/69/823396469.db2.gz IOCIXXMZFWHKLO-UHFFFAOYSA-N -1 1 392.235 4.028 20 0 GIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000122908114 823432275 /nfs/dbraw/zinc/43/22/75/823432275.db2.gz YXADNOZIXBGQJK-UHFFFAOYSA-N -1 1 388.254 4.035 20 0 GIADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000122956647 823439598 /nfs/dbraw/zinc/43/95/98/823439598.db2.gz JZAAAIUDGJTTNB-HXUWFJFHSA-N -1 1 385.423 4.177 20 0 GIADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(Br)ccc1[O-])CC3 ZINC000025543642 820001074 /nfs/dbraw/zinc/00/10/74/820001074.db2.gz KVJWBQSFGZMBNG-UHFFFAOYSA-N -1 1 385.261 4.143 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2c(cccc2F)s1 ZINC000025709522 820016944 /nfs/dbraw/zinc/01/69/44/820016944.db2.gz JGPGSFMNSPSPMO-UHFFFAOYSA-N -1 1 399.472 4.075 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCCc3cccc(C(C)C)c32)c(=O)[n-]1 ZINC000411079220 823542241 /nfs/dbraw/zinc/54/22/41/823542241.db2.gz FGOXAADFBXUCFX-UHFFFAOYSA-N -1 1 385.533 4.248 20 0 GIADMM CCc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000026537044 820110940 /nfs/dbraw/zinc/11/09/40/820110940.db2.gz LVWURWVGVYAVBJ-UHFFFAOYSA-N -1 1 382.489 4.207 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000026980233 820172107 /nfs/dbraw/zinc/17/21/07/820172107.db2.gz OJGPSFPXRKXPBE-RHSMWYFYSA-N -1 1 388.537 4.091 20 0 GIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000410329053 823464744 /nfs/dbraw/zinc/46/47/44/823464744.db2.gz XBSGHCOUGUPUNA-UHFFFAOYSA-N -1 1 397.500 4.086 20 0 GIADMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc4nc(C(F)F)[nH]c4c3)c2O1 ZINC000410332783 823465755 /nfs/dbraw/zinc/46/57/55/823465755.db2.gz MVMWIQBDNQRVKD-UHFFFAOYSA-N -1 1 393.415 4.015 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000028490784 820339443 /nfs/dbraw/zinc/33/94/43/820339443.db2.gz QTNIMHXKZVXZPW-SFHVURJKSA-N -1 1 390.480 4.031 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028494492 820340569 /nfs/dbraw/zinc/34/05/69/820340569.db2.gz RAWXCUUEPLOYDK-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000028790947 820358422 /nfs/dbraw/zinc/35/84/22/820358422.db2.gz XPZJBSGVIDNJJE-NTEUORMPSA-N -1 1 381.453 4.217 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2ccccc2)c1 ZINC000028905734 820370711 /nfs/dbraw/zinc/37/07/11/820370711.db2.gz GTXUTQDADJQYIY-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1cc(F)ccc1F ZINC000029186826 820408539 /nfs/dbraw/zinc/40/85/39/820408539.db2.gz VNZRTYMQMBWIRW-CYBMUJFWSA-N -1 1 375.849 4.134 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000029388600 820448270 /nfs/dbraw/zinc/44/82/70/820448270.db2.gz HXXGPRQDHGTURO-UHFFFAOYSA-N -1 1 383.333 4.291 20 0 GIADMM O=C([N-]NC(=O)c1ccccc1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029518953 820467906 /nfs/dbraw/zinc/46/79/06/820467906.db2.gz NIEDYRBRPRTUAQ-UHFFFAOYSA-N -1 1 389.436 4.145 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2)c1 ZINC000030015166 820569592 /nfs/dbraw/zinc/56/95/92/820569592.db2.gz UHHMUAPYNKKVMM-QAPCUYQASA-N -1 1 386.517 4.104 20 0 GIADMM CC[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)C1 ZINC000030144078 820578832 /nfs/dbraw/zinc/57/88/32/820578832.db2.gz BOPXKFRPJCNHRK-AWEZNQCLSA-N -1 1 383.517 4.282 20 0 GIADMM C[C@@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)(C)C ZINC000030424426 820616186 /nfs/dbraw/zinc/61/61/86/820616186.db2.gz SKYWOBANPJVFQF-CQSZACIVSA-N -1 1 392.496 4.133 20 0 GIADMM CC(C)(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)no1 ZINC000460730974 823498045 /nfs/dbraw/zinc/49/80/45/823498045.db2.gz WOHVBZPRTHJFPH-UHFFFAOYSA-N -1 1 399.472 4.025 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000031435220 820810451 /nfs/dbraw/zinc/81/04/51/820810451.db2.gz RWQPBLLGYRBZQU-HNNXBMFYSA-N -1 1 391.500 4.055 20 0 GIADMM CCCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000031603716 820832146 /nfs/dbraw/zinc/83/21/46/820832146.db2.gz IXIMMTXXOPTDPT-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1CO ZINC000060165950 823510827 /nfs/dbraw/zinc/51/08/27/823510827.db2.gz OIQKJFAKFHFAGT-UHFFFAOYSA-N -1 1 383.469 4.045 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000032071787 820894172 /nfs/dbraw/zinc/89/41/72/820894172.db2.gz PRRCJHBLFXZDPP-MRXNPFEDSA-N -1 1 388.533 4.365 20 0 GIADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc2N1 ZINC000032087534 820895860 /nfs/dbraw/zinc/89/58/60/820895860.db2.gz TVYHJEBZHHLRPU-UHFFFAOYSA-N -1 1 378.453 4.039 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1OC1CCCC1 ZINC000032098553 820898494 /nfs/dbraw/zinc/89/84/94/820898494.db2.gz OICCSQHRCWBMPX-UHFFFAOYSA-N -1 1 383.416 4.096 20 0 GIADMM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(Cl)sc1Cl ZINC000032551305 820967689 /nfs/dbraw/zinc/96/76/89/820967689.db2.gz MRNCMWZGBVKVPX-UHFFFAOYSA-N -1 1 379.315 4.143 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1Cl ZINC000032590567 820973392 /nfs/dbraw/zinc/97/33/92/820973392.db2.gz FDYGXMRGCUKWKI-UHFFFAOYSA-N -1 1 378.837 4.113 20 0 GIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)c2)n1 ZINC000032592419 820974530 /nfs/dbraw/zinc/97/45/30/820974530.db2.gz YOGVOPKUVFGOKG-UHFFFAOYSA-N -1 1 381.501 4.451 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1C ZINC000032597254 820975341 /nfs/dbraw/zinc/97/53/41/820975341.db2.gz WLVIISWLKLKRCI-UHFFFAOYSA-N -1 1 398.484 4.169 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1C ZINC000032595265 820975353 /nfs/dbraw/zinc/97/53/53/820975353.db2.gz XCRVAYKYVYGHRS-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000060376729 823521513 /nfs/dbraw/zinc/52/15/13/823521513.db2.gz RZJPPZHHGXUIKO-UHFFFAOYSA-N -1 1 399.541 4.251 20 0 GIADMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460820799 823521776 /nfs/dbraw/zinc/52/17/76/823521776.db2.gz QFJUUXHGGOCJCU-UHFFFAOYSA-N -1 1 388.533 4.232 20 0 GIADMM O=C(NCC1CCCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000033054002 821028601 /nfs/dbraw/zinc/02/86/01/821028601.db2.gz XKTYKGZKYYYLHT-UHFFFAOYSA-N -1 1 392.908 4.061 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(C)c1 ZINC000460825578 823523172 /nfs/dbraw/zinc/52/31/72/823523172.db2.gz VVABKSDFKIWHEG-UHFFFAOYSA-N -1 1 388.258 4.096 20 0 GIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460829255 823524140 /nfs/dbraw/zinc/52/41/40/823524140.db2.gz NLACJPQHTAWYRA-OAHLLOKOSA-N -1 1 388.533 4.313 20 0 GIADMM CCc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000036350715 821071587 /nfs/dbraw/zinc/07/15/87/821071587.db2.gz LYGDGKWEYPEQBZ-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM CCCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000036350888 821071819 /nfs/dbraw/zinc/07/18/19/821071819.db2.gz ZZSAGDSKYOJBIJ-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000037408641 821091963 /nfs/dbraw/zinc/09/19/63/821091963.db2.gz FFDCSEZPULJCRB-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3ccc(O)cc3)cc2)cc1 ZINC000038141844 821094759 /nfs/dbraw/zinc/09/47/59/821094759.db2.gz KDODYFOOJCIHGK-UUASQNMZSA-N -1 1 393.464 4.398 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000040446675 821160624 /nfs/dbraw/zinc/16/06/24/821160624.db2.gz CTVAGWDRTJFQCA-UHFFFAOYSA-N -1 1 390.686 4.302 20 0 GIADMM Cc1nc([N-]S(=O)(=O)c2ccccc2Br)c(Cl)cc1Cl ZINC000040692659 821164858 /nfs/dbraw/zinc/16/48/58/821164858.db2.gz BZXLCOMBWWQRIL-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM CCC(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000042037222 821256314 /nfs/dbraw/zinc/25/63/14/821256314.db2.gz ILKLGLJZYUVXTL-UHFFFAOYSA-N -1 1 382.432 4.140 20 0 GIADMM CN(Cc1ccccc1Br)C(=O)c1ccc(Br)cc1[O-] ZINC000044483980 821590965 /nfs/dbraw/zinc/59/09/65/821590965.db2.gz FRNAGLYABLRLJS-UHFFFAOYSA-N -1 1 399.082 4.189 20 0 GIADMM C[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc2ccccc2c1 ZINC000181059070 821614067 /nfs/dbraw/zinc/61/40/67/821614067.db2.gz UBGZAIQOQDQROQ-ZDUSSCGKSA-N -1 1 386.448 4.093 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000181067601 821616877 /nfs/dbraw/zinc/61/68/77/821616877.db2.gz BUINIAMHLQDVKO-ZWKOTPCHSA-N -1 1 398.459 4.093 20 0 GIADMM CC[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(C)cc1 ZINC000181079087 821621982 /nfs/dbraw/zinc/62/19/82/821621982.db2.gz IBQZRXJJBGHQNY-CQSZACIVSA-N -1 1 378.469 4.028 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c(C)c1F ZINC000181134065 821654473 /nfs/dbraw/zinc/65/44/73/821654473.db2.gz UTPFMYSIVUHIDE-UHFFFAOYSA-N -1 1 390.436 4.215 20 0 GIADMM CCCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000181836570 822012170 /nfs/dbraw/zinc/01/21/70/822012170.db2.gz MZHFIXNLPCDGQE-CYBMUJFWSA-N -1 1 378.432 4.034 20 0 GIADMM COCCc1ccc2oc(NCc3cccc(Br)c3[O-])nc2c1 ZINC000181867654 822020761 /nfs/dbraw/zinc/02/07/61/822020761.db2.gz RYLFLSQNPRPZSO-UHFFFAOYSA-N -1 1 377.238 4.097 20 0 GIADMM O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182017712 822064009 /nfs/dbraw/zinc/06/40/09/822064009.db2.gz XWXCBFMULJVSHA-UHFFFAOYSA-N -1 1 393.365 4.291 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c2ccccc12 ZINC000182293229 822190693 /nfs/dbraw/zinc/19/06/93/822190693.db2.gz BLIVXBJWLNNCIA-UHFFFAOYSA-N -1 1 393.468 4.389 20 0 GIADMM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182438004 822242859 /nfs/dbraw/zinc/24/28/59/822242859.db2.gz DFDTWVPPTPJWTJ-HXUWFJFHSA-N -1 1 389.455 4.205 20 0 GIADMM O=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000182495721 822267020 /nfs/dbraw/zinc/26/70/20/822267020.db2.gz OXWWDDJLMLSUTP-BQYQJAHWSA-N -1 1 388.670 4.221 20 0 GIADMM O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045346474 822380257 /nfs/dbraw/zinc/38/02/57/822380257.db2.gz PCIWIOVBGNUATR-OAQYLSRUSA-N -1 1 378.472 4.148 20 0 GIADMM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182876681 822384283 /nfs/dbraw/zinc/38/42/83/822384283.db2.gz XRDBUPBOGISIOF-HNNXBMFYSA-N -1 1 390.867 4.293 20 0 GIADMM Cc1nc(-c2c[nH]c(C(=O)Nc3cc(C)cc(Br)c3[O-])c2)cs1 ZINC000182929856 822394953 /nfs/dbraw/zinc/39/49/53/822394953.db2.gz PILBMSSDDZJQJC-UHFFFAOYSA-N -1 1 392.278 4.475 20 0 GIADMM CCCCSc1ccc(Cl)cc1C(=O)NN=c1nc(OC)cc(C)[n-]1 ZINC000182986441 822405636 /nfs/dbraw/zinc/40/56/36/822405636.db2.gz KFLFDVRJFICPJI-UHFFFAOYSA-N -1 1 380.901 4.096 20 0 GIADMM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)C1=Cc2ccccc2CC1 ZINC000045713090 822407023 /nfs/dbraw/zinc/40/70/23/822407023.db2.gz PXQRKJCVGIHABK-UHFFFAOYSA-N -1 1 392.484 4.078 20 0 GIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@H]1c1ccccc1 ZINC000045788116 822413757 /nfs/dbraw/zinc/41/37/57/822413757.db2.gz SVVUBDIZIKYRPM-NRFANRHFSA-N -1 1 392.480 4.075 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H]2c2ccccc2)c1 ZINC000045853228 822419197 /nfs/dbraw/zinc/41/91/97/822419197.db2.gz XNXVVDUFNJSAGA-SFHVURJKSA-N -1 1 378.501 4.280 20 0 GIADMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c([C@@H]3CCCO3)nc(=O)c12 ZINC000178984516 822426487 /nfs/dbraw/zinc/42/64/87/822426487.db2.gz PLDVMDCLJMXKRB-AWEZNQCLSA-N -1 1 383.473 4.014 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1 ZINC000046015564 822435126 /nfs/dbraw/zinc/43/51/26/822435126.db2.gz IJSDEAORPNGKJW-UHFFFAOYSA-N -1 1 382.279 4.069 20 0 GIADMM COc1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)c([O-])c1 ZINC000046204640 822449082 /nfs/dbraw/zinc/44/90/82/822449082.db2.gz MEWGVYQRVCCNDG-UHFFFAOYSA-N -1 1 388.420 4.009 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2cccc(C(C)C)c2)c1 ZINC000179454735 822485374 /nfs/dbraw/zinc/48/53/74/822485374.db2.gz RUFHQPAVLIXLQT-UHFFFAOYSA-N -1 1 393.443 4.341 20 0 GIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1cccs1 ZINC000179753343 822543433 /nfs/dbraw/zinc/54/34/33/822543433.db2.gz FGUHTFRSTHSXBZ-LBPRGKRZSA-N -1 1 394.290 4.094 20 0 GIADMM CCC[C@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179796692 822554554 /nfs/dbraw/zinc/55/45/54/822554554.db2.gz RPWTVBFFTZNSQW-LBPRGKRZSA-N -1 1 388.386 4.155 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CCCC1 ZINC000047216561 822554953 /nfs/dbraw/zinc/55/49/53/822554953.db2.gz ZXZVXMSFOMXRBX-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000179948584 822583752 /nfs/dbraw/zinc/58/37/52/822583752.db2.gz VVOJYVLSOOJDKU-UHFFFAOYSA-N -1 1 396.306 4.323 20 0 GIADMM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184150034 822586208 /nfs/dbraw/zinc/58/62/08/822586208.db2.gz XAHMKJJZGFBVDI-JKSUJKDBSA-N -1 1 387.505 4.140 20 0 GIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000048230582 822647340 /nfs/dbraw/zinc/64/73/40/822647340.db2.gz RXVJYTPXEPRXBW-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CC1(C)Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2O1 ZINC000048539682 822670783 /nfs/dbraw/zinc/67/07/83/822670783.db2.gz PVKRTOVDZTWLCR-UHFFFAOYSA-N -1 1 396.443 4.026 20 0 GIADMM O=C(Nc1ccc(-c2nc(-c3ccncc3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000184864152 822702807 /nfs/dbraw/zinc/70/28/07/822702807.db2.gz FOSZKNQWCRECOZ-UHFFFAOYSA-N -1 1 394.337 4.035 20 0 GIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184879509 822706163 /nfs/dbraw/zinc/70/61/63/822706163.db2.gz OPEWCBNYCZWWJZ-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM CCCN(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000455766090 822722471 /nfs/dbraw/zinc/72/24/71/822722471.db2.gz HSTIXKQQDGQSDT-UHFFFAOYSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455770384 822723256 /nfs/dbraw/zinc/72/32/56/822723256.db2.gz MUVFXLIZSSNOIU-GOEBONIOSA-N -1 1 387.505 4.058 20 0 GIADMM C[C@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1cn(C)c2ccccc12 ZINC000185019067 822725880 /nfs/dbraw/zinc/72/58/80/822725880.db2.gz VHIYIEZEHQVUKF-NSHDSACASA-N -1 1 390.270 4.050 20 0 GIADMM CCN(C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1 ZINC000185056013 822730128 /nfs/dbraw/zinc/73/01/28/822730128.db2.gz JADMYZSQNBVHKT-MRXNPFEDSA-N -1 1 393.512 4.279 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nccn2Cc2ccccc2)nc1-c1ccccc1 ZINC000185057729 822730351 /nfs/dbraw/zinc/73/03/51/822730351.db2.gz GZWJINBIHZJBKE-UHFFFAOYSA-N -1 1 388.496 4.282 20 0 GIADMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000174334916 822773318 /nfs/dbraw/zinc/77/33/18/822773318.db2.gz SJEQZVJPXBFEKM-OAHLLOKOSA-N -1 1 380.429 4.097 20 0 GIADMM COc1cccc(-c2nsc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)n2)c1 ZINC000185619502 822802990 /nfs/dbraw/zinc/80/29/90/822802990.db2.gz FLMWXAHDWICEER-UHFFFAOYSA-N -1 1 396.403 4.260 20 0 GIADMM Cc1coc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cc12 ZINC000185808362 822823150 /nfs/dbraw/zinc/82/31/50/822823150.db2.gz IABFQMSZFPVEKM-UHFFFAOYSA-N -1 1 391.383 4.248 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000456783832 822830560 /nfs/dbraw/zinc/83/05/60/822830560.db2.gz LKRZVHVYLDAUJY-ZDUSSCGKSA-N -1 1 375.419 4.116 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1 ZINC000174772858 822835256 /nfs/dbraw/zinc/83/52/56/822835256.db2.gz AFYSXAPKCDKBKC-CQSZACIVSA-N -1 1 388.489 4.266 20 0 GIADMM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000457081086 822850865 /nfs/dbraw/zinc/85/08/65/822850865.db2.gz HBCGOFUHCCHSMY-UHFFFAOYSA-N -1 1 399.240 4.188 20 0 GIADMM C[C@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CCC1 ZINC000457431846 822874724 /nfs/dbraw/zinc/87/47/24/822874724.db2.gz IGFIUHLICUVDAF-ZDUSSCGKSA-N -1 1 376.453 4.001 20 0 GIADMM CC[C@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000457435632 822875075 /nfs/dbraw/zinc/87/50/75/822875075.db2.gz GIBKRYHEYZQIPJ-CYBMUJFWSA-N -1 1 382.432 4.107 20 0 GIADMM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186413794 822890573 /nfs/dbraw/zinc/89/05/73/822890573.db2.gz YCZNDHHYPMVWOK-LLVKDONJSA-N -1 1 395.272 4.477 20 0 GIADMM CCOc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000186423398 822892398 /nfs/dbraw/zinc/89/23/98/822892398.db2.gz JUOLLUWFZFHYSM-CQSZACIVSA-N -1 1 377.868 4.342 20 0 GIADMM CC[C@H](CC1CCCCC1)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175229130 822909544 /nfs/dbraw/zinc/90/95/44/822909544.db2.gz RTDGYIRVJVQPTB-CYBMUJFWSA-N -1 1 393.582 4.460 20 0 GIADMM O=C([O-])[C@]1(NCc2ccc(-c3ccncc3)cc2F)CCc2c1cccc2F ZINC000569463411 822926084 /nfs/dbraw/zinc/92/60/84/822926084.db2.gz NITOTEJIQYWTNF-QFIPXVFZSA-N -1 1 380.394 4.043 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C2CCCCC2)cc1 ZINC000175335772 822938675 /nfs/dbraw/zinc/93/86/75/822938675.db2.gz SBIBHCHSRAMIMD-CQSZACIVSA-N -1 1 388.537 4.091 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 ZINC000055159322 822942642 /nfs/dbraw/zinc/94/26/42/822942642.db2.gz ASRKPDQGUZHRMV-UHFFFAOYSA-N -1 1 393.468 4.290 20 0 GIADMM CCOc1cc(C(=O)Nc2ccnn2CCc2ccccc2)cc(Cl)c1[O-] ZINC000186737917 822947792 /nfs/dbraw/zinc/94/77/92/822947792.db2.gz GOMTUOADZHDARD-UHFFFAOYSA-N -1 1 385.851 4.136 20 0 GIADMM CCOc1cc(C(=O)N[C@H](COCC(C)C)c2ccco2)cc(Cl)c1[O-] ZINC000186747117 822949011 /nfs/dbraw/zinc/94/90/11/822949011.db2.gz AWGHJJDVCGGKCC-OAHLLOKOSA-N -1 1 381.856 4.181 20 0 GIADMM O=C(CSc1ccccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315148 822951196 /nfs/dbraw/zinc/95/11/96/822951196.db2.gz HFHGAOLYRABMGE-UHFFFAOYSA-N -1 1 389.904 4.259 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc(Cl)c1[O-] ZINC000186763594 822951541 /nfs/dbraw/zinc/95/15/41/822951541.db2.gz ZJWJTPAENOHDOH-UHFFFAOYSA-N -1 1 398.850 4.359 20 0 GIADMM CCOc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc(Cl)c1[O-] ZINC000186783080 822954633 /nfs/dbraw/zinc/95/46/33/822954633.db2.gz MDTLHQPNRKVRMQ-UHFFFAOYSA-N -1 1 397.862 4.077 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000055369696 822955265 /nfs/dbraw/zinc/95/52/65/822955265.db2.gz YHJVHKRGOPWQKS-UHFFFAOYSA-N -1 1 398.507 4.146 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000175399086 822959182 /nfs/dbraw/zinc/95/91/82/822959182.db2.gz FBJYINFZRLESMO-CABCVRRESA-N -1 1 388.537 4.043 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186841673 822965613 /nfs/dbraw/zinc/96/56/13/822965613.db2.gz OWAVUWLPFYVPRP-GUYCJALGSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)cc(Cl)c1[O-] ZINC000186842807 822965909 /nfs/dbraw/zinc/96/59/09/822965909.db2.gz IDCKRJWJNQOYLY-UHFFFAOYSA-N -1 1 387.823 4.309 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[n-]c(=O)c1C ZINC000569824801 822973088 /nfs/dbraw/zinc/97/30/88/822973088.db2.gz FHBYDJGIZQFNIJ-GFCCVEGCSA-N -1 1 379.913 4.443 20 0 GIADMM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186925860 822981378 /nfs/dbraw/zinc/98/13/78/822981378.db2.gz RDTYXFZBRDJVPZ-UHFFFAOYSA-N -1 1 395.484 4.054 20 0 GIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000055595326 822984999 /nfs/dbraw/zinc/98/49/99/822984999.db2.gz BZZYIMKSEISBGO-UHFFFAOYSA-N -1 1 379.787 4.306 20 0 GIADMM CCOc1cc(C(=O)N(Cc2ccco2)Cc2cccnc2)cc(Cl)c1[O-] ZINC000186951946 822985592 /nfs/dbraw/zinc/98/55/92/822985592.db2.gz TYGIKYRICZMFNV-UHFFFAOYSA-N -1 1 386.835 4.275 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000055615617 822987784 /nfs/dbraw/zinc/98/77/84/822987784.db2.gz QITSVFOKXIJGJF-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC(F)(F)C(F)F)c1)c1cccc(F)c1 ZINC000055632164 822989908 /nfs/dbraw/zinc/98/99/08/822989908.db2.gz QDWAJDSOEBWRNC-UHFFFAOYSA-N -1 1 395.349 4.044 20 0 GIADMM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1cccc(Cl)c1 ZINC000055633141 822990286 /nfs/dbraw/zinc/99/02/86/822990286.db2.gz GMJRLQXQWZZITJ-UHFFFAOYSA-N -1 1 377.849 4.451 20 0 GIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000055648356 822992528 /nfs/dbraw/zinc/99/25/28/822992528.db2.gz PQJKEGLGIFRFQL-CQSZACIVSA-N -1 1 392.908 4.155 20 0 GIADMM O=C([O-])c1ccc(-c2nc(CN3CC[C@@H](COCc4ccccc4)C3)co2)cc1 ZINC000569981504 822993060 /nfs/dbraw/zinc/99/30/60/822993060.db2.gz HJXYEFOZVUEFOQ-GOSISDBHSA-N -1 1 392.455 4.079 20 0 GIADMM O=C([O-])c1ccc(-c2nc(CN3CC[C@H](COCc4ccccc4)C3)co2)cc1 ZINC000569981505 822993074 /nfs/dbraw/zinc/99/30/74/822993074.db2.gz HJXYEFOZVUEFOQ-SFHVURJKSA-N -1 1 392.455 4.079 20 0 GIADMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(Cc3ccccc3F)s2)c1 ZINC000187112611 823012267 /nfs/dbraw/zinc/01/22/67/823012267.db2.gz NCMMEEQTXHEDDX-MRXNPFEDSA-N -1 1 393.443 4.143 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2CCC(C)(C)CC2)cc1 ZINC000175645871 823012345 /nfs/dbraw/zinc/01/23/45/823012345.db2.gz KQFOVEBPOZARTN-UHFFFAOYSA-N -1 1 388.537 4.091 20 0 GIADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000570211630 823015794 /nfs/dbraw/zinc/01/57/94/823015794.db2.gz IXTUIRIJLXGRCV-WCQYABFASA-N -1 1 395.322 4.258 20 0 GIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187244251 823029689 /nfs/dbraw/zinc/02/96/89/823029689.db2.gz SGMKCHXJCZDKGD-SFHVURJKSA-N -1 1 379.460 4.247 20 0 GIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000190147523 823543046 /nfs/dbraw/zinc/54/30/46/823543046.db2.gz KMSXFMUJLLUBPM-UHFFFAOYSA-N -1 1 394.496 4.089 20 0 GIADMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000190232571 823553568 /nfs/dbraw/zinc/55/35/68/823553568.db2.gz POSYBNWTWXKUCM-QGZVFWFLSA-N -1 1 396.468 4.156 20 0 GIADMM CCOC(=O)C1=C(NC(=O)c2cc(C)sc2C)[N-]c2ccccc2N=C1C ZINC000060951690 823568936 /nfs/dbraw/zinc/56/89/36/823568936.db2.gz FDSYLSGGNMRBSK-UHFFFAOYSA-N -1 1 383.473 4.088 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000124158687 823572853 /nfs/dbraw/zinc/57/28/53/823572853.db2.gz GTGIGMLOYCIFOT-MRXNPFEDSA-N -1 1 398.919 4.277 20 0 GIADMM COCc1c2ccccc2oc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000461113886 823580089 /nfs/dbraw/zinc/58/00/89/823580089.db2.gz YBYIBEWSJDQGJG-UHFFFAOYSA-N -1 1 377.318 4.451 20 0 GIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461116082 823580296 /nfs/dbraw/zinc/58/02/96/823580296.db2.gz VHWMETRXCCZIKY-UHFFFAOYSA-N -1 1 383.800 4.424 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000124276358 823583165 /nfs/dbraw/zinc/58/31/65/823583165.db2.gz KMFACDBYCASGFY-UHFFFAOYSA-N -1 1 398.919 4.154 20 0 GIADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc(C2CCCCC2)no1 ZINC000124477337 823599944 /nfs/dbraw/zinc/59/99/44/823599944.db2.gz NAHULXOHPKFKOP-JTQLQIEISA-N -1 1 394.269 4.076 20 0 GIADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1nc(C2CCCCC2)no1 ZINC000124477571 823599870 /nfs/dbraw/zinc/59/98/70/823599870.db2.gz NAHULXOHPKFKOP-SNVBAGLBSA-N -1 1 394.269 4.076 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc2)c1C ZINC000461222330 823600909 /nfs/dbraw/zinc/60/09/09/823600909.db2.gz ZVAZWRFHQLXCLR-UHFFFAOYSA-N -1 1 375.881 4.252 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1C(F)(F)F ZINC000190749028 823604951 /nfs/dbraw/zinc/60/49/51/823604951.db2.gz UGAIMMSQIZATCX-GFCCVEGCSA-N -1 1 380.204 4.205 20 0 GIADMM C[C@@H]1CN(Cc2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000190943774 823628176 /nfs/dbraw/zinc/62/81/76/823628176.db2.gz RQDADMDPBHMKMI-OKILXGFUSA-N -1 1 389.883 4.299 20 0 GIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1OC ZINC000191050637 823642502 /nfs/dbraw/zinc/64/25/02/823642502.db2.gz AFJKDUXXGROAIU-UHFFFAOYSA-N -1 1 393.827 4.267 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C ZINC000063181274 823654641 /nfs/dbraw/zinc/65/46/41/823654641.db2.gz WYSVGGFWZJSBIG-UHFFFAOYSA-N -1 1 384.860 4.327 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1 ZINC000063181404 823654669 /nfs/dbraw/zinc/65/46/69/823654669.db2.gz RSYIVCWOQIEORY-UHFFFAOYSA-N -1 1 376.478 4.254 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1 ZINC000063476069 823674950 /nfs/dbraw/zinc/67/49/50/823674950.db2.gz QJPCLFURVQCMQW-UHFFFAOYSA-N -1 1 385.489 4.057 20 0 GIADMM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(OCC(F)(F)F)c1 ZINC000125634344 823691967 /nfs/dbraw/zinc/69/19/67/823691967.db2.gz SOBGMTJHAVDHSL-UHFFFAOYSA-N -1 1 381.276 4.063 20 0 GIADMM Cc1cc(C)c(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000063798383 823697791 /nfs/dbraw/zinc/69/77/91/823697791.db2.gz LMNKKBXTSMIUJJ-UHFFFAOYSA-N -1 1 380.488 4.122 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C(C)C)cc2C[C@@H]1C ZINC000125928737 823746420 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O=C([O-])C[C@H](NCc1cnn(CC(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000574931368 823862967 /nfs/dbraw/zinc/86/29/67/823862967.db2.gz OLYOLEUROZXAHK-ZDUSSCGKSA-N -1 1 396.196 4.058 20 0 GIADMM O=C([O-])c1ccc(-c2nc(CN3CCC[C@@H]3Cc3cccc(F)c3)co2)cc1 ZINC000575322334 823954378 /nfs/dbraw/zinc/95/43/78/823954378.db2.gz BSJZTASKJQUFAF-HXUWFJFHSA-N -1 1 380.419 4.386 20 0 GIADMM CCCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000065174568 823956957 /nfs/dbraw/zinc/95/69/57/823956957.db2.gz UCGYZBXMEWSXAF-UHFFFAOYSA-N -1 1 392.496 4.243 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(C(F)F)CCCC1 ZINC000575928096 824031022 /nfs/dbraw/zinc/03/10/22/824031022.db2.gz ZVZVAWVJWIKWMW-UHFFFAOYSA-N -1 1 394.443 4.251 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000171030313 824042903 /nfs/dbraw/zinc/04/29/03/824042903.db2.gz RQWWDEOAXWROOC-MRXNPFEDSA-N -1 1 398.557 4.465 20 0 GIADMM CC(C)(CCc1ccccc1)NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000171032651 824043388 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CSc1ncc(Cl)c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)n1 ZINC000056248951 823112176 /nfs/dbraw/zinc/11/21/76/823112176.db2.gz IXLRZNOLZKOADQ-UHFFFAOYSA-N -1 1 398.300 4.276 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000176180187 823146253 /nfs/dbraw/zinc/14/62/53/823146253.db2.gz MBZQRPXWNURLJF-UHFFFAOYSA-N -1 1 389.499 4.315 20 0 GIADMM CC1=C(C)C[C@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000571331013 823166569 /nfs/dbraw/zinc/16/65/69/823166569.db2.gz KQUMLBUZIVJOAN-GOSISDBHSA-N -1 1 398.528 4.240 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccc(F)cc3)s2)[n-]c1=O ZINC000188023925 823173421 /nfs/dbraw/zinc/17/34/21/823173421.db2.gz WIWTYDNQEPOXKH-ZRDIBKRKSA-N -1 1 384.432 4.375 20 0 GIADMM O=C(Nc1nnn[n-]1)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC000121434208 823183882 /nfs/dbraw/zinc/18/38/82/823183882.db2.gz CQMKBXDLIUDJIC-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM O=C(Nc1nn[n-]n1)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC000121434208 823183886 /nfs/dbraw/zinc/18/38/86/823183886.db2.gz CQMKBXDLIUDJIC-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM Cc1ccc(Sc2nsc([N-]C(=O)c3ccnc(Cl)c3F)n2)cc1 ZINC000121623975 823217913 /nfs/dbraw/zinc/21/79/13/823217913.db2.gz YNBTUJKXMHCBOT-UHFFFAOYSA-N -1 1 380.857 4.438 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000176493525 823220509 /nfs/dbraw/zinc/22/05/09/823220509.db2.gz CFESGTQYFCDYKX-AREMUKBSSA-N -1 1 399.537 4.358 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000176537026 823231936 /nfs/dbraw/zinc/23/19/36/823231936.db2.gz MAOFRRXYWWVSJD-QFBILLFUSA-N -1 1 392.528 4.321 20 0 GIADMM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)s1 ZINC000176548305 823234545 /nfs/dbraw/zinc/23/45/45/823234545.db2.gz JQSYIGWGLXVBHH-SNVBAGLBSA-N -1 1 392.531 4.414 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1C ZINC000057120360 823250918 /nfs/dbraw/zinc/25/09/18/823250918.db2.gz SWQQDUYKDLGPCS-UHFFFAOYSA-N -1 1 386.473 4.385 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000176695325 823269927 /nfs/dbraw/zinc/26/99/27/823269927.db2.gz CCNZZMOIAPGUGV-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000004879213 817538504 /nfs/dbraw/zinc/53/85/04/817538504.db2.gz FUMWXLTWAXSEOM-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CC(C)[C@@H]1CN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)c2ccccc2N1 ZINC000176699510 823270640 /nfs/dbraw/zinc/27/06/40/823270640.db2.gz OINVDLRNABSHOZ-AWEZNQCLSA-N -1 1 399.545 4.152 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000176699037 823270738 /nfs/dbraw/zinc/27/07/38/823270738.db2.gz MFALOQRSECSIFU-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM CCS[C@@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000176726706 823278957 /nfs/dbraw/zinc/27/89/57/823278957.db2.gz FHLJADTWLURSHP-HZPDHXFCSA-N -1 1 390.578 4.097 20 0 GIADMM CCS[C@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000176728381 823279108 /nfs/dbraw/zinc/27/91/08/823279108.db2.gz VHPKGCWYZZTMAJ-HOTGVXAUSA-N -1 1 390.578 4.097 20 0 GIADMM CC(C)COc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000057283174 823275824 /nfs/dbraw/zinc/27/58/24/823275824.db2.gz NHKIFCYSADLVEI-UHFFFAOYSA-N -1 1 388.518 4.343 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C[C@H](C)c1ccccc1 ZINC000006429170 817690465 /nfs/dbraw/zinc/69/04/65/817690465.db2.gz JAZCZMBDFSGGAQ-AWEZNQCLSA-N -1 1 379.485 4.073 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000121952842 823284016 /nfs/dbraw/zinc/28/40/16/823284016.db2.gz QJCMYJICWBSNSC-UHFFFAOYSA-N -1 1 397.862 4.191 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000007050695 817747293 /nfs/dbraw/zinc/74/72/93/817747293.db2.gz BSCPHMSFXGDJLR-UHFFFAOYSA-N -1 1 376.261 4.120 20 0 GIADMM COc1cc(C(=O)NCc2ccc(C)cc2OCC2CC2)cc(Cl)c1[O-] ZINC000460133460 823291492 /nfs/dbraw/zinc/29/14/92/823291492.db2.gz NQLTZSAGMMJAFC-UHFFFAOYSA-N -1 1 375.852 4.081 20 0 GIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)ccc21 ZINC000007323305 817818283 /nfs/dbraw/zinc/81/82/83/817818283.db2.gz JQCUVINQJLJVAE-UHFFFAOYSA-N -1 1 392.480 4.063 20 0 GIADMM O=C(CSc1ccc2ccccc2c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007543921 817865079 /nfs/dbraw/zinc/86/50/79/817865079.db2.gz RWLPZUOTHFCUNL-UHFFFAOYSA-N -1 1 392.432 4.487 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)c1 ZINC000008033373 817986013 /nfs/dbraw/zinc/98/60/13/817986013.db2.gz BJSKAAYQHALFSK-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cc(C)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000057566170 823310324 /nfs/dbraw/zinc/31/03/24/823310324.db2.gz ZYEQTJYOBXRZFW-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000011443193 818081658 /nfs/dbraw/zinc/08/16/58/818081658.db2.gz HEHUXXCCTZFAHG-AWEZNQCLSA-N -1 1 381.501 4.257 20 0 GIADMM COc1ccc(-c2cc(NC(=O)c3ccc(OC)cc3[O-])ccc2OC)cc1 ZINC000012034589 818136947 /nfs/dbraw/zinc/13/69/47/818136947.db2.gz QPSSFXWJUVEFBO-UHFFFAOYSA-N -1 1 379.412 4.337 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)c(F)c2)cc1 ZINC000012488296 818164693 /nfs/dbraw/zinc/16/46/93/818164693.db2.gz LXTGSAVODQBRNG-UHFFFAOYSA-N -1 1 384.480 4.070 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC000015348539 818315284 /nfs/dbraw/zinc/31/52/84/818315284.db2.gz FOVWSVLFHMLFFM-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015414429 818323551 /nfs/dbraw/zinc/32/35/51/818323551.db2.gz PZCQJOMESNHJBI-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000015615830 818348529 /nfs/dbraw/zinc/34/85/29/818348529.db2.gz BKKMOSDLAAXIPS-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C(C[C@@H]1C=CCCC1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000188950581 823332511 /nfs/dbraw/zinc/33/25/11/823332511.db2.gz DFUFTPPTDSPAHJ-CQSZACIVSA-N -1 1 380.469 4.441 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000016094718 818392761 /nfs/dbraw/zinc/39/27/61/818392761.db2.gz ULFYZMWEBHZIQF-UHFFFAOYSA-N -1 1 398.175 4.408 20 0 GIADMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000016122667 818396000 /nfs/dbraw/zinc/39/60/00/818396000.db2.gz QZJQHNTZRJPBMV-UHFFFAOYSA-N -1 1 384.423 4.415 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCCCC2)cc1 ZINC000057809569 823335107 /nfs/dbraw/zinc/33/51/07/823335107.db2.gz TXFJQHSUMGMJQL-UHFFFAOYSA-N -1 1 388.537 4.189 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000057817428 823337021 /nfs/dbraw/zinc/33/70/21/823337021.db2.gz JJKOCSZJXWRCHA-UHFFFAOYSA-N -1 1 384.480 4.104 20 0 GIADMM CC(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000017172603 818503110 /nfs/dbraw/zinc/50/31/10/818503110.db2.gz JLQQVLNBUHZGNB-UHFFFAOYSA-N -1 1 398.887 4.056 20 0 GIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)c1cccc(N(C)C)c1 ZINC000017249563 818504067 /nfs/dbraw/zinc/50/40/67/818504067.db2.gz HEYIAWKWMPHIHO-UHFFFAOYSA-N -1 1 387.439 4.035 20 0 GIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC(C)C)c1 ZINC000017301462 818506412 /nfs/dbraw/zinc/50/64/12/818506412.db2.gz OOLMNECQXKEKLS-UHFFFAOYSA-N -1 1 388.533 4.232 20 0 GIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000189056513 823349767 /nfs/dbraw/zinc/34/97/67/823349767.db2.gz RRMLCFXSQYZEDN-LBPRGKRZSA-N -1 1 387.860 4.002 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3cnccc32)cc1 ZINC000021218531 818665921 /nfs/dbraw/zinc/66/59/21/818665921.db2.gz BNCFWYDFVWSHGE-UHFFFAOYSA-N -1 1 389.484 4.493 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(C(F)(F)F)cc1 ZINC000021279379 818671285 /nfs/dbraw/zinc/67/12/85/818671285.db2.gz GWRIJQPJFCZZJE-UHFFFAOYSA-N -1 1 384.408 4.327 20 0 GIADMM O=C([N-]c1cc(-c2ccccc2F)on1)c1c(F)cc(C(F)(F)F)cc1F ZINC000572535568 823356328 /nfs/dbraw/zinc/35/63/28/823356328.db2.gz HESNFJMHEUSFLS-UHFFFAOYSA-N -1 1 386.251 4.452 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000022226714 818784240 /nfs/dbraw/zinc/78/42/40/818784240.db2.gz AHAIVMYLJKHIPU-JTQLQIEISA-N -1 1 399.438 4.041 20 0 GIADMM O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022651226 818837472 /nfs/dbraw/zinc/83/74/72/818837472.db2.gz DNVLJAOIQAGVIX-UHFFFAOYSA-N -1 1 384.501 4.108 20 0 GIADMM CN(Cc1c(F)cccc1Cl)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058204957 823368376 /nfs/dbraw/zinc/36/83/76/823368376.db2.gz HSPSBZZQZWTOPK-UHFFFAOYSA-N -1 1 382.917 4.475 20 0 GIADMM Fc1ccc([C@H]2CN(Cn3c(CCC4CCCC4)n[n-]c3=S)CCO2)cc1 ZINC000058205466 823368579 /nfs/dbraw/zinc/36/85/79/823368579.db2.gz FQAZRRAQDPBWLX-GOSISDBHSA-N -1 1 390.528 4.234 20 0 GIADMM CC(C)c1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000023023141 818888883 /nfs/dbraw/zinc/88/88/83/818888883.db2.gz SQPINLHGCQPZLP-UHFFFAOYSA-N -1 1 396.501 4.223 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000023431908 818940491 /nfs/dbraw/zinc/94/04/91/818940491.db2.gz SNSZGZBDQBENGV-WMZOPIPTSA-N -1 1 384.549 4.345 20 0 GIADMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000410033075 823375230 /nfs/dbraw/zinc/37/52/30/823375230.db2.gz HOHVJWZEBDFUSD-UHFFFAOYSA-N -1 1 394.431 4.484 20 0 GIADMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023623717 818966687 /nfs/dbraw/zinc/96/66/87/818966687.db2.gz FACYLJRPZIQNDU-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1 ZINC000460408895 823379680 /nfs/dbraw/zinc/37/96/80/823379680.db2.gz CHMFHUKFZBAQHN-UHFFFAOYSA-N -1 1 396.468 4.262 20 0 GIADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000024229474 819037850 /nfs/dbraw/zinc/03/78/50/819037850.db2.gz OYUMWPBPUMHBFW-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 ZINC000024433798 819056515 /nfs/dbraw/zinc/05/65/15/819056515.db2.gz QEJMWXIPVVANBI-UHFFFAOYSA-N -1 1 396.516 4.089 20 0 GIADMM CCCN(CCC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000058457766 823394754 /nfs/dbraw/zinc/39/47/54/823394754.db2.gz MAHSERGHDLWKKY-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccc1Cl ZINC000460455508 823395145 /nfs/dbraw/zinc/39/51/45/823395145.db2.gz YXZHWAMJMZKYMS-UHFFFAOYSA-N -1 1 394.924 4.140 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 ZINC000177197182 823396797 /nfs/dbraw/zinc/39/67/97/823396797.db2.gz GWOHBTUJRDQUQI-HZPDHXFCSA-N -1 1 380.517 4.225 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC3(C)C)cc2)c1 ZINC000572867261 823411608 /nfs/dbraw/zinc/41/16/08/823411608.db2.gz JXIHGPBCAZFKIP-LJQANCHMSA-N -1 1 386.517 4.023 20 0 GIADMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000058645434 823423644 /nfs/dbraw/zinc/42/36/44/823423644.db2.gz FWRWEDVGGYLGJV-UHFFFAOYSA-N -1 1 392.480 4.281 20 0 GIADMM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1c(Cl)cccc1C(F)(F)F ZINC000122889582 823429356 /nfs/dbraw/zinc/42/93/56/823429356.db2.gz VGGYYNSDODVBNQ-UHFFFAOYSA-N -1 1 396.843 4.171 20 0 GIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1 ZINC000024956625 819900008 /nfs/dbraw/zinc/90/00/08/819900008.db2.gz GRIJSAHTUOLKSC-UHFFFAOYSA-N -1 1 386.517 4.302 20 0 GIADMM CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000025343095 819967182 /nfs/dbraw/zinc/96/71/82/819967182.db2.gz GGHNWOGPJQSPDZ-UHFFFAOYSA-N -1 1 388.533 4.414 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000025425916 819978719 /nfs/dbraw/zinc/97/87/19/819978719.db2.gz FCVPYNDNDDLUDZ-UHFFFAOYSA-N -1 1 388.533 4.169 20 0 GIADMM Cc1sc2ncn([N-]C(=O)c3ccc(-c4ccc(F)cc4)s3)c(=O)c2c1C ZINC000025712631 820017449 /nfs/dbraw/zinc/01/74/49/820017449.db2.gz FCMXLKHLKLCWMO-UHFFFAOYSA-N -1 1 399.472 4.326 20 0 GIADMM O=C([O-])c1ccccc1CC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000573105213 823448377 /nfs/dbraw/zinc/44/83/77/823448377.db2.gz TYAOTHNFWVPWMQ-UHFFFAOYSA-N -1 1 376.456 4.495 20 0 GIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3occc3Br)s2)c1 ZINC000177377178 823449324 /nfs/dbraw/zinc/44/93/24/823449324.db2.gz MUFSWQCAIZFCEN-UHFFFAOYSA-N -1 1 378.251 4.430 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)(C)C)cc2)c1 ZINC000027366675 820232123 /nfs/dbraw/zinc/23/21/23/820232123.db2.gz KQSRVMRSSALAHO-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000177427276 823459840 /nfs/dbraw/zinc/45/98/40/823459840.db2.gz LUKULGDAMSKDBF-KBPBESRZSA-N -1 1 386.546 4.368 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)nc1 ZINC000027643933 820270346 /nfs/dbraw/zinc/27/03/46/820270346.db2.gz FBVBMFUIKIBXKI-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C)ccn3)c2)c1 ZINC000027648910 820271025 /nfs/dbraw/zinc/27/10/25/820271025.db2.gz MAFJCEPOJOQDFM-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000028194920 820318064 /nfs/dbraw/zinc/31/80/64/820318064.db2.gz LVHXUZLWTDMTCR-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3O)c2)c1 ZINC000028818036 820360520 /nfs/dbraw/zinc/36/05/20/820360520.db2.gz HJXSTAXQTLKHBK-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1 ZINC000029047961 820387277 /nfs/dbraw/zinc/38/72/77/820387277.db2.gz HURMOHIWICFWEH-UHFFFAOYSA-N -1 1 375.368 4.175 20 0 GIADMM CN(CC1CCCCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029289925 820429643 /nfs/dbraw/zinc/42/96/43/820429643.db2.gz HFKYRIFLZNQMLU-UHFFFAOYSA-N -1 1 386.517 4.140 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)co1 ZINC000029433333 820454447 /nfs/dbraw/zinc/45/44/47/820454447.db2.gz HKYZWVZCXNNYPM-UHFFFAOYSA-N -1 1 382.363 4.470 20 0 GIADMM O=C(NCC1CCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000029915289 820547356 /nfs/dbraw/zinc/54/73/56/820547356.db2.gz ZEHJAGRQXNBDEJ-UHFFFAOYSA-N -1 1 392.908 4.061 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)s1 ZINC000410405316 823488651 /nfs/dbraw/zinc/48/86/51/823488651.db2.gz XYNOXRKHXOPCOB-UHFFFAOYSA-N -1 1 384.679 4.412 20 0 GIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000410405953 823489131 /nfs/dbraw/zinc/48/91/31/823489131.db2.gz ZVXWVYJXUIAELU-UHFFFAOYSA-N -1 1 383.311 4.460 20 0 GIADMM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000059362192 823493576 /nfs/dbraw/zinc/49/35/76/823493576.db2.gz MUCCFVHVMPXETN-UHFFFAOYSA-N -1 1 388.386 4.246 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000410415743 823491010 /nfs/dbraw/zinc/49/10/10/823491010.db2.gz WZTMMWQJPCJZCT-UHFFFAOYSA-N -1 1 397.500 4.035 20 0 GIADMM C[C@H](N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)(C)C ZINC000030424429 820615980 /nfs/dbraw/zinc/61/59/80/820615980.db2.gz SKYWOBANPJVFQF-AWEZNQCLSA-N -1 1 392.496 4.133 20 0 GIADMM C[C@@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000030424277 820616105 /nfs/dbraw/zinc/61/61/05/820616105.db2.gz JHHHEJFNMXPZRO-CQSZACIVSA-N -1 1 392.496 4.133 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 ZINC000030424267 820616153 /nfs/dbraw/zinc/61/61/53/820616153.db2.gz ADFQYDAUUIEBAM-MRXNPFEDSA-N -1 1 388.533 4.302 20 0 GIADMM C[C@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(C)(C)C ZINC000030424347 820616167 /nfs/dbraw/zinc/61/61/67/820616167.db2.gz VHKPPVZXFXKJKC-AWEZNQCLSA-N -1 1 392.496 4.133 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCCC1 ZINC000030476355 820621467 /nfs/dbraw/zinc/62/14/67/820621467.db2.gz MRBVXYNMRBFVOY-UHFFFAOYSA-N -1 1 386.517 4.282 20 0 GIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(Cc4ccccc4)s3)cs2)o1 ZINC000031273909 820784332 /nfs/dbraw/zinc/78/43/32/820784332.db2.gz XRUBDEFDTZQUDI-UHFFFAOYSA-N -1 1 382.470 4.406 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)ccc1F ZINC000031715897 820850644 /nfs/dbraw/zinc/85/06/44/820850644.db2.gz SONVOOJKTAATRI-HNNXBMFYSA-N -1 1 392.496 4.051 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000031786006 820859563 /nfs/dbraw/zinc/85/95/63/820859563.db2.gz QWFKVBTXCDPFTI-UHFFFAOYSA-N -1 1 398.865 4.296 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000032071791 820894191 /nfs/dbraw/zinc/89/41/91/820894191.db2.gz PRRCJHBLFXZDPP-INIZCTEOSA-N -1 1 388.533 4.365 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000032098186 820898062 /nfs/dbraw/zinc/89/80/62/820898062.db2.gz AVNBUXJKOMPVSP-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC1CCCC1 ZINC000032098544 820898244 /nfs/dbraw/zinc/89/82/44/820898244.db2.gz DSOBPEDFNXTBGO-UHFFFAOYSA-N -1 1 389.473 4.020 20 0 GIADMM Cc1ccc(NC(=O)CC2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000032150309 820899167 /nfs/dbraw/zinc/89/91/67/820899167.db2.gz BQCZZZNGUIYYLQ-UHFFFAOYSA-N -1 1 378.881 4.188 20 0 GIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccc1 ZINC000032369591 820927343 /nfs/dbraw/zinc/92/73/43/820927343.db2.gz OOMVFEMDPBVDJH-UHFFFAOYSA-N -1 1 398.459 4.293 20 0 GIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000032594829 820974613 /nfs/dbraw/zinc/97/46/13/820974613.db2.gz DAQUHQVUXBZVJI-UHFFFAOYSA-N -1 1 383.473 4.268 20 0 GIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000032599862 820976094 /nfs/dbraw/zinc/97/60/94/820976094.db2.gz PKEGLXIGKAPNAZ-UHFFFAOYSA-N -1 1 390.505 4.261 20 0 GIADMM O=C(/C=C/c1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401325 823523810 /nfs/dbraw/zinc/52/38/10/823523810.db2.gz CCHBRLNIJFFVMH-OUKQBFOZSA-N -1 1 396.443 4.278 20 0 GIADMM O=C(/C=C/c1ccccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401454 823523846 /nfs/dbraw/zinc/52/38/46/823523846.db2.gz YZWCZUQQNJVJKG-BUHFOSPRSA-N -1 1 396.443 4.278 20 0 GIADMM O=C(NCCC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033120831 821035606 /nfs/dbraw/zinc/03/56/06/821035606.db2.gz MWEGZAJHFSCZPJ-UHFFFAOYSA-N -1 1 386.517 4.188 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3oc(C(C)C)nc3c2)c(=O)[n-]1 ZINC000033217208 821049245 /nfs/dbraw/zinc/04/92/45/821049245.db2.gz GBEUTMBVDWWJDA-UHFFFAOYSA-N -1 1 386.477 4.048 20 0 GIADMM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000033914911 821061475 /nfs/dbraw/zinc/06/14/75/821061475.db2.gz TXBKGELEWGYMPO-UHFFFAOYSA-N -1 1 393.468 4.362 20 0 GIADMM O=C(Nc1cccc(I)c1)c1cc2ccccc2cc1[O-] ZINC000035160285 821064161 /nfs/dbraw/zinc/06/41/61/821064161.db2.gz ONWCPBLZUHUHIG-UHFFFAOYSA-N -1 1 389.192 4.402 20 0 GIADMM COc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000123682788 823531502 /nfs/dbraw/zinc/53/15/02/823531502.db2.gz LXBATMYNAZAJAM-UHFFFAOYSA-N -1 1 383.750 4.307 20 0 GIADMM O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc([O-])c(O)c1 ZINC000042180795 821279048 /nfs/dbraw/zinc/27/90/48/821279048.db2.gz FMRGPBCXULNBSB-UHFFFAOYSA-N -1 1 378.409 4.276 20 0 GIADMM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181087174 821625764 /nfs/dbraw/zinc/62/57/64/821625764.db2.gz FGZXUMNXGUCLDX-UHFFFAOYSA-N -1 1 396.440 4.112 20 0 GIADMM Cc1ncc(-c2ccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)cc2)o1 ZINC000044915329 821680484 /nfs/dbraw/zinc/68/04/84/821680484.db2.gz HUBGQDZUBIAISG-UHFFFAOYSA-N -1 1 397.485 4.271 20 0 GIADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(OCC(F)F)cc1 ZINC000181723449 821962064 /nfs/dbraw/zinc/96/20/64/821962064.db2.gz INODCWIJPISOEH-UHFFFAOYSA-N -1 1 395.349 4.236 20 0 GIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)cc(Br)cc1F ZINC000182689655 822351940 /nfs/dbraw/zinc/35/19/40/822351940.db2.gz CNXSKHLOBWAILJ-UHFFFAOYSA-N -1 1 385.212 4.076 20 0 GIADMM COc1ccc(N[C@H](C)c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000182733234 822359291 /nfs/dbraw/zinc/35/92/91/822359291.db2.gz MOVITJYLRWGBIM-CQSZACIVSA-N -1 1 386.473 4.500 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045059937 822360601 /nfs/dbraw/zinc/36/06/01/822360601.db2.gz GNAHVZRPJXKRRB-JKSUJKDBSA-N -1 1 383.410 4.182 20 0 GIADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CC1 ZINC000045369376 822381926 /nfs/dbraw/zinc/38/19/26/822381926.db2.gz MZGGBOQSTJTIJG-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000045416066 822386384 /nfs/dbraw/zinc/38/63/84/822386384.db2.gz YPVKJWOPAGIEOB-GFCCVEGCSA-N -1 1 379.913 4.018 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000182901730 822389212 /nfs/dbraw/zinc/38/92/12/822389212.db2.gz WCVGXAPIIDTEOU-UHFFFAOYSA-N -1 1 390.262 4.234 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cn(C)nc2-c2cccs2)c1 ZINC000182923202 822393415 /nfs/dbraw/zinc/39/34/15/822393415.db2.gz CHNDWFJTWDLSLQ-UHFFFAOYSA-N -1 1 392.278 4.177 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3ccccc3n2)cc1 ZINC000045631439 822401496 /nfs/dbraw/zinc/40/14/96/822401496.db2.gz YJBAHOIVXYPXAP-UHFFFAOYSA-N -1 1 389.484 4.493 20 0 GIADMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ncoc1-c1ccccc1Cl ZINC000183252669 822448859 /nfs/dbraw/zinc/44/88/59/822448859.db2.gz DQBRQDSSRYMMDS-UHFFFAOYSA-N -1 1 397.797 4.095 20 0 GIADMM CCOc1cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])ccc1OC(F)F ZINC000046268201 822457323 /nfs/dbraw/zinc/45/73/23/822457323.db2.gz JQIPLDGHWQRSQK-UHFFFAOYSA-N -1 1 385.794 4.318 20 0 GIADMM O=C(Nc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000046468848 822475950 /nfs/dbraw/zinc/47/59/50/822475950.db2.gz RZJRQVONTKYRHF-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591946 822489181 /nfs/dbraw/zinc/48/91/81/822489181.db2.gz GIHAUXDPXIZBPU-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)ccc1F ZINC000046611710 822492179 /nfs/dbraw/zinc/49/21/79/822492179.db2.gz RYMSDJWGTKRIPT-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CCOc1cc(C(=O)Nc2cnc(Br)c(C)c2)cc(Cl)c1[O-] ZINC000183552916 822493873 /nfs/dbraw/zinc/49/38/73/822493873.db2.gz MBHMSZQLQCWXLV-UHFFFAOYSA-N -1 1 385.645 4.163 20 0 GIADMM CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000454902597 822553733 /nfs/dbraw/zinc/55/37/33/822553733.db2.gz WAWBMGMLCWCSPF-OAHLLOKOSA-N -1 1 399.557 4.279 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000047285500 822562143 /nfs/dbraw/zinc/56/21/43/822562143.db2.gz YMTUFCRZINAOQH-UHFFFAOYSA-N -1 1 396.472 4.062 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184023433 822565931 /nfs/dbraw/zinc/56/59/31/822565931.db2.gz MBMDFYUDMZAPQN-SNVBAGLBSA-N -1 1 382.204 4.063 20 0 GIADMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000047367607 822571372 /nfs/dbraw/zinc/57/13/72/822571372.db2.gz HJHHULTZWMKBBF-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCCCCC1 ZINC000184146258 822585519 /nfs/dbraw/zinc/58/55/19/822585519.db2.gz DETSDYSUQDATHO-UHFFFAOYSA-N -1 1 387.505 4.285 20 0 GIADMM O=C(Nc1cccc(OC(F)F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047905411 822618213 /nfs/dbraw/zinc/61/82/13/822618213.db2.gz AXWCTIBAZZRKIF-UHFFFAOYSA-N -1 1 390.386 4.120 20 0 GIADMM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000048076154 822629566 /nfs/dbraw/zinc/62/95/66/822629566.db2.gz AOHFLNXUVNKFKA-UHFFFAOYSA-N -1 1 381.259 4.433 20 0 GIADMM CC1(C)CC=C(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000455312222 822632778 /nfs/dbraw/zinc/63/27/78/822632778.db2.gz WUQFSDYVPCEXMQ-UHFFFAOYSA-N -1 1 398.528 4.240 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(Br)c1 ZINC000180273617 822652326 /nfs/dbraw/zinc/65/23/26/822652326.db2.gz AMHKDFLDKFLVMY-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180329184 822664434 /nfs/dbraw/zinc/66/44/34/822664434.db2.gz FWWOLICTPDMUSM-UHFFFAOYSA-N -1 1 394.393 4.210 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1Cl ZINC000184808573 822693827 /nfs/dbraw/zinc/69/38/27/822693827.db2.gz YXFNFHJKHCHUJF-UHFFFAOYSA-N -1 1 384.910 4.130 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000180526226 822696267 /nfs/dbraw/zinc/69/62/67/822696267.db2.gz UOHFWILIFOTQRJ-GOSISDBHSA-N -1 1 397.368 4.136 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000180605597 822710556 /nfs/dbraw/zinc/71/05/56/822710556.db2.gz OZJLTJFEBKOMTG-HNNXBMFYSA-N -1 1 379.378 4.090 20 0 GIADMM Cc1ccc(NC(=O)N2CCCC2(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455765528 822722236 /nfs/dbraw/zinc/72/22/36/822722236.db2.gz HAFFYAMGBUBRTA-UHFFFAOYSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455780676 822725475 /nfs/dbraw/zinc/72/54/75/822725475.db2.gz XDIASSSWDARKNO-GOEBONIOSA-N -1 1 387.505 4.058 20 0 GIADMM CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455781891 822725578 /nfs/dbraw/zinc/72/55/78/822725578.db2.gz HDPSUUPWOAASQC-OAHLLOKOSA-N -1 1 375.494 4.024 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCC3(C)CC3)c2)c1 ZINC000455798340 822728506 /nfs/dbraw/zinc/72/85/06/822728506.db2.gz RPNYIDMYKWOMNC-UHFFFAOYSA-N -1 1 387.505 4.026 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc1-c1ccccc1 ZINC000185054350 822729934 /nfs/dbraw/zinc/72/99/34/822729934.db2.gz MQHXFBICJNSBBV-INIZCTEOSA-N -1 1 397.544 4.233 20 0 GIADMM CCN(C(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1 ZINC000185056033 822730109 /nfs/dbraw/zinc/73/01/09/822730109.db2.gz JADMYZSQNBVHKT-INIZCTEOSA-N -1 1 393.512 4.279 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc1-c1ccccc1 ZINC000185057313 822730271 /nfs/dbraw/zinc/73/02/71/822730271.db2.gz HZQLWZUSPQSJPP-OAHLLOKOSA-N -1 1 385.533 4.017 20 0 GIADMM Cc1c(=O)[n-]c(SCc2ccn(-c3ccc(F)cc3)n2)nc1-c1ccccc1 ZINC000185059756 822730720 /nfs/dbraw/zinc/73/07/20/822730720.db2.gz MNGPTSLZWZFHMR-UHFFFAOYSA-N -1 1 392.459 4.362 20 0 GIADMM Cc1nonc1[N-]C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000185588652 822799699 /nfs/dbraw/zinc/79/96/99/822799699.db2.gz UDWVQWLOFPQLMZ-UHFFFAOYSA-N -1 1 390.808 4.343 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000185744630 822816928 /nfs/dbraw/zinc/81/69/28/822816928.db2.gz XNOSTEJQGVWDHQ-UHFFFAOYSA-N -1 1 387.342 4.131 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000185958997 822837461 /nfs/dbraw/zinc/83/74/61/822837461.db2.gz PSVKCNYDEBFKAX-QGZVFWFLSA-N -1 1 396.270 4.311 20 0 GIADMM COc1cccc(-c2noc(CCn3c(=S)[n-]nc3-c3ccc(C)cc3)n2)c1 ZINC000174859346 822847484 /nfs/dbraw/zinc/84/74/84/822847484.db2.gz RDPZYJTYBJDJMX-UHFFFAOYSA-N -1 1 393.472 4.217 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000457291574 822863599 /nfs/dbraw/zinc/86/35/99/822863599.db2.gz FEBBHBFMLSSIKO-UHFFFAOYSA-N -1 1 391.855 4.146 20 0 GIADMM O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1cccc(CC(F)(F)F)c1 ZINC000186258913 822866031 /nfs/dbraw/zinc/86/60/31/822866031.db2.gz CQYXBJAUQKNJJF-UHFFFAOYSA-N -1 1 389.736 4.050 20 0 GIADMM COCCOc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000186275496 822868717 /nfs/dbraw/zinc/86/87/17/822868717.db2.gz SMCRJKLONJGKLM-LLVKDONJSA-N -1 1 384.245 4.492 20 0 GIADMM O=C([O-])[C@@H]1CN(Cc2cc(Br)cc(F)c2F)C[C@H]1c1ccccc1 ZINC000569127683 822882006 /nfs/dbraw/zinc/88/20/06/822882006.db2.gz CZYDRWISIPJAMK-LSDHHAIUSA-N -1 1 396.231 4.028 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000175122772 822886833 /nfs/dbraw/zinc/88/68/33/822886833.db2.gz VFKGQELZKOCFIF-UHFFFAOYSA-N -1 1 399.472 4.109 20 0 GIADMM Cc1sc(C2(NC(=O)c3cncc([O-])c3)CCC2)nc1-c1ccccc1F ZINC000569166295 822887210 /nfs/dbraw/zinc/88/72/10/822887210.db2.gz GZVKREIQDDQLHU-UHFFFAOYSA-N -1 1 383.448 4.167 20 0 GIADMM O=C(Cc1ccccc1OC1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000569208428 822893197 /nfs/dbraw/zinc/89/31/97/822893197.db2.gz WUORIJMUKXHKFV-UHFFFAOYSA-N -1 1 377.444 4.285 20 0 GIADMM CCS[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175255423 822915965 /nfs/dbraw/zinc/91/59/65/822915965.db2.gz JKERGPAIYKSCBL-HOTGVXAUSA-N -1 1 390.578 4.097 20 0 GIADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nccs1 ZINC000186685076 822936758 /nfs/dbraw/zinc/93/67/58/822936758.db2.gz AXLJCKFAXMBBSF-ZETCQYMHSA-N -1 1 385.725 4.185 20 0 GIADMM CCOc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000186764946 822951443 /nfs/dbraw/zinc/95/14/43/822951443.db2.gz RFCRMAKVVFNMIU-FUHWJXTLSA-N -1 1 375.852 4.094 20 0 GIADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000055315686 822951444 /nfs/dbraw/zinc/95/14/44/822951444.db2.gz IFYAKAFNZZWNHD-FOIQADDNSA-N -1 1 381.472 4.163 20 0 GIADMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2coc(-c3ccccc3)n2)[nH][n-]1 ZINC000569769656 822966269 /nfs/dbraw/zinc/96/62/69/822966269.db2.gz OJRAGZDQHSKYDQ-UHFFFAOYSA-N -1 1 394.818 4.068 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc(Cl)c1[O-] ZINC000186846825 822966738 /nfs/dbraw/zinc/96/67/38/822966738.db2.gz FCMIDFJRALHUAY-GWQKEKGPSA-N -1 1 395.908 4.015 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000186858063 822969105 /nfs/dbraw/zinc/96/91/05/822969105.db2.gz IAYREZOZWADKAV-MRXNPFEDSA-N -1 1 387.863 4.322 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000186864539 822970715 /nfs/dbraw/zinc/97/07/15/822970715.db2.gz GPYBCPOHHXHYSS-BDJLRTHQSA-N -1 1 381.881 4.108 20 0 GIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000055585978 822982564 /nfs/dbraw/zinc/98/25/64/822982564.db2.gz NGHMQIPMDJGTRF-UHFFFAOYSA-N -1 1 375.837 4.032 20 0 GIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000055619568 822988492 /nfs/dbraw/zinc/98/84/92/822988492.db2.gz QLPNUFDECNHWHA-UHFFFAOYSA-N -1 1 376.222 4.145 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000055633190 822990158 /nfs/dbraw/zinc/99/01/58/822990158.db2.gz DWMRIARDMNKBPX-UHFFFAOYSA-N -1 1 383.897 4.002 20 0 GIADMM O=S(=O)([N-]c1cccc(COCCOc2ccccc2)c1)c1ccccc1 ZINC000055633308 822990221 /nfs/dbraw/zinc/99/02/21/822990221.db2.gz XQAPBNGPOKZULG-UHFFFAOYSA-N -1 1 383.469 4.083 20 0 GIADMM CCOc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000186986494 822992798 /nfs/dbraw/zinc/99/27/98/822992798.db2.gz HBSVCHFDYVYJCW-MAUKXSAKSA-N -1 1 396.270 4.358 20 0 GIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000055650829 822993312 /nfs/dbraw/zinc/99/33/12/822993312.db2.gz JSEIIWRPLJBTIP-UHFFFAOYSA-N -1 1 386.517 4.066 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1NC(=O)c1ccccc1 ZINC000055663237 822995815 /nfs/dbraw/zinc/99/58/15/822995815.db2.gz KDWFWHLNUWIPGO-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C([O-])c1coc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000570100940 823005853 /nfs/dbraw/zinc/00/58/53/823005853.db2.gz ZMUFIYXSFAXJSI-HNNXBMFYSA-N -1 1 387.480 4.253 20 0 GIADMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000570240224 823018010 /nfs/dbraw/zinc/01/80/10/823018010.db2.gz PGQCLHJRKYDGIK-UHFFFAOYSA-N -1 1 397.443 4.309 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)[n-]c(=O)c1C ZINC000570293472 823023129 /nfs/dbraw/zinc/02/31/29/823023129.db2.gz PSJIDBMPBYQSKN-LLVKDONJSA-N -1 1 395.912 4.143 20 0 GIADMM CCOc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc(Br)c1O ZINC000187226762 823027708 /nfs/dbraw/zinc/02/77/08/823027708.db2.gz CBAHUIHWURTZIJ-XGICHPGQSA-N -1 1 375.218 4.081 20 0 GIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccc(C)cc1 ZINC000123938362 823553463 /nfs/dbraw/zinc/55/34/63/823553463.db2.gz QCIZAUVGJWNIRV-UHFFFAOYSA-N -1 1 393.468 4.378 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000124163752 823573543 /nfs/dbraw/zinc/57/35/43/823573543.db2.gz YTQPNXZFIPUBPU-IBGZPJMESA-N -1 1 392.528 4.322 20 0 GIADMM Cc1sc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc1-c1ccc(C)cc1 ZINC000124324643 823587208 /nfs/dbraw/zinc/58/72/08/823587208.db2.gz WPICIMNYXAOXLS-UHFFFAOYSA-N -1 1 396.516 4.368 20 0 GIADMM CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000124465492 823598830 /nfs/dbraw/zinc/59/88/30/823598830.db2.gz SGHKUPITSOQDLL-LBPRGKRZSA-N -1 1 396.896 4.134 20 0 GIADMM O=c1nc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)[n-]c2ccsc21 ZINC000411731768 823600767 /nfs/dbraw/zinc/60/07/67/823600767.db2.gz MCNYQOXPOGDPLT-CQSZACIVSA-N -1 1 385.880 4.264 20 0 GIADMM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000461239606 823602745 /nfs/dbraw/zinc/60/27/45/823602745.db2.gz FMABVQLQAFJBRV-QGZVFWFLSA-N -1 1 383.451 4.327 20 0 GIADMM C[C@@H]1CN(c2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000190946379 823628709 /nfs/dbraw/zinc/62/87/09/823628709.db2.gz QFLVCUDJGPDEHY-BETUJISGSA-N -1 1 375.856 4.303 20 0 GIADMM C/C=C(\CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000190963496 823631286 /nfs/dbraw/zinc/63/12/86/823631286.db2.gz VOUBRZNPQKAXCR-KGVSQERTSA-N -1 1 394.880 4.141 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@@H]1CC12CCCC2 ZINC000412294529 823643872 /nfs/dbraw/zinc/64/38/72/823643872.db2.gz WGVGCFBPYGZZCX-QMMMGPOBSA-N -1 1 389.087 4.436 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000063109864 823651717 /nfs/dbraw/zinc/65/17/17/823651717.db2.gz WQHMFYLVXWTFIP-INIZCTEOSA-N -1 1 396.668 4.022 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000063181393 823654631 /nfs/dbraw/zinc/65/46/31/823654631.db2.gz IWARZOWJHZAQNW-UHFFFAOYSA-N -1 1 380.441 4.139 20 0 GIADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1ccccc1-c1ccccc1 ZINC000063543584 823678569 /nfs/dbraw/zinc/67/85/69/823678569.db2.gz GBOABJBGNNCGCZ-UHFFFAOYSA-N -1 1 383.350 4.133 20 0 GIADMM CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc(Cl)c1[O-] ZINC000574332247 823704090 /nfs/dbraw/zinc/70/40/90/823704090.db2.gz TWGLDALMSVRKEE-MRXNPFEDSA-N -1 1 397.302 4.130 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)ccc1C(F)(F)F ZINC000574372225 823711908 /nfs/dbraw/zinc/71/19/08/823711908.db2.gz ATYNNWCYBOYMMX-UHFFFAOYSA-N -1 1 393.390 4.272 20 0 GIADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000163473411 823713165 /nfs/dbraw/zinc/71/31/65/823713165.db2.gz HPSNIWBWXSGQPE-DOTOQJQBSA-N -1 1 398.503 4.311 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nc1-c1ccccc1 ZINC000163925700 823761736 /nfs/dbraw/zinc/76/17/36/823761736.db2.gz MUWAUKCGOKSEJD-KXBFYZLASA-N -1 1 399.560 4.263 20 0 GIADMM CCOC(=O)[C@H](Cc1ccccc1)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163928334 823762016 /nfs/dbraw/zinc/76/20/16/823762016.db2.gz QCVULFZAEIEKPQ-SFHVURJKSA-N -1 1 394.496 4.012 20 0 GIADMM CCOC(=O)[C@@H](Cc1ccccc1)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163928224 823762085 /nfs/dbraw/zinc/76/20/85/823762085.db2.gz QCVULFZAEIEKPQ-GOSISDBHSA-N -1 1 394.496 4.012 20 0 GIADMM Cc1c(=O)[n-]c(SCc2noc(-c3cccs3)n2)nc1-c1ccccc1 ZINC000163934751 823762731 /nfs/dbraw/zinc/76/27/31/823762731.db2.gz QBACIANQHDLRKJ-UHFFFAOYSA-N -1 1 382.470 4.149 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163941407 823763180 /nfs/dbraw/zinc/76/31/80/823763180.db2.gz NXCWLOOODVQFKR-DOTOQJQBSA-N -1 1 385.533 4.017 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cc(F)ccc1F ZINC000126180108 823806431 /nfs/dbraw/zinc/80/64/31/823806431.db2.gz STSOSVQWFHOGID-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1F ZINC000462072844 823819811 /nfs/dbraw/zinc/81/98/11/823819811.db2.gz GKLXAQSJVPCCIJ-UHFFFAOYSA-N -1 1 395.477 4.359 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1 ZINC000064475534 823826002 /nfs/dbraw/zinc/82/60/02/823826002.db2.gz PVGOHFDZTSHGDR-UHFFFAOYSA-N -1 1 388.489 4.157 20 0 GIADMM COc1ccc(Sc2nsc([N-]C(=O)c3nc(C4CC4)oc3C)n2)cc1 ZINC000574839810 823839244 /nfs/dbraw/zinc/83/92/44/823839244.db2.gz NNAANKUFSUHCIC-UHFFFAOYSA-N -1 1 388.474 4.124 20 0 GIADMM Cc1occc1C(=O)Nc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000575095036 823911121 /nfs/dbraw/zinc/91/11/21/823911121.db2.gz VRHAPWPNKHBLOW-UHFFFAOYSA-N -1 1 390.317 4.216 20 0 GIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937613 823915174 /nfs/dbraw/zinc/91/51/74/823915174.db2.gz HJNWDOUTJYIOHL-UHFFFAOYSA-N -1 1 375.393 4.302 20 0 GIADMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1Br ZINC000192249786 823916347 /nfs/dbraw/zinc/91/63/47/823916347.db2.gz BBKYUZMGZALSQP-UHFFFAOYSA-N -1 1 399.628 4.239 20 0 GIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccccc3CC(F)(F)F)ccc21 ZINC000575211869 823940167 /nfs/dbraw/zinc/94/01/67/823940167.db2.gz RZKIEETWMVNNDE-UHFFFAOYSA-N -1 1 383.391 4.111 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)on1 ZINC000462392026 823957196 /nfs/dbraw/zinc/95/71/96/823957196.db2.gz GLQQVDQCLSAJJK-UHFFFAOYSA-N -1 1 394.390 4.215 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000414376786 823968487 /nfs/dbraw/zinc/96/84/87/823968487.db2.gz ARYPDDBNFNWYBI-AWEZNQCLSA-N -1 1 389.521 4.451 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000414376787 823968685 /nfs/dbraw/zinc/96/86/85/823968685.db2.gz ARYPDDBNFNWYBI-CQSZACIVSA-N -1 1 389.521 4.451 20 0 GIADMM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462421628 823969032 /nfs/dbraw/zinc/96/90/32/823969032.db2.gz QATRYTXQUQRKQH-ZETCQYMHSA-N -1 1 384.281 4.242 20 0 GIADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000414378184 823969379 /nfs/dbraw/zinc/96/93/79/823969379.db2.gz GEMQJAOTRIFJNA-INIZCTEOSA-N -1 1 391.880 4.177 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000414381869 823969876 /nfs/dbraw/zinc/96/98/76/823969876.db2.gz NKCVHIKRKWPXIZ-INIZCTEOSA-N -1 1 384.501 4.145 20 0 GIADMM CC[C@H](Cc1ccccc1)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000170810829 823977612 /nfs/dbraw/zinc/97/76/12/823977612.db2.gz CGLDKXIDACKIGH-OAHLLOKOSA-N -1 1 386.546 4.197 20 0 GIADMM CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000008470827 206223832 /nfs/dbraw/zinc/22/38/32/206223832.db2.gz WMMMJYUSEXKWQV-UHFFFAOYSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000008286939 206224970 /nfs/dbraw/zinc/22/49/70/206224970.db2.gz VYGZYMLFQQSJLC-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C([O-])c1ccc2c(c1)nc(CN1CCC[C@@H]1CCCc1ccccc1)[nH]c2=O ZINC000833325510 604678663 /nfs/dbraw/zinc/67/86/63/604678663.db2.gz QSYDLXMQQQHAAD-SFHVURJKSA-N -1 1 391.471 4.021 20 0 GIADMM Cc1cc(C)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000175958634 823082205 /nfs/dbraw/zinc/08/22/05/823082205.db2.gz XNKYVFRJOYUNFP-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000176170200 823143347 /nfs/dbraw/zinc/14/33/47/823143347.db2.gz QKDVVHDFMZNGMK-UHFFFAOYSA-N -1 1 389.864 4.045 20 0 GIADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000571392214 823176784 /nfs/dbraw/zinc/17/67/84/823176784.db2.gz OTWTZXXGTVMQHX-UHFFFAOYSA-N -1 1 380.203 4.157 20 0 GIADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000571530276 823196516 /nfs/dbraw/zinc/19/65/16/823196516.db2.gz NRRDHBYCBKPFCB-SFHVURJKSA-N -1 1 383.341 4.457 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000176421678 823204881 /nfs/dbraw/zinc/20/48/81/823204881.db2.gz FYFUQDQRRICGJN-UHFFFAOYSA-N -1 1 382.508 4.009 20 0 GIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000188328610 823220287 /nfs/dbraw/zinc/22/02/87/823220287.db2.gz RDPYRIRAYBHTJA-UHFFFAOYSA-N -1 1 378.519 4.194 20 0 GIADMM Cc1ccccc1-n1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1C(F)(F)F ZINC000188345684 823223295 /nfs/dbraw/zinc/22/32/95/823223295.db2.gz ZDEUSRXAGUURHA-UHFFFAOYSA-N -1 1 396.756 4.206 20 0 GIADMM CCSCC[C@H](C)N(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000176520504 823228108 /nfs/dbraw/zinc/22/81/08/823228108.db2.gz ZXRNXFPWRCUQDJ-HNNXBMFYSA-N -1 1 392.594 4.296 20 0 GIADMM Cc1ccccc1CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931616 823232169 /nfs/dbraw/zinc/23/21/69/823232169.db2.gz XEFJFAPECQYLFT-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM C[C@H]1CC[C@@H](CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)O1 ZINC000176585372 823242089 /nfs/dbraw/zinc/24/20/89/823242089.db2.gz DPNNEYXTHDMZSH-ZFWWWQNUSA-N -1 1 398.484 4.043 20 0 GIADMM CCc1nc(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000571896521 823250741 /nfs/dbraw/zinc/25/07/41/823250741.db2.gz DGNVIOMUMSCQRE-GFCCVEGCSA-N -1 1 379.913 4.018 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c(C)c1 ZINC000000629245 817373094 /nfs/dbraw/zinc/37/30/94/817373094.db2.gz VPLCBKACJIAVJO-UHFFFAOYSA-N -1 1 383.498 4.480 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1Br ZINC000176700112 823271024 /nfs/dbraw/zinc/27/10/24/823271024.db2.gz NSIGAUVNHHVHPC-UHFFFAOYSA-N -1 1 392.221 4.196 20 0 GIADMM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000188637590 823278147 /nfs/dbraw/zinc/27/81/47/823278147.db2.gz RMYYWFCNLHGGHL-GFCCVEGCSA-N -1 1 388.183 4.231 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000007052245 817747465 /nfs/dbraw/zinc/74/74/65/817747465.db2.gz QPDNZPPEGFOAEX-UHFFFAOYSA-N -1 1 381.453 4.269 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000007053970 817748171 /nfs/dbraw/zinc/74/81/71/817748171.db2.gz HTFUXCJNSXIQKD-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM Cc1cccc(-c2nn(Cc3ccccc3)cc2C=C2SC(=O)[N-]C2=O)c1 ZINC000007154992 817773794 /nfs/dbraw/zinc/77/37/94/817773794.db2.gz HIKYVGZGHONPDG-WQRHYEAKSA-N -1 1 375.453 4.231 20 0 GIADMM Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000007154963 817773924 /nfs/dbraw/zinc/77/39/24/817773924.db2.gz QDPHXIMXPVURPR-YVLHZVERSA-N -1 1 379.416 4.311 20 0 GIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000007387703 817828635 /nfs/dbraw/zinc/82/86/35/817828635.db2.gz HKUSIUSPYLPZPX-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)ccc3C)cc2s1 ZINC000007419836 817836661 /nfs/dbraw/zinc/83/66/61/817836661.db2.gz MVOUKXDJGLBPDO-UHFFFAOYSA-N -1 1 397.319 4.476 20 0 GIADMM O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc([O-])cc1 ZINC000007454429 817845353 /nfs/dbraw/zinc/84/53/53/817845353.db2.gz ZWJNEBGUIWPPGH-UHFFFAOYSA-N -1 1 391.246 4.180 20 0 GIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)cc1 ZINC000572184303 823296279 /nfs/dbraw/zinc/29/62/79/823296279.db2.gz VBAKTJRZBCTOJO-UHFFFAOYSA-N -1 1 383.473 4.268 20 0 GIADMM O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1c(F)ccc([O-])c1F ZINC000572205577 823300199 /nfs/dbraw/zinc/30/01/99/823300199.db2.gz QBSUTIZLJWDVPS-UHFFFAOYSA-N -1 1 381.378 4.202 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000008033583 817986864 /nfs/dbraw/zinc/98/68/64/817986864.db2.gz YMHOUWHHMJRLKU-OXJNMPFZSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008240131 818021643 /nfs/dbraw/zinc/02/16/43/818021643.db2.gz GICPIWUEJMDFJZ-UHFFFAOYSA-N -1 1 394.496 4.068 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2C[C@@H]1C ZINC000011175025 818059332 /nfs/dbraw/zinc/05/93/32/818059332.db2.gz LIIJXWPQKCIBNH-JTQLQIEISA-N -1 1 399.299 4.092 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000011193795 818060261 /nfs/dbraw/zinc/06/02/61/818060261.db2.gz UFASDEMUPSXVSB-UHFFFAOYSA-N -1 1 392.528 4.154 20 0 GIADMM COc1cc(CN(C)C(=O)c2ccc(Br)cc2[O-])ccc1SC ZINC000057558919 823309675 /nfs/dbraw/zinc/30/96/75/823309675.db2.gz YEWFYMXJIQWVFE-UHFFFAOYSA-N -1 1 396.306 4.157 20 0 GIADMM COc1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc(Cl)c1[O-] ZINC000460186895 823310106 /nfs/dbraw/zinc/31/01/06/823310106.db2.gz NUCHSBNUHUYBAP-HNNXBMFYSA-N -1 1 397.805 4.463 20 0 GIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000011518810 818091597 /nfs/dbraw/zinc/09/15/97/818091597.db2.gz IZAAWLXPDIRPHQ-UHFFFAOYSA-N -1 1 398.488 4.333 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000012829146 818184882 /nfs/dbraw/zinc/18/48/82/818184882.db2.gz IYHXLNBNDGMKLK-UHFFFAOYSA-N -1 1 399.545 4.280 20 0 GIADMM COc1cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc(Cl)c1[O-] ZINC000460210477 823318178 /nfs/dbraw/zinc/31/81/78/823318178.db2.gz IEDWWSBSQHQOIS-GOSISDBHSA-N -1 1 389.879 4.268 20 0 GIADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000015339968 818314906 /nfs/dbraw/zinc/31/49/06/818314906.db2.gz KJUGPFXRMFDNBW-OAHLLOKOSA-N -1 1 398.459 4.118 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1F ZINC000015349123 818315335 /nfs/dbraw/zinc/31/53/35/818315335.db2.gz SPWCEAYJNRJBPA-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000015352997 818315766 /nfs/dbraw/zinc/31/57/66/818315766.db2.gz BMYSCWQQRNXPPX-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM O=C(Nc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016305162 818420391 /nfs/dbraw/zinc/42/03/91/818420391.db2.gz SQDDUPCXGPHCHK-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000016597330 818457471 /nfs/dbraw/zinc/45/74/71/818457471.db2.gz QCNFLZSYCXXYRL-UHFFFAOYSA-N -1 1 381.505 4.011 20 0 GIADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000572434017 823338300 /nfs/dbraw/zinc/33/83/00/823338300.db2.gz BRACGEJVFVTKJK-QGZVFWFLSA-N -1 1 378.266 4.153 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017442778 818515238 /nfs/dbraw/zinc/51/52/38/818515238.db2.gz MELOATCYAMOQCH-UHFFFAOYSA-N -1 1 394.924 4.403 20 0 GIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)c1c[nH]c2ccccc12 ZINC000017522910 818518506 /nfs/dbraw/zinc/51/85/06/818518506.db2.gz IXSLVZCJTWZOLT-UHFFFAOYSA-N -1 1 383.407 4.451 20 0 GIADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3ccccc3cc2[O-])c(C)c1 ZINC000017962113 818536353 /nfs/dbraw/zinc/53/63/53/818536353.db2.gz LUDDKTAHGZLYSA-UHFFFAOYSA-N -1 1 376.456 4.181 20 0 GIADMM CCCN(CCC)C(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000021221039 818665812 /nfs/dbraw/zinc/66/58/12/818665812.db2.gz CJBXFUWIDQOKIM-UHFFFAOYSA-N -1 1 376.526 4.045 20 0 GIADMM O=c1cc(CSc2nnc(-c3cccc(Cl)c3)o2)c2ccc([O-])cc2o1 ZINC000021548059 818702541 /nfs/dbraw/zinc/70/25/41/818702541.db2.gz LYFSDWFRPIQGNJ-UHFFFAOYSA-N -1 1 386.816 4.494 20 0 GIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1F ZINC000021874433 818750812 /nfs/dbraw/zinc/75/08/12/818750812.db2.gz OYWRFKQWEYKJHN-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCc1cc2c(COC(=O)CSc3ccccc3C)cc(=O)oc2cc1[O-] ZINC000058084091 823360943 /nfs/dbraw/zinc/36/09/43/823360943.db2.gz SNJMEUHWGQYAIG-UHFFFAOYSA-N -1 1 384.453 4.205 20 0 GIADMM COc1ccc(-c2cc3[n-]c(CN(C)Cc4ccccc4)nc(=O)c3s2)cc1 ZINC000022010000 818762995 /nfs/dbraw/zinc/76/29/95/818762995.db2.gz RCYVMLMCGGLRNQ-UHFFFAOYSA-N -1 1 391.496 4.292 20 0 GIADMM CC(C)(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000058143081 823364446 /nfs/dbraw/zinc/36/44/46/823364446.db2.gz FNHFIIFPEDEPIX-UHFFFAOYSA-N -1 1 394.496 4.404 20 0 GIADMM CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000058142879 823364697 /nfs/dbraw/zinc/36/46/97/823364697.db2.gz PKLQESREKRZOQE-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM Cn1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C2CCCCC2)n1 ZINC000572593604 823366826 /nfs/dbraw/zinc/36/68/26/823366826.db2.gz GFHZTEFXBDGJHN-UHFFFAOYSA-N -1 1 381.929 4.106 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000022863264 818867511 /nfs/dbraw/zinc/86/75/11/818867511.db2.gz ARUOJCLBFROEOM-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1C ZINC000024103264 819024608 /nfs/dbraw/zinc/02/46/08/819024608.db2.gz ALWQNTZUDNYDSU-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccc(F)cc1 ZINC000122622916 823383219 /nfs/dbraw/zinc/38/32/19/823383219.db2.gz IQUTVAZBLIHIAS-UHFFFAOYSA-N -1 1 397.431 4.208 20 0 GIADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1csc(-c2ncccn2)n1 ZINC000122675814 823392339 /nfs/dbraw/zinc/39/23/39/823392339.db2.gz DGDCPOMOYPGJCX-UHFFFAOYSA-N -1 1 396.419 4.349 20 0 GIADMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058495213 823399967 /nfs/dbraw/zinc/39/99/67/823399967.db2.gz CNNICMXHIMBWND-UHFFFAOYSA-N -1 1 376.865 4.027 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC3(C)C)cc2)c1 ZINC000572867260 823411599 /nfs/dbraw/zinc/41/15/99/823411599.db2.gz JXIHGPBCAZFKIP-IBGZPJMESA-N -1 1 386.517 4.023 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1)c1ccoc1 ZINC000573008506 823432758 /nfs/dbraw/zinc/43/27/58/823432758.db2.gz KZHCHBQVZGHBRK-UHFFFAOYSA-N -1 1 392.383 4.270 20 0 GIADMM Cc1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000024635669 819857927 /nfs/dbraw/zinc/85/79/27/819857927.db2.gz YGYYFOQFXOVUCK-UHFFFAOYSA-N -1 1 380.517 4.273 20 0 GIADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000025472211 819987830 /nfs/dbraw/zinc/98/78/30/819987830.db2.gz RBPGZCKOSQLJBS-ZDUSSCGKSA-N -1 1 392.908 4.011 20 0 GIADMM C[C@H](C1CC1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000025512648 819993109 /nfs/dbraw/zinc/99/31/09/819993109.db2.gz YIGIPWSZYQIDDZ-CYBMUJFWSA-N -1 1 392.908 4.011 20 0 GIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000025741523 820020526 /nfs/dbraw/zinc/02/05/26/820020526.db2.gz NJOYOQNQVOVSSK-UHFFFAOYSA-N -1 1 386.517 4.351 20 0 GIADMM C[C@@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000573090224 823445850 /nfs/dbraw/zinc/44/58/50/823445850.db2.gz XMRROVYOOSIWFJ-QFIXIFRTSA-N -1 1 376.456 4.135 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1C ZINC000122998718 823446047 /nfs/dbraw/zinc/44/60/47/823446047.db2.gz XJCZBVSWUDQHSY-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(O)c3)cc2)c1 ZINC000123012741 823447889 /nfs/dbraw/zinc/44/78/89/823447889.db2.gz PSVIXXOEWUGWKU-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM O=C(CSc1nccn1-c1ccc(Br)cc1)c1ccc([O-])cc1 ZINC000026046991 820053036 /nfs/dbraw/zinc/05/30/36/820053036.db2.gz PGEQFCSZOLTRJA-UHFFFAOYSA-N -1 1 389.274 4.315 20 0 GIADMM CCOc1cc(C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc(Cl)c1[O-] ZINC000573125178 823450368 /nfs/dbraw/zinc/45/03/68/823450368.db2.gz YSBDDOIWPFIAHK-UHFFFAOYSA-N -1 1 392.761 4.116 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)co1 ZINC000026540231 820110920 /nfs/dbraw/zinc/11/09/20/820110920.db2.gz FBJHWSWATNKXNZ-UHFFFAOYSA-N -1 1 398.362 4.349 20 0 GIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000026536227 820111301 /nfs/dbraw/zinc/11/13/01/820111301.db2.gz JDJSZXUEJYLCTA-UHFFFAOYSA-N -1 1 389.498 4.241 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2F)c1 ZINC000027494235 820253546 /nfs/dbraw/zinc/25/35/46/820253546.db2.gz GXHWRIPYSOSNCV-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4oc(C)nc4c3)c2)n1 ZINC000410328900 823464696 /nfs/dbraw/zinc/46/46/96/823464696.db2.gz OXRWJAMBUMARHF-UHFFFAOYSA-N -1 1 385.470 4.369 20 0 GIADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000028249848 820320402 /nfs/dbraw/zinc/32/04/02/820320402.db2.gz BIQPPHFGSPTOOA-UHFFFAOYSA-N -1 1 381.453 4.249 20 0 GIADMM COCCOc1c(Cl)cc(NC(=O)c2c(F)ccc([O-])c2F)cc1Cl ZINC000573249739 823470520 /nfs/dbraw/zinc/47/05/20/823470520.db2.gz YOXJZGOYROHMCO-UHFFFAOYSA-N -1 1 392.185 4.255 20 0 GIADMM CC(C)Cc1nnc([N-]C(=O)c2csc(COc3ccc(F)cc3)n2)s1 ZINC000029514152 820467024 /nfs/dbraw/zinc/46/70/24/820467024.db2.gz SQAUMBBCUAQZDN-UHFFFAOYSA-N -1 1 392.481 4.164 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCCC3)ccc2C)c1 ZINC000029923705 820549393 /nfs/dbraw/zinc/54/93/93/820549393.db2.gz WEBQFBPLIWQHTL-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c2)c1 ZINC000030015162 820569709 /nfs/dbraw/zinc/56/97/09/820569709.db2.gz UHHMUAPYNKKVMM-CRAIPNDOSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)cc1Cl ZINC000410419601 823492012 /nfs/dbraw/zinc/49/20/12/823492012.db2.gz PXFZEEAOJRQYRQ-UHFFFAOYSA-N -1 1 375.881 4.158 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1 ZINC000060059858 823506121 /nfs/dbraw/zinc/50/61/21/823506121.db2.gz XCOJWZZTDRWNMX-UHFFFAOYSA-N -1 1 387.486 4.199 20 0 GIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccsc4)s3)cs2)n1C ZINC000123367181 823502231 /nfs/dbraw/zinc/50/22/31/823502231.db2.gz FQHWQQNKCRBFRK-UHFFFAOYSA-N -1 1 387.515 4.289 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000031382201 820801103 /nfs/dbraw/zinc/80/11/03/820801103.db2.gz IKPLMTWRWKUNJF-YOEHRIQHSA-N -1 1 388.537 4.043 20 0 GIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc32)c(Cl)cc1F ZINC000060211009 823511882 /nfs/dbraw/zinc/51/18/82/823511882.db2.gz ABJASBTUUQJPJH-UHFFFAOYSA-N -1 1 379.796 4.131 20 0 GIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000031669197 820841888 /nfs/dbraw/zinc/84/18/88/820841888.db2.gz WVRZGWMXZBDCAQ-UHFFFAOYSA-N -1 1 386.395 4.101 20 0 GIADMM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c1 ZINC000031721604 820851071 /nfs/dbraw/zinc/85/10/71/820851071.db2.gz WPBKIIHPWYCWBN-UHFFFAOYSA-N -1 1 377.418 4.053 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000031722129 820851348 /nfs/dbraw/zinc/85/13/48/820851348.db2.gz CABZZMMENLIDCE-MRXNPFEDSA-N -1 1 388.533 4.068 20 0 GIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)ccc2[nH]1 ZINC000031721907 820851748 /nfs/dbraw/zinc/85/17/48/820851748.db2.gz FVDXFBZLKKATBZ-UHFFFAOYSA-N -1 1 379.279 4.348 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc3ncccc32)c1 ZINC000032061101 820892886 /nfs/dbraw/zinc/89/28/86/820892886.db2.gz STIUOOOVMIKYIN-UHFFFAOYSA-N -1 1 375.457 4.103 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000032071904 820893695 /nfs/dbraw/zinc/89/36/95/820893695.db2.gz IBFNZZYKEXCPQO-KRWDZBQOSA-N -1 1 388.533 4.365 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000032097276 820897433 /nfs/dbraw/zinc/89/74/33/820897433.db2.gz QNAACFSXOBLCBU-UHFFFAOYSA-N -1 1 398.362 4.405 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1OC1CCCC1 ZINC000032098543 820897937 /nfs/dbraw/zinc/89/79/37/820897937.db2.gz NZKQNDSLYYSKJY-UHFFFAOYSA-N -1 1 375.490 4.434 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCCc3c(C)ccc(Cl)c32)c(=O)[n-]1 ZINC000411080343 823542470 /nfs/dbraw/zinc/54/24/70/823542470.db2.gz IWWREMPUDTWLNZ-UHFFFAOYSA-N -1 1 391.924 4.086 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(F)c2ncccc12 ZINC000032595213 820975272 /nfs/dbraw/zinc/97/52/72/820975272.db2.gz TYEADSWZSGDIGG-UHFFFAOYSA-N -1 1 383.404 4.193 20 0 GIADMM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000060358720 823519452 /nfs/dbraw/zinc/51/94/52/823519452.db2.gz QMFJYLQACYTHJC-TUTDSIAXSA-N -1 1 387.867 4.217 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCC2 ZINC000060401412 823523789 /nfs/dbraw/zinc/52/37/89/823523789.db2.gz GNAPSKKJEGZDIZ-UHFFFAOYSA-N -1 1 392.480 4.228 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000033889172 821060734 /nfs/dbraw/zinc/06/07/34/821060734.db2.gz QSDAZILBIGVYPY-UHFFFAOYSA-N -1 1 380.897 4.397 20 0 GIADMM CCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000036703351 821077551 /nfs/dbraw/zinc/07/75/51/821077551.db2.gz YEDLZDSHIDATSS-UHFFFAOYSA-N -1 1 392.496 4.245 20 0 GIADMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460835899 823525650 /nfs/dbraw/zinc/52/56/50/823525650.db2.gz HVXGDCDAUXATKB-UHFFFAOYSA-N -1 1 393.530 4.017 20 0 GIADMM C[C@H](CCc1ccccc1)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042928725 821345616 /nfs/dbraw/zinc/34/56/16/821345616.db2.gz NXHNJFGLXAPCFG-QGZVFWFLSA-N -1 1 380.488 4.018 20 0 GIADMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000043181927 821375125 /nfs/dbraw/zinc/37/51/25/821375125.db2.gz GRSYSGYGTKQFCN-AWEZNQCLSA-N -1 1 386.879 4.411 20 0 GIADMM Cc1ccc(-c2noc([C@@H](C)SCCC[N-]C(=O)C(F)(F)F)n2)cc1F ZINC000180780657 821453164 /nfs/dbraw/zinc/45/31/64/821453164.db2.gz DQDDUAWISGPJIL-SNVBAGLBSA-N -1 1 391.390 4.047 20 0 GIADMM CCCOc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000044204651 821545734 /nfs/dbraw/zinc/54/57/34/821545734.db2.gz IGKFXWDKLCXNAL-UHFFFAOYSA-N -1 1 382.460 4.308 20 0 GIADMM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000044369526 821579533 /nfs/dbraw/zinc/57/95/33/821579533.db2.gz BLASVKWFVWHVRB-UHFFFAOYSA-N -1 1 382.847 4.262 20 0 GIADMM CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000044545157 821605501 /nfs/dbraw/zinc/60/55/01/821605501.db2.gz ZRKXWADHJBBHOZ-UHFFFAOYSA-N -1 1 392.908 4.074 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC000181213429 821700945 /nfs/dbraw/zinc/70/09/45/821700945.db2.gz LQQFAUYSXVCRAJ-UHFFFAOYSA-N -1 1 393.223 4.112 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3F)cc2)cc1 ZINC000181672560 821937203 /nfs/dbraw/zinc/93/72/03/821937203.db2.gz DFFHEEVLPVIKIP-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc([O-])cc1F ZINC000181902156 822031926 /nfs/dbraw/zinc/03/19/26/822031926.db2.gz LNABHXQUEMHIPG-UHFFFAOYSA-N -1 1 390.842 4.500 20 0 GIADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182026588 822066767 /nfs/dbraw/zinc/06/67/67/822066767.db2.gz YEDSFGPQNXWODZ-UHFFFAOYSA-N -1 1 392.377 4.208 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccncc1)Cc1cccnc1 ZINC000182032529 822068415 /nfs/dbraw/zinc/06/84/15/822068415.db2.gz NCHNFYGRGGSEAI-UHFFFAOYSA-N -1 1 387.361 4.044 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c2ccccc12 ZINC000182321158 822201754 /nfs/dbraw/zinc/20/17/54/822201754.db2.gz JBWZYABKQWZPFD-UHFFFAOYSA-N -1 1 393.468 4.091 20 0 GIADMM CCS[C@@H]1CCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000178113344 822323868 /nfs/dbraw/zinc/32/38/68/822323868.db2.gz PJHPYPGGXZUOKO-HZPDHXFCSA-N -1 1 390.578 4.097 20 0 GIADMM COc1ccc(N[C@@H](C)c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000182733215 822359267 /nfs/dbraw/zinc/35/92/67/822359267.db2.gz MOVITJYLRWGBIM-AWEZNQCLSA-N -1 1 386.473 4.500 20 0 GIADMM COc1ccc(N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N-]S(C)(=O)=O ZINC000182735195 822359675 /nfs/dbraw/zinc/35/96/75/822359675.db2.gz CLDWFKMOVRZVKY-CQSZACIVSA-N -1 1 398.937 4.369 20 0 GIADMM COc1ccc(N[C@@H](C)c2sc(C(C)C)nc2C)cc1[N-]S(C)(=O)=O ZINC000182734928 822359724 /nfs/dbraw/zinc/35/97/24/822359724.db2.gz SYPAYOGAMPXDIS-NSHDSACASA-N -1 1 383.539 4.128 20 0 GIADMM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000182828795 822374298 /nfs/dbraw/zinc/37/42/98/822374298.db2.gz WLGXAQGENJUWII-HNNXBMFYSA-N -1 1 399.472 4.305 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)cccc1I ZINC000182861058 822380919 /nfs/dbraw/zinc/38/09/19/822380919.db2.gz XSDWBRKBDJKTHA-UHFFFAOYSA-N -1 1 391.567 4.042 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182866849 822382052 /nfs/dbraw/zinc/38/20/52/822382052.db2.gz LKPHEZXCFDTEDN-AWEZNQCLSA-N -1 1 389.377 4.238 20 0 GIADMM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182875615 822383911 /nfs/dbraw/zinc/38/39/11/822383911.db2.gz LBHSPOGGRPUDJA-UHFFFAOYSA-N -1 1 376.840 4.426 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc(C3CCCC3)no2)c1 ZINC000182907397 822390482 /nfs/dbraw/zinc/39/04/82/822390482.db2.gz YXSQBXYXMTYSMX-UHFFFAOYSA-N -1 1 394.269 4.075 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1 ZINC000182908343 822390648 /nfs/dbraw/zinc/39/06/48/822390648.db2.gz SFBZADMLIMUTCD-UHFFFAOYSA-N -1 1 386.677 4.226 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000182910496 822391163 /nfs/dbraw/zinc/39/11/63/822391163.db2.gz XCNDAFFHIXBTEQ-UHFFFAOYSA-N -1 1 389.249 4.064 20 0 GIADMM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000182921045 822392985 /nfs/dbraw/zinc/39/29/85/822392985.db2.gz MONAYIGIMRJUHX-VIFPVBQESA-N -1 1 385.283 4.188 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cn(C)nc2-c2ccccc2)c1 ZINC000182930111 822394926 /nfs/dbraw/zinc/39/49/26/822394926.db2.gz MPSAKTZKZFSQQK-UHFFFAOYSA-N -1 1 386.249 4.116 20 0 GIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc4c(s3)COc3ccccc3-4)c21 ZINC000178861988 822417330 /nfs/dbraw/zinc/41/73/30/822417330.db2.gz KDLIMUKMNJZBHF-UHFFFAOYSA-N -1 1 378.413 4.493 20 0 GIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc(-c4ccc5c(c4)OCO5)cs3)c21 ZINC000178862200 822417345 /nfs/dbraw/zinc/41/73/45/822417345.db2.gz JWZBXXGOQUCMQK-UHFFFAOYSA-N -1 1 394.412 4.330 20 0 GIADMM CCSc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000178955993 822424376 /nfs/dbraw/zinc/42/43/76/822424376.db2.gz ZNEANILLDLOZDL-UHFFFAOYSA-N -1 1 398.509 4.343 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(NC(=O)OC(C)(C)C)ccc2C)c1 ZINC000179175687 822447215 /nfs/dbraw/zinc/44/72/15/822447215.db2.gz RVNGWTSAXAMWKG-UHFFFAOYSA-N -1 1 376.478 4.451 20 0 GIADMM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000046588526 822489097 /nfs/dbraw/zinc/48/90/97/822489097.db2.gz DLFJVOYYPZWZKH-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000046591974 822489512 /nfs/dbraw/zinc/48/95/12/822489512.db2.gz HUWGMWCLMMBQPS-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM O=C(/C=C/c1ccsc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611645 822491962 /nfs/dbraw/zinc/49/19/62/822491962.db2.gz MGFBBGPRLAARFY-MDZDMXLPSA-N -1 1 384.482 4.201 20 0 GIADMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)cc1 ZINC000046704775 822507229 /nfs/dbraw/zinc/50/72/29/822507229.db2.gz XANHZVVAKGDDML-UHFFFAOYSA-N -1 1 396.424 4.435 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000046817585 822520989 /nfs/dbraw/zinc/52/09/89/822520989.db2.gz CXKAIQWBFLVZGJ-UHFFFAOYSA-N -1 1 384.480 4.104 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000179778162 822551052 /nfs/dbraw/zinc/55/10/52/822551052.db2.gz WVQSWZIHLXFYHT-ZBFHGGJFSA-N -1 1 394.309 4.299 20 0 GIADMM COc1ccc(NC2c3ccccc3-c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000183944572 822551632 /nfs/dbraw/zinc/55/16/32/822551632.db2.gz BCFGGAJNFCUZQJ-UHFFFAOYSA-N -1 1 380.469 4.249 20 0 GIADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000047211499 822554687 /nfs/dbraw/zinc/55/46/87/822554687.db2.gz OWJYXCBOGFUIQW-UHFFFAOYSA-N -1 1 387.770 4.103 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc(Cl)c1[O-] ZINC000184026066 822566872 /nfs/dbraw/zinc/56/68/72/822566872.db2.gz YPPJXTSFJGXQFQ-NSHDSACASA-N -1 1 381.806 4.352 20 0 GIADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000047465965 822581939 /nfs/dbraw/zinc/58/19/39/822581939.db2.gz MAKULUYJOKZKJK-MEDUHNTESA-N -1 1 398.406 4.101 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1Cc2ccccc2C1 ZINC000184149103 822585954 /nfs/dbraw/zinc/58/59/54/822585954.db2.gz QKVPYSRHWSULJA-UHFFFAOYSA-N -1 1 393.468 4.035 20 0 GIADMM CCOc1cc(C)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047764603 822607587 /nfs/dbraw/zinc/60/75/87/822607587.db2.gz JXWWESIUTGUVGB-UHFFFAOYSA-N -1 1 382.460 4.226 20 0 GIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000180123279 822619952 /nfs/dbraw/zinc/61/99/52/822619952.db2.gz LZKJRTCBGPDLIG-UHFFFAOYSA-N -1 1 391.232 4.019 20 0 GIADMM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180339881 822666335 /nfs/dbraw/zinc/66/63/35/822666335.db2.gz WNELGCOQFADZCY-UHFFFAOYSA-N -1 1 391.798 4.192 20 0 GIADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000048653452 822677030 /nfs/dbraw/zinc/67/70/30/822677030.db2.gz NAWDUVYKPYOORF-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM CN(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180413986 822677601 /nfs/dbraw/zinc/67/76/01/822677601.db2.gz WLWKMAWNFOKBCF-UHFFFAOYSA-N -1 1 378.394 4.152 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000184788583 822691107 /nfs/dbraw/zinc/69/11/07/822691107.db2.gz XQGZOCAZIWTPKH-UHFFFAOYSA-N -1 1 396.921 4.211 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1Cl ZINC000184814833 822694775 /nfs/dbraw/zinc/69/47/75/822694775.db2.gz HXYDQIJQTYSZAX-UHFFFAOYSA-N -1 1 398.937 4.001 20 0 GIADMM O=C(Nc1ccc(-c2nc(-c3ccccn3)no2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000184838967 822698141 /nfs/dbraw/zinc/69/81/41/822698141.db2.gz JAWXBRFMXSLGQX-UHFFFAOYSA-N -1 1 394.337 4.035 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000184847849 822699874 /nfs/dbraw/zinc/69/98/74/822699874.db2.gz MZJUYDJNKJCSBA-UHFFFAOYSA-N -1 1 396.921 4.138 20 0 GIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]2CCCC[C@@H]21 ZINC000180556102 822701607 /nfs/dbraw/zinc/70/16/07/822701607.db2.gz GPWMBQVCXWXHJM-MAODMQOUSA-N -1 1 398.528 4.138 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccccc32)c1 ZINC000184922388 822713589 /nfs/dbraw/zinc/71/35/89/822713589.db2.gz PNWJDFRPXWZKBP-UHFFFAOYSA-N -1 1 387.395 4.346 20 0 GIADMM CC[C@@H](C)N(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000455788444 822726835 /nfs/dbraw/zinc/72/68/35/822726835.db2.gz KUXZISONYBIGDQ-MRXNPFEDSA-N -1 1 389.521 4.366 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NC3CCCC3)c2)c1 ZINC000455797161 822728344 /nfs/dbraw/zinc/72/83/44/822728344.db2.gz QNIYJGJPHQHXHP-UHFFFAOYSA-N -1 1 387.505 4.168 20 0 GIADMM Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000185049215 822729277 /nfs/dbraw/zinc/72/92/77/822729277.db2.gz JDAMFSWXYJXQRQ-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000456634290 822820027 /nfs/dbraw/zinc/82/00/27/822820027.db2.gz CWBLKQGZBIAZQR-MRXNPFEDSA-N -1 1 385.851 4.298 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC000174693121 822824186 /nfs/dbraw/zinc/82/41/86/822824186.db2.gz FXEIUMTUOQMEST-UHFFFAOYSA-N -1 1 392.484 4.321 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCN(c2nc3ccccc3s2)CC1 ZINC000456779427 822830377 /nfs/dbraw/zinc/83/03/77/822830377.db2.gz ABZHCNDZYNTECK-UHFFFAOYSA-N -1 1 389.427 4.135 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000456783830 822830580 /nfs/dbraw/zinc/83/05/80/822830580.db2.gz LKRZVHVYLDAUJY-CYBMUJFWSA-N -1 1 375.419 4.116 20 0 GIADMM O=C([N-]NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000186232547 822863076 /nfs/dbraw/zinc/86/30/76/822863076.db2.gz JKSOXHOBIXRCRW-UHFFFAOYSA-N -1 1 395.139 4.226 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174985643 822864485 /nfs/dbraw/zinc/86/44/85/822864485.db2.gz PLHKCDQFKNAHQF-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cc(Br)cc(F)c1[O-] ZINC000186249015 822864752 /nfs/dbraw/zinc/86/47/52/822864752.db2.gz RBBGOTILGFEPAP-IUCAKERBSA-N -1 1 395.228 4.186 20 0 GIADMM CC[C@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000457400937 822873005 /nfs/dbraw/zinc/87/30/05/822873005.db2.gz LUZXVXBVQXGRKE-CYBMUJFWSA-N -1 1 382.432 4.107 20 0 GIADMM O=S(=O)([N-]c1ccccc1Oc1ccncc1)C1=Cc2ccccc2OCC1 ZINC000186421609 822891862 /nfs/dbraw/zinc/89/18/62/822891862.db2.gz YMBWZZBGRSISBF-UHFFFAOYSA-N -1 1 394.452 4.439 20 0 GIADMM C[C@@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)[C@@H]1c1ccccc1 ZINC000175179820 822898754 /nfs/dbraw/zinc/89/87/54/822898754.db2.gz HEIIWBPWMOKKEF-DYVFJYSZSA-N -1 1 384.530 4.279 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000569536696 822936333 /nfs/dbraw/zinc/93/63/33/822936333.db2.gz IRKREHOEEUDFHO-UHFFFAOYSA-N -1 1 376.865 4.282 20 0 GIADMM Cc1c(F)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000175332533 822937655 /nfs/dbraw/zinc/93/76/55/822937655.db2.gz PFSOKKBPXCBVQM-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCc1nc(SCCCCSc2nc(CC)c(C)c(=O)[nH]2)[n-]c(=O)c1C ZINC000569624271 822946253 /nfs/dbraw/zinc/94/62/53/822946253.db2.gz XDFFCMAUVPAQBX-UHFFFAOYSA-N -1 1 394.566 4.084 20 0 GIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]2CCC[C@H]21 ZINC000569641413 822948829 /nfs/dbraw/zinc/94/88/29/822948829.db2.gz LOFUPQAAEKDTQD-UXHICEINSA-N -1 1 398.528 4.138 20 0 GIADMM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315365 822951173 /nfs/dbraw/zinc/95/11/73/822951173.db2.gz VTITWKFTVNSVOI-UHFFFAOYSA-N -1 1 392.282 4.363 20 0 GIADMM O=C(CSc1ccc2c(c1)CCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315511 822951402 /nfs/dbraw/zinc/95/14/02/822951402.db2.gz WPUSGFWHZPIYRB-UHFFFAOYSA-N -1 1 395.524 4.095 20 0 GIADMM CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186796371 822956913 /nfs/dbraw/zinc/95/69/13/822956913.db2.gz ZIEYBCOXIDBMCS-UHFFFAOYSA-N -1 1 397.258 4.100 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc(Cl)c1[O-] ZINC000186815284 822959889 /nfs/dbraw/zinc/95/98/89/822959889.db2.gz YFEYTKYAIRFLOS-UHFFFAOYSA-N -1 1 383.835 4.462 20 0 GIADMM CCn1c2ccccc2nc1[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000569752224 822963597 /nfs/dbraw/zinc/96/35/97/822963597.db2.gz NPRKTYIJMXAAMD-HNNXBMFYSA-N -1 1 388.475 4.404 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186841692 822965648 /nfs/dbraw/zinc/96/56/48/822965648.db2.gz OWAVUWLPFYVPRP-DYVFJYSZSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc(Cl)c1[O-] ZINC000186844034 822966164 /nfs/dbraw/zinc/96/61/64/822966164.db2.gz JPYMDKRBWZKKHL-CYBMUJFWSA-N -1 1 385.851 4.121 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc(Cl)c1[O-] ZINC000186853547 822968129 /nfs/dbraw/zinc/96/81/29/822968129.db2.gz IFQTZAHCRQPITO-DZGCQCFKSA-N -1 1 395.908 4.234 20 0 GIADMM CC[C@H](C)Cc1c(C)sc2nc(-c3ccc(C(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000055503435 822972436 /nfs/dbraw/zinc/97/24/36/822972436.db2.gz DBGLZDYAAYZDFQ-LBPRGKRZSA-N -1 1 383.517 4.250 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC000055522369 822974068 /nfs/dbraw/zinc/97/40/68/822974068.db2.gz YHQXJQPJSODQBB-GOSISDBHSA-N -1 1 393.516 4.065 20 0 GIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000055595021 822984869 /nfs/dbraw/zinc/98/48/69/822984869.db2.gz TZNCZNIAZCSJMT-UHFFFAOYSA-N -1 1 387.288 4.451 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000055595410 822984906 /nfs/dbraw/zinc/98/49/06/822984906.db2.gz HJWIUWYARNXDLC-UHFFFAOYSA-N -1 1 378.881 4.106 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000055601585 822985910 /nfs/dbraw/zinc/98/59/10/822985910.db2.gz IGMGSJBWKWMDFH-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1NC(C)=O ZINC000055616008 822987689 /nfs/dbraw/zinc/98/76/89/822987689.db2.gz BBALKJDPRVRNEW-UHFFFAOYSA-N -1 1 396.468 4.121 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000055633187 822990205 /nfs/dbraw/zinc/99/02/05/822990205.db2.gz AIZOALDZYNTMDI-UHFFFAOYSA-N -1 1 383.897 4.002 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000055633172 822990273 /nfs/dbraw/zinc/99/02/73/822990273.db2.gz UYOKZPNXAWXKPV-UHFFFAOYSA-N -1 1 383.897 4.002 20 0 GIADMM O=S(=O)([N-]c1ccccc1COc1ccccc1)c1ccc2c(c1)CCO2 ZINC000055688062 822999582 /nfs/dbraw/zinc/99/95/82/822999582.db2.gz BBLALGURXMRKBR-UHFFFAOYSA-N -1 1 381.453 4.001 20 0 GIADMM O=C(Nc1ccc(C(=O)N2CCCC23CCC3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000570122921 823007872 /nfs/dbraw/zinc/00/78/72/823007872.db2.gz UFGSHEOPDCAKJZ-UHFFFAOYSA-N -1 1 386.398 4.081 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000187166161 823019921 /nfs/dbraw/zinc/01/99/21/823019921.db2.gz WYMGALBTXVWJMW-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000060624464 823548855 /nfs/dbraw/zinc/54/88/55/823548855.db2.gz OZLBSEPLBMFLIH-UHFFFAOYSA-N -1 1 380.897 4.059 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c2)c1 ZINC000460982765 823555533 /nfs/dbraw/zinc/55/55/33/823555533.db2.gz UJASAQGLCBHOLW-FQEVSTJZSA-N -1 1 398.528 4.056 20 0 GIADMM CC(C)c1ccc2nc(-c3ccccc3I)[n-]c(=O)c2c1 ZINC000060797400 823558224 /nfs/dbraw/zinc/55/82/24/823558224.db2.gz KXMWTRDLJNIOFC-UHFFFAOYSA-N -1 1 390.224 4.318 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000060850886 823562004 /nfs/dbraw/zinc/56/20/04/823562004.db2.gz TWFDMMWFOBIXEX-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000124164445 823573751 /nfs/dbraw/zinc/57/37/51/823573751.db2.gz HKSSGHHEZVOSLS-LJQANCHMSA-N -1 1 392.528 4.322 20 0 GIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC2(C1)CCCCC2 ZINC000461138478 823586025 /nfs/dbraw/zinc/58/60/25/823586025.db2.gz FTYSITMNJRFFDM-UHFFFAOYSA-N -1 1 398.528 4.284 20 0 GIADMM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CCS1 ZINC000411632609 823592566 /nfs/dbraw/zinc/59/25/66/823592566.db2.gz QNGODAKUHBIMAA-GFCCVEGCSA-N -1 1 389.521 4.118 20 0 GIADMM O=S(=O)(CCCCCl)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000190773965 823607090 /nfs/dbraw/zinc/60/70/90/823607090.db2.gz NFPRWCJIZZIRGZ-UHFFFAOYSA-N -1 1 380.215 4.042 20 0 GIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461344823 823621226 /nfs/dbraw/zinc/62/12/26/823621226.db2.gz XFVLRDAYIAWNEJ-UHFFFAOYSA-N -1 1 398.815 4.180 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(CCC)cc3)n2)n[n-]c1=S ZINC000063092592 823651322 /nfs/dbraw/zinc/65/13/22/823651322.db2.gz HWOFBLDCWCOGOV-UHFFFAOYSA-N -1 1 399.545 4.379 20 0 GIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)cc1 ZINC000063147338 823652969 /nfs/dbraw/zinc/65/29/69/823652969.db2.gz ZHVQCWAIQKZTBO-UHFFFAOYSA-N -1 1 379.478 4.074 20 0 GIADMM CCCc1nnc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)s1 ZINC000461788887 823695464 /nfs/dbraw/zinc/69/54/64/823695464.db2.gz UISIFCHSPNJDIT-UHFFFAOYSA-N -1 1 382.367 4.417 20 0 GIADMM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1c(F)cccc1Cl ZINC000125720282 823700047 /nfs/dbraw/zinc/70/00/47/823700047.db2.gz FVTGEPKVOWHMAN-OAHLLOKOSA-N -1 1 395.843 4.008 20 0 GIADMM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1c(F)cccc1Cl ZINC000125720055 823700054 /nfs/dbraw/zinc/70/00/54/823700054.db2.gz FVTGEPKVOWHMAN-HNNXBMFYSA-N -1 1 395.843 4.008 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)CC(F)F)ccc2C)c1 ZINC000413038967 823700770 /nfs/dbraw/zinc/70/07/70/823700770.db2.gz UARHMSSPXSOBSN-AWEZNQCLSA-N -1 1 396.459 4.334 20 0 GIADMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(COC)c3)cc2O1 ZINC000574330339 823703808 /nfs/dbraw/zinc/70/38/08/823703808.db2.gz TUFWKQHRBSRKAZ-GOSISDBHSA-N -1 1 397.880 4.185 20 0 GIADMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000063878364 823704584 /nfs/dbraw/zinc/70/45/84/823704584.db2.gz VQRFHTYCDDCJCU-UHFFFAOYSA-N -1 1 392.480 4.228 20 0 GIADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000163476728 823713810 /nfs/dbraw/zinc/71/38/10/823713810.db2.gz SGXFEMZYSXUWCV-CRAIPNDOSA-N -1 1 398.503 4.311 20 0 GIADMM CCc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163893116 823758067 /nfs/dbraw/zinc/75/80/67/823758067.db2.gz VJYJBRDFEOTSJH-HNNXBMFYSA-N -1 1 393.512 4.427 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nc1-c1ccccc1 ZINC000163925573 823761441 /nfs/dbraw/zinc/76/14/41/823761441.db2.gz OEKDFUKHRCAZNA-DNVCBOLYSA-N -1 1 399.560 4.121 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C(F)(F)F)c1 ZINC000064375091 823803659 /nfs/dbraw/zinc/80/36/59/823803659.db2.gz MEGWAMUPRYQCFG-UHFFFAOYSA-N -1 1 389.395 4.222 20 0 GIADMM O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc(Cl)ccc1[O-] ZINC000064457693 823823061 /nfs/dbraw/zinc/82/30/61/823823061.db2.gz SGCQXRDWCGZXAC-UHFFFAOYSA-N -1 1 387.892 4.054 20 0 GIADMM C#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000191957031 823824297 /nfs/dbraw/zinc/82/42/97/823824297.db2.gz LTEMRMKHBJZKIC-UHFFFAOYSA-N -1 1 394.855 4.022 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000064474735 823825734 /nfs/dbraw/zinc/82/57/34/823825734.db2.gz LRFGNJYNZIYUAI-UHFFFAOYSA-N -1 1 392.480 4.407 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000064477181 823826598 /nfs/dbraw/zinc/82/65/98/823826598.db2.gz DVTSYVWOGVQQJE-UHFFFAOYSA-N -1 1 378.519 4.256 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(C2CC2)on1 ZINC000413942835 823873286 /nfs/dbraw/zinc/87/32/86/823873286.db2.gz HIPBSTWFKJQECC-UHFFFAOYSA-N -1 1 394.378 4.265 20 0 GIADMM CCOc1cc(-c2noc(-c3cc4c(s3)CCOC4)n2)cc(Cl)c1[O-] ZINC000575037434 823897335 /nfs/dbraw/zinc/89/73/35/823897335.db2.gz OQBCLIDUSDWYAV-UHFFFAOYSA-N -1 1 378.837 4.296 20 0 GIADMM O=S(=O)([N-]c1cccc(COCCc2ccccc2)c1)c1ccc(F)cc1 ZINC000064938617 823916195 /nfs/dbraw/zinc/91/61/95/823916195.db2.gz KUNUNMSTNUQYBP-UHFFFAOYSA-N -1 1 385.460 4.386 20 0 GIADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nc(C)cs1 ZINC000462317053 823922966 /nfs/dbraw/zinc/92/29/66/823922966.db2.gz UVZUFZSGWQYIES-GFCCVEGCSA-N -1 1 385.363 4.424 20 0 GIADMM C[C@@H](c1ccc2c(c1)CCC2)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000414222606 823932601 /nfs/dbraw/zinc/93/26/01/823932601.db2.gz NCYMMRYBZZKMDL-LBPRGKRZSA-N -1 1 387.892 4.149 20 0 GIADMM C[C@@H](c1ccc2c(c1)CCC2)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000414222606 823932617 /nfs/dbraw/zinc/93/26/17/823932617.db2.gz NCYMMRYBZZKMDL-LBPRGKRZSA-N -1 1 387.892 4.149 20 0 GIADMM CCCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000065174574 823957032 /nfs/dbraw/zinc/95/70/32/823957032.db2.gz NWFXNZYSGFZBQN-UHFFFAOYSA-N -1 1 396.459 4.074 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1 ZINC000414378079 823969302 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4.285 20 0 GIADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000187589562 823093773 /nfs/dbraw/zinc/09/37/73/823093773.db2.gz HOTJRRKFAGPDEP-GOSISDBHSA-N -1 1 395.484 4.285 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000176138713 823133539 /nfs/dbraw/zinc/13/35/39/823133539.db2.gz NIAZVZLVCGPKLL-OAHLLOKOSA-N -1 1 398.454 4.153 20 0 GIADMM O=C(Nc1ccsc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000187912455 823157106 /nfs/dbraw/zinc/15/71/06/823157106.db2.gz AKSKDOYRECDLHW-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000121300747 823158609 /nfs/dbraw/zinc/15/86/09/823158609.db2.gz QQRINEJOMZMNDQ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCc3ccccc3)cc2)[n-]c1=O ZINC000188020585 823173139 /nfs/dbraw/zinc/17/31/39/823173139.db2.gz SCIKCLSCDGXUPL-DTQAZKPQSA-N -1 1 390.439 4.086 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2sc(N3CCCC3)nc2s1 ZINC000571401477 823177731 /nfs/dbraw/zinc/17/77/31/823177731.db2.gz OIQURJNNPBUFFU-UHFFFAOYSA-N -1 1 381.429 4.194 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000188105766 823187287 /nfs/dbraw/zinc/18/72/87/823187287.db2.gz PTSVUBWJKWAHPV-SECBINFHSA-N -1 1 396.394 4.254 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@H]4C[C@H]4C)no3)cc2)cc1 ZINC000571489852 823190789 /nfs/dbraw/zinc/19/07/89/823190789.db2.gz OZALDQSGVYLZDA-ACJLOTCBSA-N -1 1 399.472 4.060 20 0 GIADMM CC(C)(C)c1csc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)n1 ZINC000121574901 823209131 /nfs/dbraw/zinc/20/91/31/823209131.db2.gz KZNGUDWENRNOOU-UHFFFAOYSA-N -1 1 379.536 4.062 20 0 GIADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000176464731 823213297 /nfs/dbraw/zinc/21/32/97/823213297.db2.gz WPSWASDMDKZPIQ-GFCCVEGCSA-N -1 1 398.377 4.139 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000176533492 823231013 /nfs/dbraw/zinc/23/10/13/823231013.db2.gz DYKGIQVYDOFYLR-QFBILLFUSA-N -1 1 392.528 4.321 20 0 GIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000188406906 823235458 /nfs/dbraw/zinc/23/54/58/823235458.db2.gz LZMMWGAJLFHVRV-UHFFFAOYSA-N -1 1 394.587 4.071 20 0 GIADMM C[C@@H]1CC[C@@H](CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)O1 ZINC000176585354 823242045 /nfs/dbraw/zinc/24/20/45/823242045.db2.gz DPNNEYXTHDMZSH-HIFRSBDPSA-N -1 1 398.484 4.043 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)CCC[C@@H]2C)cc1 ZINC000176613846 823249284 /nfs/dbraw/zinc/24/92/84/823249284.db2.gz PDWXBTXDNQZDBJ-CABCVRRESA-N -1 1 388.537 4.043 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)cccc1C(=O)N1CCCC1 ZINC000176659849 823260085 /nfs/dbraw/zinc/26/00/85/823260085.db2.gz SHSXUYVTXSXZOR-UHFFFAOYSA-N -1 1 394.496 4.185 20 0 GIADMM CC(C)[C@H]1CN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)c2ccccc2N1 ZINC000176699527 823270903 /nfs/dbraw/zinc/27/09/03/823270903.db2.gz OINVDLRNABSHOZ-CQSZACIVSA-N -1 1 399.545 4.152 20 0 GIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1cccc(Cl)c1 ZINC000176723850 823277813 /nfs/dbraw/zinc/27/78/13/823277813.db2.gz KGNRZVNTMUBWPH-UHFFFAOYSA-N -1 1 392.839 4.254 20 0 GIADMM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000006590761 817706859 /nfs/dbraw/zinc/70/68/59/817706859.db2.gz PNIRETFMVPQEEM-UHFFFAOYSA-N -1 1 375.759 4.036 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000007050937 817747316 /nfs/dbraw/zinc/74/73/16/817747316.db2.gz FSVGHMWYJIIIGG-UHFFFAOYSA-N -1 1 389.395 4.304 20 0 GIADMM CCCc1cc(=O)[n-]c(SCc2csc(COc3ccc(F)cc3)n2)n1 ZINC000007062707 817750668 /nfs/dbraw/zinc/75/06/68/817750668.db2.gz SMAPPRZFRNIJLT-UHFFFAOYSA-N -1 1 391.493 4.189 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(F)c1 ZINC000007502005 817856541 /nfs/dbraw/zinc/85/65/41/817856541.db2.gz DJOVIHDQVSBKRW-UHFFFAOYSA-N -1 1 391.424 4.142 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)[n-]c(=O)c1C ZINC000572180047 823295613 /nfs/dbraw/zinc/29/56/13/823295613.db2.gz LWEZLZMRVBPONS-HUUCEWRRSA-N -1 1 399.560 4.290 20 0 GIADMM CCc1cc2c(COC(=O)c3ccc(F)cc3Cl)cc(=O)oc2cc1[O-] ZINC000007656517 817889425 /nfs/dbraw/zinc/88/94/25/817889425.db2.gz VOVKQUGNQJVAOT-UHFFFAOYSA-N -1 1 376.767 4.211 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)c1 ZINC000008033595 817986610 /nfs/dbraw/zinc/98/66/10/817986610.db2.gz FRFIRUHNRKBVRY-OXJNMPFZSA-N -1 1 386.517 4.104 20 0 GIADMM COc1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc(Cl)c1[O-] ZINC000460183187 823308588 /nfs/dbraw/zinc/30/85/88/823308588.db2.gz AXDZRPHEYFKLMF-UHFFFAOYSA-N -1 1 396.668 4.236 20 0 GIADMM O=C(Nc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1)c1ccco1 ZINC000011534772 818092988 /nfs/dbraw/zinc/09/29/88/818092988.db2.gz CKHRGJRCCDYPBP-UHFFFAOYSA-N -1 1 386.407 4.321 20 0 GIADMM CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000013264911 818208365 /nfs/dbraw/zinc/20/83/65/818208365.db2.gz WQONXYGCJAXCHC-UHFFFAOYSA-N -1 1 398.278 4.072 20 0 GIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000188904671 823326187 /nfs/dbraw/zinc/32/61/87/823326187.db2.gz CDNHJMTYSWCZKU-LBPRGKRZSA-N -1 1 387.860 4.002 20 0 GIADMM O=C(NC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015344687 818314732 /nfs/dbraw/zinc/31/47/32/818314732.db2.gz YTGDEEWMJSCUGO-UHFFFAOYSA-N -1 1 392.908 4.203 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)c(C)s1 ZINC000122268447 823330406 /nfs/dbraw/zinc/33/04/06/823330406.db2.gz KKBWBMZRTKTZIW-UHFFFAOYSA-N -1 1 383.535 4.107 20 0 GIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)cc1 ZINC000017301523 818506525 /nfs/dbraw/zinc/50/65/25/818506525.db2.gz FQELGYJJJMEQFX-UHFFFAOYSA-N -1 1 388.533 4.232 20 0 GIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCCC1 ZINC000017356938 818511874 /nfs/dbraw/zinc/51/18/74/818511874.db2.gz XBGKZVOEESWPJV-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@@H]1C ZINC000017442202 818514704 /nfs/dbraw/zinc/51/47/04/818514704.db2.gz RMVWWSXICZVPEA-JXXFODFXSA-N -1 1 386.517 4.042 20 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/nfs/dbraw/zinc/79/65/66/818796566.db2.gz BXDJROIZXWIXHM-UHFFFAOYSA-N -1 1 378.255 4.434 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(c2ccccc2)CC1 ZINC000058143017 823364583 /nfs/dbraw/zinc/36/45/83/823364583.db2.gz YPTFHFKMRDQKEQ-UHFFFAOYSA-N -1 1 392.480 4.158 20 0 GIADMM CCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000058144323 823364934 /nfs/dbraw/zinc/36/49/34/823364934.db2.gz PNBRSAGBZAMLBO-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000022931527 818878301 /nfs/dbraw/zinc/87/83/01/818878301.db2.gz VRUUDUYGGSJVQY-OCCSQVGLSA-N -1 1 377.535 4.041 20 0 GIADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc12 ZINC000022959375 818880081 /nfs/dbraw/zinc/88/00/81/818880081.db2.gz YJVGOAFXERCJOU-UHFFFAOYSA-N -1 1 384.505 4.125 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CCC(C)CC2)cc1 ZINC000058324907 823378963 /nfs/dbraw/zinc/37/89/63/823378963.db2.gz HERFTDCIFCKTEJ-UHFFFAOYSA-N -1 1 388.537 4.043 20 0 GIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000024426876 819055872 /nfs/dbraw/zinc/05/58/72/819055872.db2.gz BJXGQSNMHGSOJT-UHFFFAOYSA-N -1 1 383.473 4.171 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000024443090 819057633 /nfs/dbraw/zinc/05/76/33/819057633.db2.gz PMYKVQBXXORPNU-UHFFFAOYSA-N -1 1 390.415 4.156 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc(C)c1F ZINC000460423405 823384360 /nfs/dbraw/zinc/38/43/60/823384360.db2.gz HBYDXZAGYMEADT-UHFFFAOYSA-N -1 1 391.493 4.128 20 0 GIADMM Cn1cc(-c2nc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)cs2)cn1 ZINC000122675583 823392308 /nfs/dbraw/zinc/39/23/08/823392308.db2.gz NWXDZXHHRHRAKT-UHFFFAOYSA-N -1 1 398.435 4.292 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000177189629 823395054 /nfs/dbraw/zinc/39/50/54/823395054.db2.gz VEZCJFWYGKFIMW-CVEARBPZSA-N -1 1 380.517 4.225 20 0 GIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000058689574 823432052 /nfs/dbraw/zinc/43/20/52/823432052.db2.gz ZUAGRNZNFQIJHR-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CC1CCC(N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000025625458 820007972 /nfs/dbraw/zinc/00/79/72/820007972.db2.gz UIOVNXDYEDSYKY-UHFFFAOYSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C(C)C)c2)cc1F ZINC000027231803 820213093 /nfs/dbraw/zinc/21/30/93/820213093.db2.gz WIEKECXKJBOPSR-OAHLLOKOSA-N -1 1 392.496 4.051 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cn3)ccc2C)cc1 ZINC000027643763 820270393 /nfs/dbraw/zinc/27/03/93/820270393.db2.gz TZQHLFORLBDBAG-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2C)cc1 ZINC000027651642 820271630 /nfs/dbraw/zinc/27/16/30/820271630.db2.gz WASSJAPKQCIBBO-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000573212813 823466375 /nfs/dbraw/zinc/46/63/75/823466375.db2.gz JZUXHRAVHDXFHX-NRFANRHFSA-N -1 1 391.471 4.141 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1Cl ZINC000028197005 820318389 /nfs/dbraw/zinc/31/83/89/820318389.db2.gz XZEQUUFTYTUPOJ-UHFFFAOYSA-N -1 1 390.686 4.220 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C)cc3)cc2C[C@H]1C ZINC000028686557 820351595 /nfs/dbraw/zinc/35/15/95/820351595.db2.gz NULHCQJZCMVXBK-CQSZACIVSA-N -1 1 386.517 4.082 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)c1 ZINC000029383941 820447647 /nfs/dbraw/zinc/44/76/47/820447647.db2.gz JQCCVAQXBHDXQS-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM Cc1csc(SCc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)n1 ZINC000029388291 820448586 /nfs/dbraw/zinc/44/85/86/820448586.db2.gz TVWPGCNHVXRCOZ-UHFFFAOYSA-N -1 1 399.423 4.133 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)co1 ZINC000029433404 820454655 /nfs/dbraw/zinc/45/46/55/820454655.db2.gz QZETYTGRXSSNBJ-UHFFFAOYSA-N -1 1 382.363 4.470 20 0 GIADMM CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030011877 820569069 /nfs/dbraw/zinc/56/90/69/820569069.db2.gz ZEXNBTSWCLNNFC-UHFFFAOYSA-N -1 1 398.509 4.462 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000030016600 820569750 /nfs/dbraw/zinc/56/97/50/820569750.db2.gz OKOOVJJDTYCKQI-CRAIPNDOSA-N -1 1 386.517 4.104 20 0 GIADMM COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c([O-])c1 ZINC000031265338 820781328 /nfs/dbraw/zinc/78/13/28/820781328.db2.gz NLQGBVJFNVPUMT-UHFFFAOYSA-N -1 1 377.400 4.297 20 0 GIADMM O=C(Nc1cccc(COCC2CC2)c1)c1cc(Br)ccc1[O-] ZINC000060104345 823508466 /nfs/dbraw/zinc/50/84/66/823508466.db2.gz JOLFGCDCHDQOFJ-UHFFFAOYSA-N -1 1 376.250 4.334 20 0 GIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000031669266 820842360 /nfs/dbraw/zinc/84/23/60/820842360.db2.gz PDIIQXMROMBWIT-UHFFFAOYSA-N -1 1 387.288 4.389 20 0 GIADMM Cc1ccc([C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)C2CC2)cc1 ZINC000032427921 820941756 /nfs/dbraw/zinc/94/17/56/820941756.db2.gz JOBWKCAKMBYWRW-KRWDZBQOSA-N -1 1 384.530 4.245 20 0 GIADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000032522288 820965302 /nfs/dbraw/zinc/96/53/02/820965302.db2.gz CROJCTUJWCJVHG-UHFFFAOYSA-N -1 1 392.695 4.023 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c2ccccc12 ZINC000032585315 820972236 /nfs/dbraw/zinc/97/22/36/820972236.db2.gz AZXDLOHTORMECB-UHFFFAOYSA-N -1 1 399.468 4.199 20 0 GIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000032594825 820974738 /nfs/dbraw/zinc/97/47/38/820974738.db2.gz DOADYXZQOVYRMO-UHFFFAOYSA-N -1 1 399.472 4.105 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1 ZINC000032596820 820975291 /nfs/dbraw/zinc/97/52/91/820975291.db2.gz WHXZLSPSKLNMHR-UHFFFAOYSA-N -1 1 399.443 4.408 20 0 GIADMM Cc1nc(NC(=O)c2ccc(F)cc2F)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123565571 823521821 /nfs/dbraw/zinc/52/18/21/823521821.db2.gz FLYFJJYMLHDGGJ-UHFFFAOYSA-N -1 1 393.444 4.238 20 0 GIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)cc21 ZINC000460829234 823524111 /nfs/dbraw/zinc/52/41/11/823524111.db2.gz NGVMSLNHEZAZNQ-UHFFFAOYSA-N -1 1 385.489 4.201 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)sc1Br ZINC000123635861 823528074 /nfs/dbraw/zinc/52/80/74/823528074.db2.gz KCLONUFUUMGKQZ-UHFFFAOYSA-N -1 1 384.679 4.412 20 0 GIADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[nH]n1 ZINC000034254410 821061967 /nfs/dbraw/zinc/06/19/67/821061967.db2.gz YUEXRIMVYLZUGK-UHFFFAOYSA-N -1 1 381.807 4.180 20 0 GIADMM Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060411921 823524663 /nfs/dbraw/zinc/52/46/63/823524663.db2.gz LBDSHQPGGSBVSA-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060411985 823524717 /nfs/dbraw/zinc/52/47/17/823524717.db2.gz MTRHUHOGXXZGJU-FYWRMAATSA-N -1 1 392.480 4.448 20 0 GIADMM CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000037383760 821091980 /nfs/dbraw/zinc/09/19/80/821091980.db2.gz AMNZTECZJODEGS-ZETCQYMHSA-N -1 1 375.115 4.223 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000460836379 823525663 /nfs/dbraw/zinc/52/56/63/823525663.db2.gz PVSQJZSNRWDRQP-UHFFFAOYSA-N -1 1 395.484 4.258 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(C)c1 ZINC000460837826 823525891 /nfs/dbraw/zinc/52/58/91/823525891.db2.gz UWWPZZMZPQNOGK-UHFFFAOYSA-N -1 1 376.261 4.120 20 0 GIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000460839420 823526119 /nfs/dbraw/zinc/52/61/19/823526119.db2.gz VRRGMRMSHUAMPK-UHFFFAOYSA-N -1 1 392.502 4.284 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc(C)c1F ZINC000460843097 823526657 /nfs/dbraw/zinc/52/66/57/823526657.db2.gz RDNOVHBTGYZYGX-UHFFFAOYSA-N -1 1 392.477 4.279 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000040446673 821159605 /nfs/dbraw/zinc/15/96/05/821159605.db2.gz NRKWQLQBOLUDFS-UHFFFAOYSA-N -1 1 390.686 4.302 20 0 GIADMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000041513621 821203294 /nfs/dbraw/zinc/20/32/94/821203294.db2.gz QOXQOXFRWXRTEP-CQSZACIVSA-N -1 1 378.413 4.099 20 0 GIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000041616365 821214631 /nfs/dbraw/zinc/21/46/31/821214631.db2.gz JFNJGRNKLGLNTP-UHFFFAOYSA-N -1 1 386.395 4.112 20 0 GIADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181217909 821702787 /nfs/dbraw/zinc/70/27/87/821702787.db2.gz BAEVHJGJPWBSCH-HNNXBMFYSA-N -1 1 381.451 4.482 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCCCC1CCCC1 ZINC000045127242 822364389 /nfs/dbraw/zinc/36/43/89/822364389.db2.gz AQZWKWDQVMDZJS-UHFFFAOYSA-N -1 1 386.521 4.033 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000182916895 822392043 /nfs/dbraw/zinc/39/20/43/822392043.db2.gz LKWBKJIUACMPEG-UHFFFAOYSA-N -1 1 383.311 4.398 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 ZINC000182925053 822393965 /nfs/dbraw/zinc/39/39/65/822393965.db2.gz BFUSHTMTVBZSOB-UHFFFAOYSA-N -1 1 389.249 4.064 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000182931487 822395093 /nfs/dbraw/zinc/39/50/93/822395093.db2.gz ZXQCDMDASPPCOS-UHFFFAOYSA-N -1 1 380.213 4.204 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCSCc2ccccn2)c1 ZINC000182934227 822395563 /nfs/dbraw/zinc/39/55/63/822395563.db2.gz FQFJXOJUGVCSBU-UHFFFAOYSA-N -1 1 381.295 4.120 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2occc2Br)c1 ZINC000182935058 822395802 /nfs/dbraw/zinc/39/58/02/822395802.db2.gz ZZNXVDQBSCMNSM-UHFFFAOYSA-N -1 1 375.016 4.071 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000045853230 822419107 /nfs/dbraw/zinc/41/91/07/822419107.db2.gz JCMRZEXATOUGPK-SFHVURJKSA-N -1 1 378.501 4.280 20 0 GIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C1CC1 ZINC000046061061 822438472 /nfs/dbraw/zinc/43/84/72/822438472.db2.gz ULFGBPNJKCRHSO-UHFFFAOYSA-N -1 1 399.299 4.029 20 0 GIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000046462588 822475502 /nfs/dbraw/zinc/47/55/02/822475502.db2.gz CBQFHPJPYYFLKE-UHFFFAOYSA-N -1 1 392.480 4.080 20 0 GIADMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)s1 ZINC000046588493 822488910 /nfs/dbraw/zinc/48/89/10/822488910.db2.gz YFOYLBORGVRYCS-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM O=C(/C=C/c1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588342 822488979 /nfs/dbraw/zinc/48/89/79/822488979.db2.gz LFSHBHFOZNQMPM-VAWYXSNFSA-N -1 1 384.482 4.201 20 0 GIADMM O=C(/C=C/c1cccs1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611616 822491972 /nfs/dbraw/zinc/49/19/72/822491972.db2.gz ICMOHQUDEVXRRM-VAWYXSNFSA-N -1 1 384.482 4.201 20 0 GIADMM CCOc1cc(C(=O)NCc2nc3ccccc3n2C2CC2)cc(Cl)c1[O-] ZINC000183564351 822495373 /nfs/dbraw/zinc/49/53/73/822495373.db2.gz CIFZYZRFFANOHO-UHFFFAOYSA-N -1 1 385.851 4.059 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c(C)c1 ZINC000179533623 822498705 /nfs/dbraw/zinc/49/87/05/822498705.db2.gz DQTHEAKEBALRAS-UHFFFAOYSA-N -1 1 381.404 4.008 20 0 GIADMM Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3[N-]S(C)(=O)=O)s2)o1 ZINC000183595129 822498811 /nfs/dbraw/zinc/49/88/11/822498811.db2.gz DWQMSOUNINNVEZ-UHFFFAOYSA-N -1 1 394.449 4.079 20 0 GIADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000179609222 822511978 /nfs/dbraw/zinc/51/19/78/822511978.db2.gz YIUCHODUWWBOAZ-UHFFFAOYSA-N -1 1 378.256 4.149 20 0 GIADMM CC(C)[C@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000047043302 822539968 /nfs/dbraw/zinc/53/99/68/822539968.db2.gz ZMXMCUQOQWYVDM-QFIPXVFZSA-N -1 1 394.515 4.436 20 0 GIADMM Cc1oc(-c2cccs2)nc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047074184 822542384 /nfs/dbraw/zinc/54/23/84/822542384.db2.gz VIRUFJDTIDFQRJ-UHFFFAOYSA-N -1 1 396.468 4.152 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000179916338 822576399 /nfs/dbraw/zinc/57/63/99/822576399.db2.gz WUASRDUGNGTBJV-WIYYLYMNSA-N -1 1 379.431 4.413 20 0 GIADMM C[C@H](N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(C)CC1 ZINC000184147302 822585717 /nfs/dbraw/zinc/58/57/17/822585717.db2.gz VWTPAFGLNYYLIK-HNNXBMFYSA-N -1 1 387.505 4.140 20 0 GIADMM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000184149968 822586194 /nfs/dbraw/zinc/58/61/94/822586194.db2.gz XAHMKJJZGFBVDI-CVEARBPZSA-N -1 1 387.505 4.140 20 0 GIADMM C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000184150171 822586199 /nfs/dbraw/zinc/58/61/99/822586199.db2.gz POPLXKNBBUTURQ-MRXNPFEDSA-N -1 1 387.505 4.141 20 0 GIADMM C[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000184150190 822586237 /nfs/dbraw/zinc/58/62/37/822586237.db2.gz POPLXKNBBUTURQ-INIZCTEOSA-N -1 1 387.505 4.141 20 0 GIADMM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ncccc3Cl)cc2)cc1 ZINC000180202452 822638607 /nfs/dbraw/zinc/63/86/07/822638607.db2.gz UWJFRAFUZLNZIZ-UHFFFAOYSA-N -1 1 390.848 4.337 20 0 GIADMM Cc1nc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2)c2ccc(Cl)cc2)no1 ZINC000180600695 822708883 /nfs/dbraw/zinc/70/88/83/822708883.db2.gz NAABQZSUIQUUCX-HNNXBMFYSA-N -1 1 377.778 4.029 20 0 GIADMM CCc1nnc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc2)o1 ZINC000180622581 822714491 /nfs/dbraw/zinc/71/44/91/822714491.db2.gz YSVLYRLLPPLJTP-UHFFFAOYSA-N -1 1 377.322 4.276 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(-c3ccc(F)cc3)no2)nc1-c1ccccc1 ZINC000185058778 822730681 /nfs/dbraw/zinc/73/06/81/822730681.db2.gz FAJMSVNKLLFPND-UHFFFAOYSA-N -1 1 394.431 4.227 20 0 GIADMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc4[n-]c(=S)oc4c3)[nH]c2c1 ZINC000174386353 822781701 /nfs/dbraw/zinc/78/17/01/822781701.db2.gz AKXAXHSDXXSSNP-MRXNPFEDSA-N -1 1 378.457 4.279 20 0 GIADMM C=C(C)[C@@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000185481207 822789126 /nfs/dbraw/zinc/78/91/26/822789126.db2.gz UECPNRJHCJQXSZ-MRXNPFEDSA-N -1 1 397.784 4.019 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)C[C@H](C)CC)cc1 ZINC000174534853 822802492 /nfs/dbraw/zinc/80/24/92/822802492.db2.gz BCWWZBSFWILLOV-CABCVRRESA-N -1 1 390.553 4.337 20 0 GIADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000456769391 822829948 /nfs/dbraw/zinc/82/99/48/822829948.db2.gz NJMCNZWZNIUQIK-MJGOQNOKSA-N -1 1 399.560 4.235 20 0 GIADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456793777 822831722 /nfs/dbraw/zinc/83/17/22/822831722.db2.gz OMQOJYHKJDQEHA-BMLIUANNSA-N -1 1 396.821 4.107 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC000174767518 822834570 /nfs/dbraw/zinc/83/45/70/822834570.db2.gz ITPBDPCDCOWZFD-UHFFFAOYSA-N -1 1 397.378 4.119 20 0 GIADMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000174773273 822835224 /nfs/dbraw/zinc/83/52/24/822835224.db2.gz NRCQKYAVSZHKNF-UHFFFAOYSA-N -1 1 388.489 4.050 20 0 GIADMM O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(F)c(F)c([O-])c1F ZINC000186308803 822874083 /nfs/dbraw/zinc/87/40/83/822874083.db2.gz KVCOKSZGVKCASH-UHFFFAOYSA-N -1 1 384.317 4.000 20 0 GIADMM Cc1cc(CN2CCC(Oc3cccc(Br)c3)CC2)oc1C(=O)[O-] ZINC000569130462 822882303 /nfs/dbraw/zinc/88/23/03/822882303.db2.gz VODJINIPJZQUGW-UHFFFAOYSA-N -1 1 394.265 4.092 20 0 GIADMM Cc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)oc2c1C(=O)CCC2 ZINC000175255278 822915986 /nfs/dbraw/zinc/91/59/86/822915986.db2.gz DEHZZHSQKLUTBX-UHFFFAOYSA-N -1 1 384.176 4.400 20 0 GIADMM CCS[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000175256826 822916368 /nfs/dbraw/zinc/91/63/68/822916368.db2.gz MLFKYFWWOINWGT-HZPDHXFCSA-N -1 1 390.578 4.097 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(Cl)c1[O-] ZINC000186593931 822920103 /nfs/dbraw/zinc/92/01/03/822920103.db2.gz KCYIAGZYMDRWEW-UHFFFAOYSA-N -1 1 388.851 4.214 20 0 GIADMM C[C@@H]1CCN(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c2ccccc2S1 ZINC000569533799 822935750 /nfs/dbraw/zinc/93/57/50/822935750.db2.gz OZTDMGCAWFKJOO-SNVBAGLBSA-N -1 1 397.472 4.129 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)cc(Cl)c1[O-] ZINC000186679766 822935950 /nfs/dbraw/zinc/93/59/50/822935950.db2.gz DDOKUNQVGJADCP-UHFFFAOYSA-N -1 1 383.231 4.308 20 0 GIADMM COc1ccc2c(c1)oc(C(=O)[N-]NC(=O)C1CCCC1)c2-c1ccccc1 ZINC000055229125 822946924 /nfs/dbraw/zinc/94/69/24/822946924.db2.gz MNCSHFMVOOLVAQ-UHFFFAOYSA-N -1 1 378.428 4.060 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175367423 822948370 /nfs/dbraw/zinc/94/83/70/822948370.db2.gz ONAFHEYNVVRCOC-MRXNPFEDSA-N -1 1 398.557 4.150 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc(Cl)c1[O-] ZINC000186835582 822964196 /nfs/dbraw/zinc/96/41/96/822964196.db2.gz PJQWKFKCSCCSFI-AUUYWEPGSA-N -1 1 389.879 4.355 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc(Cl)c1[O-] ZINC000186846802 822966740 /nfs/dbraw/zinc/96/67/40/822966740.db2.gz FCMIDFJRALHUAY-RYZVSIALSA-N -1 1 395.908 4.015 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000186858077 822969204 /nfs/dbraw/zinc/96/92/04/822969204.db2.gz IAYREZOZWADKAV-INIZCTEOSA-N -1 1 387.863 4.322 20 0 GIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccc2cnccc21 ZINC000055587124 822982535 /nfs/dbraw/zinc/98/25/35/822982535.db2.gz CRGIZUVXPFUUSK-UHFFFAOYSA-N -1 1 391.452 4.010 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)ccc1OC(C)C ZINC000055585976 822982572 /nfs/dbraw/zinc/98/25/72/822982572.db2.gz ZGQYTRGCAKYKMO-UHFFFAOYSA-N -1 1 399.472 4.165 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000055595389 822984979 /nfs/dbraw/zinc/98/49/79/822984979.db2.gz CVRULMLETRELQQ-UHFFFAOYSA-N -1 1 386.517 4.343 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055615610 822987662 /nfs/dbraw/zinc/98/76/62/822987662.db2.gz MPTZGJZRWBNKSH-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC000055619881 822988698 /nfs/dbraw/zinc/98/86/98/822988698.db2.gz AJWYIBCUMZSMBM-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c(Cl)c1 ZINC000055631527 822989686 /nfs/dbraw/zinc/98/96/86/822989686.db2.gz SYWNQQBTYUJKSJ-INIZCTEOSA-N -1 1 381.881 4.007 20 0 GIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000055648309 822992479 /nfs/dbraw/zinc/99/24/79/822992479.db2.gz COBWRSXWSZWVKS-UHFFFAOYSA-N -1 1 394.924 4.368 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000055657714 822995022 /nfs/dbraw/zinc/99/50/22/822995022.db2.gz DFWBBMGMWRNMDZ-SFHVURJKSA-N -1 1 396.491 4.249 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)c1 ZINC000055663357 822995907 /nfs/dbraw/zinc/99/59/07/822995907.db2.gz OPURYNPVHXHAOZ-UHFFFAOYSA-N -1 1 388.258 4.096 20 0 GIADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)c1 ZINC000570075417 823003603 /nfs/dbraw/zinc/00/36/03/823003603.db2.gz WTUZOUPTWWCBRY-UHFFFAOYSA-N -1 1 388.533 4.168 20 0 GIADMM COc1cc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc(Cl)c1[O-] ZINC000570152639 823010964 /nfs/dbraw/zinc/01/09/64/823010964.db2.gz OSEYZLILKFKMRA-UHFFFAOYSA-N -1 1 381.806 4.352 20 0 GIADMM C[C@H](NC(=O)Cn1c(-c2cccs2)n[n-]c1=S)c1c(F)cccc1Cl ZINC000175698330 823022892 /nfs/dbraw/zinc/02/28/92/823022892.db2.gz PNIOGDMAFWQAKR-VIFPVBQESA-N -1 1 396.900 4.339 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(F)c3ccccc32)c(=O)[n-]1 ZINC000570477031 823043133 /nfs/dbraw/zinc/04/31/33/823043133.db2.gz WYLBTGOMFPMMCC-LBPRGKRZSA-N -1 1 399.491 4.315 20 0 GIADMM C[C@H]1CCC[C@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000124149212 823572171 /nfs/dbraw/zinc/57/21/71/823572171.db2.gz NVDXFUMDTBVUNL-WFASDCNBSA-N -1 1 378.929 4.298 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000124158941 823573121 /nfs/dbraw/zinc/57/31/21/823573121.db2.gz GTGIGMLOYCIFOT-INIZCTEOSA-N -1 1 398.919 4.277 20 0 GIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000461118565 823580885 /nfs/dbraw/zinc/58/08/85/823580885.db2.gz LQBZUFQONWZVEF-UHFFFAOYSA-N -1 1 390.892 4.107 20 0 GIADMM CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000124465230 823598899 /nfs/dbraw/zinc/59/88/99/823598899.db2.gz SGHKUPITSOQDLL-GFCCVEGCSA-N -1 1 396.896 4.134 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc2)c1C ZINC000461208575 823598861 /nfs/dbraw/zinc/59/88/61/823598861.db2.gz KEABGRATHUXDRV-UHFFFAOYSA-N -1 1 375.881 4.252 20 0 GIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461334161 823619443 /nfs/dbraw/zinc/61/94/43/823619443.db2.gz PPFUXKPRVAEKBP-JENIJYKNSA-N -1 1 398.528 4.186 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)cc2nn1C ZINC000461346273 823621364 /nfs/dbraw/zinc/62/13/64/823621364.db2.gz XNBCFVVVLJCRPT-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM CCN(C(=O)Cn1c(-c2cccs2)n[n-]c1=S)[C@@H](C)c1ccc(F)cc1 ZINC000124803134 823627354 /nfs/dbraw/zinc/62/73/54/823627354.db2.gz KWKAFSCXHBWPAH-LBPRGKRZSA-N -1 1 390.509 4.418 20 0 GIADMM C[C@@H]1CN(Cc2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000190943806 823628195 /nfs/dbraw/zinc/62/81/95/823628195.db2.gz RQDADMDPBHMKMI-ZIAGYGMSSA-N -1 1 389.883 4.299 20 0 GIADMM CCc1cc(O)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191026242 823639415 /nfs/dbraw/zinc/63/94/15/823639415.db2.gz UBIOOOOLSXQEEQ-UHFFFAOYSA-N -1 1 396.468 4.008 20 0 GIADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412258028 823640744 /nfs/dbraw/zinc/64/07/44/823640744.db2.gz OGYIAFHKGNQBAQ-HNNXBMFYSA-N -1 1 398.850 4.059 20 0 GIADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412258028 823640746 /nfs/dbraw/zinc/64/07/46/823640746.db2.gz OGYIAFHKGNQBAQ-HNNXBMFYSA-N -1 1 398.850 4.059 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CCC[C@H]43)c2)cc1 ZINC000461489067 823647133 /nfs/dbraw/zinc/64/71/33/823647133.db2.gz NCFSTNPLZNARRV-DYESRHJHSA-N -1 1 398.528 4.201 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1Cl ZINC000063443783 823671724 /nfs/dbraw/zinc/67/17/24/823671724.db2.gz KFFDAZWAGHUXEE-UHFFFAOYSA-N -1 1 380.897 4.298 20 0 GIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000063457193 823672541 /nfs/dbraw/zinc/67/25/41/823672541.db2.gz MKBURRCGXOQSCR-UHFFFAOYSA-N -1 1 396.468 4.411 20 0 GIADMM COCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)s1 ZINC000191846117 823794708 /nfs/dbraw/zinc/79/47/08/823794708.db2.gz ZDYIZXXUPJQQKF-UHFFFAOYSA-N -1 1 386.458 4.115 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1-c1ncco1 ZINC000164656114 823814542 /nfs/dbraw/zinc/81/45/42/823814542.db2.gz SEZPQIHPKDMIEI-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1Cl ZINC000164730705 823817586 /nfs/dbraw/zinc/81/75/86/823817586.db2.gz TZXDBHBVHVHWSG-UHFFFAOYSA-N -1 1 378.837 4.113 20 0 GIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c(Cl)c1 ZINC000462082372 823822733 /nfs/dbraw/zinc/82/27/33/823822733.db2.gz CHEOWTNBEUYQPA-UHFFFAOYSA-N -1 1 395.864 4.160 20 0 GIADMM CCOc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc(Cl)c1[O-] ZINC000574804727 823832341 /nfs/dbraw/zinc/83/23/41/823832341.db2.gz STBDRNCJXWSAJK-UHFFFAOYSA-N -1 1 376.815 4.037 20 0 GIADMM Cc1nc(C(F)(F)F)sc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000462269640 823907232 /nfs/dbraw/zinc/90/72/32/823907232.db2.gz SPQMTSMVIXPDLI-UHFFFAOYSA-N -1 1 392.815 4.250 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3CC[C@H]3C3CC3)ccc2C)c1 ZINC000575094455 823910714 /nfs/dbraw/zinc/91/07/14/823910714.db2.gz WVLAHRXLPGZKCZ-IBGZPJMESA-N -1 1 399.516 4.120 20 0 GIADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937952 823915443 /nfs/dbraw/zinc/91/54/43/823915443.db2.gz NYQUUVWASGUXHD-UHFFFAOYSA-N -1 1 388.392 4.002 20 0 GIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937832 823915532 /nfs/dbraw/zinc/91/55/32/823915532.db2.gz VGOQMBPEKXIUKY-UHFFFAOYSA-N -1 1 377.409 4.246 20 0 GIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3C)ccc21 ZINC000065069837 823935215 /nfs/dbraw/zinc/93/52/15/823935215.db2.gz BEDWNLOGFBJCCW-UHFFFAOYSA-N -1 1 388.489 4.178 20 0 GIADMM CN(C)c1nc2sc(C(=O)[N-]c3nc(-c4ccccc4)ns3)cc2s1 ZINC000065074348 823936692 /nfs/dbraw/zinc/93/66/92/823936692.db2.gz FXQCYDDSQCPRMP-UHFFFAOYSA-N -1 1 387.515 4.195 20 0 GIADMM Cc1cccc2c1CCN2C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000126803639 823955399 /nfs/dbraw/zinc/95/53/99/823955399.db2.gz LIIWEJJDPLKUOO-UHFFFAOYSA-N -1 1 384.892 4.159 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000126852003 823966790 /nfs/dbraw/zinc/96/67/90/823966790.db2.gz VAKGWIBLMTWNMH-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM Cc1ccc(-c2cc(CSc3nc([O-])cc(=O)n3C3CCCC3)on2)cc1 ZINC000192472039 824004105 /nfs/dbraw/zinc/00/41/05/824004105.db2.gz CEVUFUUIAABNLG-UHFFFAOYSA-N -1 1 383.473 4.320 20 0 GIADMM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000127036785 824004899 /nfs/dbraw/zinc/00/48/99/824004899.db2.gz VEQUOSDQLNHJNQ-FQEVSTJZSA-N -1 1 375.472 4.414 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCc3ccccc3[C@@H]2C)c1 ZINC000170951255 824014841 /nfs/dbraw/zinc/01/48/41/824014841.db2.gz ZVWXQKXTHXSDNG-HNNXBMFYSA-N -1 1 378.501 4.062 20 0 GIADMM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ccc(Br)cc1C(F)(F)F)C2 ZINC000414665604 824021649 /nfs/dbraw/zinc/02/16/49/824021649.db2.gz USRXVRMYDVXBSO-XHDPSFHLSA-N -1 1 392.215 4.155 20 0 GIADMM CCc1ccsc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000053512283 205137020 /nfs/dbraw/zinc/13/70/20/205137020.db2.gz HOFJADWDWMMNPV-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000053850550 205138201 /nfs/dbraw/zinc/13/82/01/205138201.db2.gz GSJJHFYIVPJYGW-UHFFFAOYSA-N -1 1 382.432 4.140 20 0 GIADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000006177522 206217295 /nfs/dbraw/zinc/21/72/95/206217295.db2.gz MLEXDEZFERMDEL-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000827934297 601355045 /nfs/dbraw/zinc/35/50/45/601355045.db2.gz DIFDZWLFNWCYEQ-OLZOCXBDSA-N -1 1 399.878 4.311 20 0 GIADMM O=C1c2cc(Cl)ccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1c1ccncc1 ZINC000175927605 823075164 /nfs/dbraw/zinc/07/51/64/823075164.db2.gz LTSXSYXVGGWIDQ-GOSISDBHSA-N -1 1 387.773 4.490 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000176246966 823162441 /nfs/dbraw/zinc/16/24/41/823162441.db2.gz CFASSXPSUJXMGX-INIZCTEOSA-N -1 1 386.517 4.056 20 0 GIADMM CCSCC[C@H](C)N(C)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000176264612 823167238 /nfs/dbraw/zinc/16/72/38/823167238.db2.gz ZIISTLISJGSTRJ-LBPRGKRZSA-N -1 1 384.596 4.049 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000188091323 823184806 /nfs/dbraw/zinc/18/48/06/823184806.db2.gz ZLFOQESLWXQMIH-HXUWFJFHSA-N -1 1 393.512 4.421 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n1 ZINC000188091554 823184857 /nfs/dbraw/zinc/18/48/57/823184857.db2.gz YJRPSHFYARRGKV-LJQANCHMSA-N -1 1 379.485 4.113 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000176416216 823203920 /nfs/dbraw/zinc/20/39/20/823203920.db2.gz MMIWWYQCQHFLCS-UHFFFAOYSA-N -1 1 383.492 4.087 20 0 GIADMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000121555939 823205191 /nfs/dbraw/zinc/20/51/91/823205191.db2.gz LJAJLHFVGXEUQQ-GUYCJALGSA-N -1 1 390.277 4.052 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)N(C)C ZINC000176527691 823229587 /nfs/dbraw/zinc/22/95/87/823229587.db2.gz SKFZZBQCYGLTOD-UHFFFAOYSA-N -1 1 394.496 4.165 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1 ZINC000176533502 823230879 /nfs/dbraw/zinc/23/08/79/823230879.db2.gz DYKGIQVYDOFYLR-APWZRJJASA-N -1 1 392.528 4.321 20 0 GIADMM O=C(CCC(F)(F)F)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176582225 823241628 /nfs/dbraw/zinc/24/16/28/823241628.db2.gz PQPZJPSMMGWHOW-UHFFFAOYSA-N -1 1 382.363 4.037 20 0 GIADMM CSCCCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176582763 823241783 /nfs/dbraw/zinc/24/17/83/823241783.db2.gz MUPOEFNUSMDMSH-UHFFFAOYSA-N -1 1 388.514 4.228 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000121757117 823244586 /nfs/dbraw/zinc/24/45/86/823244586.db2.gz IRZKACUEMFDXSX-UHFFFAOYSA-N -1 1 382.441 4.333 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)CCC[C@H]2C)cc1 ZINC000176613876 823249138 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COc1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000176677801 823265455 /nfs/dbraw/zinc/26/54/55/823265455.db2.gz WSTMRMNHBDHOIQ-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1C ZINC000003569712 817487314 /nfs/dbraw/zinc/48/73/14/817487314.db2.gz DJFLHMSBTCWZJL-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000572050507 823274293 /nfs/dbraw/zinc/27/42/93/823274293.db2.gz JKCQPRBVETWQHF-UHFFFAOYSA-N -1 1 389.459 4.113 20 0 GIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c2)n1 ZINC000006214017 817668310 /nfs/dbraw/zinc/66/83/10/817668310.db2.gz URNHLOGVYIDRAS-UHFFFAOYSA-N -1 1 377.828 4.045 20 0 GIADMM CCOc1ccc([C@@H]2C[C@H]2Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000572082451 823280187 /nfs/dbraw/zinc/28/01/87/823280187.db2.gz CUVSGRQVPDBQDF-RBUKOAKNSA-N -1 1 376.460 4.228 20 0 GIADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007050439 817747217 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Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1 ZINC000008033585 817986648 /nfs/dbraw/zinc/98/66/48/817986648.db2.gz YMHOUWHHMJRLKU-OXQOHEQNSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@@H]3C)c2)c1 ZINC000008033596 817986764 /nfs/dbraw/zinc/98/67/64/817986764.db2.gz FRFIRUHNRKBVRY-JXFKEZNVSA-N -1 1 386.517 4.104 20 0 GIADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000008181501 818014228 /nfs/dbraw/zinc/01/42/28/818014228.db2.gz AFASJNRSRWZTJQ-UHFFFAOYSA-N -1 1 392.908 4.157 20 0 GIADMM O=c1cc(CSc2nnc(NCc3ccccc3)s2)c2ccc([O-])cc2o1 ZINC000008192229 818015583 /nfs/dbraw/zinc/01/55/83/818015583.db2.gz KVNGBTFSFBXSON-UHFFFAOYSA-N -1 1 397.481 4.255 20 0 GIADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000008216968 818019301 /nfs/dbraw/zinc/01/93/01/818019301.db2.gz UXCQXMNSLUHJRT-UHFFFAOYSA-N -1 1 384.848 4.079 20 0 GIADMM CCN(CCOc1cccc(C(=O)[O-])c1)Cc1cc(Br)ccc1F ZINC000572250252 823307523 /nfs/dbraw/zinc/30/75/23/823307523.db2.gz LMRRGBZYOGBKGZ-UHFFFAOYSA-N -1 1 396.256 4.187 20 0 GIADMM CCCc1nnc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 ZINC000011190841 818060585 /nfs/dbraw/zinc/06/05/85/818060585.db2.gz YHXBZYLHHMFFOQ-UHFFFAOYSA-N -1 1 396.501 4.052 20 0 GIADMM CCc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000057565883 823310350 /nfs/dbraw/zinc/31/03/50/823310350.db2.gz GEMISTYVBKXNEV-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1csc(Cl)c1 ZINC000188858337 823318208 /nfs/dbraw/zinc/31/82/08/823318208.db2.gz NOZISLWLDWVFSX-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000013278885 818208335 /nfs/dbraw/zinc/20/83/35/818208335.db2.gz JKCLCNCHYQRHGI-UHFFFAOYSA-N -1 1 392.285 4.214 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000014253863 818230372 /nfs/dbraw/zinc/23/03/72/818230372.db2.gz QRQRTMBCTWHNOX-INIZCTEOSA-N -1 1 386.517 4.237 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCC1(c2ccccc2)CCC1 ZINC000014800889 818268083 /nfs/dbraw/zinc/26/80/83/818268083.db2.gz MAUZVTSWSDPAJQ-UHFFFAOYSA-N -1 1 398.557 4.297 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015348580 818315158 /nfs/dbraw/zinc/31/51/58/818315158.db2.gz OKWZXPIWXASWQB-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC000015711336 818362936 /nfs/dbraw/zinc/36/29/36/818362936.db2.gz NIYHDAUAPAYXAK-UHFFFAOYSA-N -1 1 394.880 4.247 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000015840648 818375350 /nfs/dbraw/zinc/37/53/50/818375350.db2.gz IKGFXJSUEZKZNI-UHFFFAOYSA-N -1 1 388.533 4.233 20 0 GIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000188979347 823337491 /nfs/dbraw/zinc/33/74/91/823337491.db2.gz VYBZXSFMYLCOSA-UHFFFAOYSA-N -1 1 384.457 4.456 20 0 GIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1 ZINC000016504251 818450684 /nfs/dbraw/zinc/45/06/84/818450684.db2.gz CXNZWNSNKFIRDZ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC1CCC(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000018147692 818551073 /nfs/dbraw/zinc/55/10/73/818551073.db2.gz XFDIDLIXCUQUEN-UHFFFAOYSA-N -1 1 386.517 4.138 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000021290559 818672539 /nfs/dbraw/zinc/67/25/39/818672539.db2.gz PCBIHQCEZYUWRP-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM COc1ccc(N(Cc2ccccc2)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000122413711 823350943 /nfs/dbraw/zinc/35/09/43/823350943.db2.gz NLRZBHZHLXTVJV-UHFFFAOYSA-N -1 1 390.439 4.206 20 0 GIADMM O=C(c1ccccc1)C1CCN(Cn2c(=S)[n-]nc2Cc2cccs2)CC1 ZINC000058205335 823368892 /nfs/dbraw/zinc/36/88/92/823368892.db2.gz UBUILQDPRYTKKK-UHFFFAOYSA-N -1 1 398.557 4.145 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2F)c1 ZINC000023484318 818945177 /nfs/dbraw/zinc/94/51/77/818945177.db2.gz ZSKHDCMCLOGXIK-UHFFFAOYSA-N -1 1 384.480 4.104 20 0 GIADMM CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000023623349 818966507 /nfs/dbraw/zinc/96/65/07/818966507.db2.gz IDJCHOFCEFQMBE-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H]1Cc1ccccc1 ZINC000572687465 823383028 /nfs/dbraw/zinc/38/30/28/823383028.db2.gz ALPIRWSOUAKKJC-AWEZNQCLSA-N -1 1 397.272 4.160 20 0 GIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1)C(C)=O ZINC000460463522 823398189 /nfs/dbraw/zinc/39/81/89/823398189.db2.gz ZXYBYMKIFVMRSB-UHFFFAOYSA-N -1 1 388.533 4.153 20 0 GIADMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000572823368 823405642 /nfs/dbraw/zinc/40/56/42/823405642.db2.gz GVBVEJSZFBPSNK-UHFFFAOYSA-N -1 1 394.496 4.165 20 0 GIADMM CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000058626512 823419343 /nfs/dbraw/zinc/41/93/43/823419343.db2.gz XTPLZBJJRFUALO-UHFFFAOYSA-N -1 1 394.924 4.321 20 0 GIADMM CCN(Cc1cccs1)C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000025288125 819955500 /nfs/dbraw/zinc/95/55/00/819955500.db2.gz MQCABKGMXSPVBO-UHFFFAOYSA-N -1 1 386.546 4.416 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC(C)C)cc2)c1C ZINC000025328173 819963099 /nfs/dbraw/zinc/96/30/99/819963099.db2.gz QZMPRZBQCKXFRL-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000025424496 819978448 /nfs/dbraw/zinc/97/84/48/819978448.db2.gz LJZQTKYSNFRDQW-CYBMUJFWSA-N -1 1 380.897 4.059 20 0 GIADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000025472215 819987954 /nfs/dbraw/zinc/98/79/54/819987954.db2.gz RBPGZCKOSQLJBS-CYBMUJFWSA-N -1 1 392.908 4.011 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)sc3C)n2)n[n-]c1=S ZINC000026092517 820056932 /nfs/dbraw/zinc/05/69/32/820056932.db2.gz SGLFQHQEYBVNPK-UHFFFAOYSA-N -1 1 391.547 4.105 20 0 GIADMM CCCCCC[C@H](C)NC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000026182726 820067480 /nfs/dbraw/zinc/06/74/80/820067480.db2.gz OHPYQIRJPZVUFR-AWEZNQCLSA-N -1 1 388.537 4.421 20 0 GIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc2)n1 ZINC000026538742 820111041 /nfs/dbraw/zinc/11/10/41/820111041.db2.gz ADDFRSMQRQLJPR-UHFFFAOYSA-N -1 1 375.881 4.252 20 0 GIADMM O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc([O-])cc1O ZINC000058831480 823460748 /nfs/dbraw/zinc/46/07/48/823460748.db2.gz RNXGXYHTAJSPBJ-UHFFFAOYSA-N -1 1 395.392 4.007 20 0 GIADMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3cc(Cl)sc3Cl)nc21 ZINC000410323514 823462995 /nfs/dbraw/zinc/46/29/95/823462995.db2.gz NVNWCPSMURZOPB-UHFFFAOYSA-N -1 1 391.301 4.026 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc4c[nH]nc4cc3C)c2)n1 ZINC000410334118 823466227 /nfs/dbraw/zinc/46/62/27/823466227.db2.gz UANVOZIBFDTLRD-UHFFFAOYSA-N -1 1 384.486 4.104 20 0 GIADMM Cc1c(C(=O)[O-])cnn1C1CCN(CCc2cc(Cl)ccc2Cl)CC1 ZINC000573213792 823466284 /nfs/dbraw/zinc/46/62/84/823466284.db2.gz RTNCBVFIFHCDNE-UHFFFAOYSA-N -1 1 382.291 4.076 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccs1 ZINC000028492386 820340086 /nfs/dbraw/zinc/34/00/86/820340086.db2.gz VCLMVPBMLCDAIP-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000028490876 820340157 /nfs/dbraw/zinc/34/01/57/820340157.db2.gz XTCBLNFESJMXGT-GOSISDBHSA-N -1 1 390.480 4.031 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2C[C@@H]1C ZINC000028678474 820349278 /nfs/dbraw/zinc/34/92/78/820349278.db2.gz WGHRJMLRZKPHDU-JTQLQIEISA-N -1 1 399.299 4.092 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000029108269 820393760 /nfs/dbraw/zinc/39/37/60/820393760.db2.gz UXMBLZWTQORVDH-UHFFFAOYSA-N -1 1 376.844 4.347 20 0 GIADMM CCCCCCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OC ZINC000029388680 820448326 /nfs/dbraw/zinc/44/83/26/820448326.db2.gz ODJHNVSXPLOAKH-UHFFFAOYSA-N -1 1 386.374 4.044 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC000029433242 820454459 /nfs/dbraw/zinc/45/44/59/820454459.db2.gz QHJWJHPREUNARB-UHFFFAOYSA-N -1 1 382.363 4.470 20 0 GIADMM CCCCc1nnc([N-]C(=O)c2csc(COc3ccc(F)cc3)n2)s1 ZINC000029542154 820473327 /nfs/dbraw/zinc/47/33/27/820473327.db2.gz QJLYAGSQMUJDTA-UHFFFAOYSA-N -1 1 392.481 4.308 20 0 GIADMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189735319 823484111 /nfs/dbraw/zinc/48/41/11/823484111.db2.gz VPTVTCRULYOAFD-UHFFFAOYSA-N -1 1 386.926 4.074 20 0 GIADMM Cc1nc2cc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)ccc2o1 ZINC000029796213 820520395 /nfs/dbraw/zinc/52/03/95/820520395.db2.gz JOKYKHTZWINIOP-UHFFFAOYSA-N -1 1 379.445 4.004 20 0 GIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030380985 820609042 /nfs/dbraw/zinc/60/90/42/820609042.db2.gz WVANOOHGTSNSPI-OXQOHEQNSA-N -1 1 386.517 4.138 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1 ZINC000060059853 823506179 /nfs/dbraw/zinc/50/61/79/823506179.db2.gz YMGSVCHJIYXUCB-UHFFFAOYSA-N -1 1 387.486 4.199 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000031382209 820801059 /nfs/dbraw/zinc/80/10/59/820801059.db2.gz IKPLMTWRWKUNJF-PBHICJAKSA-N -1 1 388.537 4.043 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2c(ccc3ccccc23)[nH]1 ZINC000031406351 820806194 /nfs/dbraw/zinc/80/61/94/820806194.db2.gz GECCBYSZMGRQLS-UHFFFAOYSA-N -1 1 385.375 4.490 20 0 GIADMM CCNc1nc(SCc2cc(=O)oc3cc([O-])ccc23)nc2ccccc21 ZINC000031766415 820857286 /nfs/dbraw/zinc/85/72/86/820857286.db2.gz FDTPPYSUFODWRS-UHFFFAOYSA-N -1 1 379.441 4.166 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000032071804 820894149 /nfs/dbraw/zinc/89/41/49/820894149.db2.gz WLUQCBGLAOOGEW-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM CC(C)c1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cnn1-c1ccccc1Cl ZINC000189912016 823513055 /nfs/dbraw/zinc/51/30/55/823513055.db2.gz TYSRBCBJXBBMDQ-UHFFFAOYSA-N -1 1 398.776 4.038 20 0 GIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000032085316 820895908 /nfs/dbraw/zinc/89/59/08/820895908.db2.gz BBDASGSXWRCIFI-HXUWFJFHSA-N -1 1 389.517 4.244 20 0 GIADMM CC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000189940365 823516188 /nfs/dbraw/zinc/51/61/88/823516188.db2.gz UGCOKNVMLBWYSP-GFCCVEGCSA-N -1 1 396.896 4.221 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1Cl ZINC000032588548 820972872 /nfs/dbraw/zinc/97/28/72/820972872.db2.gz HILAHBBZUXQGEC-UHFFFAOYSA-N -1 1 379.837 4.464 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c2ccccc12 ZINC000032591223 820973521 /nfs/dbraw/zinc/97/35/21/820973521.db2.gz ODDQLYHNKOSNDU-UHFFFAOYSA-N -1 1 383.469 4.363 20 0 GIADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc(F)c2ncccc12 ZINC000032591090 820973902 /nfs/dbraw/zinc/97/39/02/820973902.db2.gz OFWOXWFEHLXIGB-UHFFFAOYSA-N -1 1 386.448 4.496 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CN(CC)C(C)=O)c2)cc1 ZINC000032599270 820976122 /nfs/dbraw/zinc/97/61/22/820976122.db2.gz VOJNZTNSNWQBFW-INIZCTEOSA-N -1 1 388.533 4.369 20 0 GIADMM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032631223 820980120 /nfs/dbraw/zinc/98/01/20/820980120.db2.gz HVOUGEFEIUCEKX-SFHVURJKSA-N -1 1 384.407 4.421 20 0 GIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000033097905 821033115 /nfs/dbraw/zinc/03/31/15/821033115.db2.gz QUZYCINFADMAFY-LPHOPBHVSA-N -1 1 386.517 4.138 20 0 GIADMM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000036888496 821089221 /nfs/dbraw/zinc/08/92/21/821089221.db2.gz YCVNSQQMECSGCW-CYBMUJFWSA-N -1 1 380.897 4.059 20 0 GIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000460839006 823526107 /nfs/dbraw/zinc/52/61/07/823526107.db2.gz XUKBFHHUTVPBTQ-UHFFFAOYSA-N -1 1 389.370 4.365 20 0 GIADMM O=c1cc(C2CC2)nc(SCc2nc3ccc(Br)cc3o2)[n-]1 ZINC000460872412 823533473 /nfs/dbraw/zinc/53/34/73/823533473.db2.gz ICKXYXMIAVNZFA-UHFFFAOYSA-N -1 1 378.251 4.256 20 0 GIADMM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(C(F)(F)F)s1 ZINC000461112684 823579933 /nfs/dbraw/zinc/57/99/33/823579933.db2.gz NWLSMVYVRZRQSN-UHFFFAOYSA-N -1 1 377.196 4.270 20 0 GIADMM Cc1nc2ccc(NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2s1 ZINC000043377446 821399057 /nfs/dbraw/zinc/39/90/57/821399057.db2.gz KHLKFATXGHVAMH-UHFFFAOYSA-N -1 1 395.484 4.437 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1O ZINC000180929505 821543306 /nfs/dbraw/zinc/54/33/06/821543306.db2.gz WGLIHTHMSGSHAD-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000181209205 821698576 /nfs/dbraw/zinc/69/85/76/821698576.db2.gz COBWBGJMSUTLPO-UHFFFAOYSA-N -1 1 380.441 4.102 20 0 GIADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000182259485 822174004 /nfs/dbraw/zinc/17/40/04/822174004.db2.gz ZUASJYLVVSIZOD-UHFFFAOYSA-N -1 1 382.485 4.470 20 0 GIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2[nH]1 ZINC000182499441 822269587 /nfs/dbraw/zinc/26/95/87/822269587.db2.gz FDESAJFAQHBRBA-UHFFFAOYSA-N -1 1 378.453 4.045 20 0 GIADMM CCS[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000178113322 822323766 /nfs/dbraw/zinc/32/37/66/822323766.db2.gz PJHPYPGGXZUOKO-JKSUJKDBSA-N -1 1 390.578 4.097 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1 ZINC000178217695 822354583 /nfs/dbraw/zinc/35/45/83/822354583.db2.gz WCZGZLLQPLUSOE-OAHLLOKOSA-N -1 1 394.500 4.039 20 0 GIADMM CC(C)[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045149724 822365849 /nfs/dbraw/zinc/36/58/49/822365849.db2.gz QPMOZVMMKHBHCN-OAQYLSRUSA-N -1 1 380.488 4.394 20 0 GIADMM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000182831323 822374749 /nfs/dbraw/zinc/37/47/49/822374749.db2.gz BSERAERSUQWHEV-GOEBONIOSA-N -1 1 396.668 4.068 20 0 GIADMM CO[C@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc([C@@H]2CCCO2)n1CC(C)C ZINC000453499973 822379023 /nfs/dbraw/zinc/37/90/23/822379023.db2.gz YEMZBYWLFXHEQV-JLSDUUJJSA-N -1 1 392.931 4.049 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000182911734 822391381 /nfs/dbraw/zinc/39/13/81/822391381.db2.gz LZOUJDDJCZWRNT-UHFFFAOYSA-N -1 1 399.244 4.071 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc([C@H]3CCCO3)n2)c1 ZINC000182915804 822392112 /nfs/dbraw/zinc/39/21/12/822392112.db2.gz KSXHJDKOYSAISJ-GFCCVEGCSA-N -1 1 383.267 4.023 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000182929429 822394947 /nfs/dbraw/zinc/39/49/47/822394947.db2.gz IXBLWCBYVWTVOA-UHFFFAOYSA-N -1 1 396.285 4.105 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000046588256 822488767 /nfs/dbraw/zinc/48/87/67/822488767.db2.gz UTGMVDGLERERRK-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1cccc(C)c1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179653537 822520812 /nfs/dbraw/zinc/52/08/12/822520812.db2.gz TYEQHTYOAUBSJY-UHFFFAOYSA-N -1 1 382.338 4.372 20 0 GIADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000179673135 822524236 /nfs/dbraw/zinc/52/42/36/822524236.db2.gz HNJYNUWBVVSGCC-OLZOCXBDSA-N -1 1 388.414 4.183 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000183800846 822529676 /nfs/dbraw/zinc/52/96/76/822529676.db2.gz GBIGMTIHXIDLPP-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000183915137 822545659 /nfs/dbraw/zinc/54/56/59/822545659.db2.gz VMCCGSMICQRLHB-QGZVFWFLSA-N -1 1 390.277 4.363 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000179778124 822550989 /nfs/dbraw/zinc/55/09/89/822550989.db2.gz WVQSWZIHLXFYHT-GOEBONIOSA-N -1 1 394.309 4.299 20 0 GIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184029243 822567267 /nfs/dbraw/zinc/56/72/67/822567267.db2.gz AZOQRYJKYUVHEA-NSHDSACASA-N -1 1 382.204 4.063 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3F)c2)c1 ZINC000047464348 822581732 /nfs/dbraw/zinc/58/17/32/822581732.db2.gz GCEYQPNIJFCLRB-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184341110 822618577 /nfs/dbraw/zinc/61/85/77/822618577.db2.gz LTLHEQZCCAQOEW-UHFFFAOYSA-N -1 1 394.899 4.294 20 0 GIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000180285026 822655333 /nfs/dbraw/zinc/65/53/33/822655333.db2.gz ADMXMTHBBKEQIG-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(CCCl)cc1 ZINC000048401530 822659668 /nfs/dbraw/zinc/65/96/68/822659668.db2.gz ZFBXXTGYCGBZOQ-UHFFFAOYSA-N -1 1 378.906 4.392 20 0 GIADMM Cc1nnc([N-]C(=O)c2csc(-c3cc(Br)cs3)n2)s1 ZINC000048771229 822681817 /nfs/dbraw/zinc/68/18/17/822681817.db2.gz NWXOQLSNYWTGHQ-UHFFFAOYSA-N -1 1 387.309 4.046 20 0 GIADMM C/C(=C\C(C)(C)C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000184873487 822704969 /nfs/dbraw/zinc/70/49/69/822704969.db2.gz BPUQKYPMPMGQKX-JQIJEIRASA-N -1 1 386.517 4.096 20 0 GIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184878307 822705823 /nfs/dbraw/zinc/70/58/23/822705823.db2.gz JOHFHGVREXQSNI-HNNXBMFYSA-N -1 1 393.480 4.165 20 0 GIADMM CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C1CCC1 ZINC000455772564 822723785 /nfs/dbraw/zinc/72/37/85/822723785.db2.gz OUQGCGKSBHUYIJ-UHFFFAOYSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c(Cl)c1 ZINC000050534736 822732979 /nfs/dbraw/zinc/73/29/79/822732979.db2.gz GSLQARVMYIJMNB-UHFFFAOYSA-N -1 1 396.965 4.311 20 0 GIADMM O=S(=O)([N-]c1cc(Br)ccc1F)c1c[nH]c2cccc(F)c21 ZINC000185244643 822754056 /nfs/dbraw/zinc/75/40/56/822754056.db2.gz JTIKFQQRLVFBKR-UHFFFAOYSA-N -1 1 387.205 4.009 20 0 GIADMM C=Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000185253152 822754949 /nfs/dbraw/zinc/75/49/49/822754949.db2.gz NNLWRSDRPNICNI-UHFFFAOYSA-N -1 1 378.453 4.383 20 0 GIADMM CC(C)c1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c([O-])c1 ZINC000052202220 822793034 /nfs/dbraw/zinc/79/30/34/822793034.db2.gz TVFWDTNCNWVGCY-UHFFFAOYSA-N -1 1 389.517 4.481 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C[C@H](C)CC)cc1 ZINC000174534827 822802342 /nfs/dbraw/zinc/80/23/42/822802342.db2.gz BCWWZBSFWILLOV-HUUCEWRRSA-N -1 1 390.553 4.337 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174679339 822822370 /nfs/dbraw/zinc/82/23/70/822822370.db2.gz BSDWDURAVWLYJM-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781496 822830493 /nfs/dbraw/zinc/83/04/93/822830493.db2.gz DZQDHHMFAGDIGJ-AWEZNQCLSA-N -1 1 396.821 4.107 20 0 GIADMM COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456787599 822830815 /nfs/dbraw/zinc/83/08/15/822830815.db2.gz QKZOCYYGRQIHIH-UHFFFAOYSA-N -1 1 377.387 4.307 20 0 GIADMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CCCC1 ZINC000053333999 822830830 /nfs/dbraw/zinc/83/08/30/822830830.db2.gz FLWDEHCEJMBNDT-UHFFFAOYSA-N -1 1 392.908 4.155 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)o1 ZINC000174767301 822834466 /nfs/dbraw/zinc/83/44/66/822834466.db2.gz VHZXEVPKOKRBSX-UHFFFAOYSA-N -1 1 379.441 4.253 20 0 GIADMM CC(C)(C)C1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000457342077 822868832 /nfs/dbraw/zinc/86/88/32/822868832.db2.gz LIWBJWVLWGVJIQ-UHFFFAOYSA-N -1 1 388.414 4.041 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)[n-]c(=O)c1C ZINC000569020691 822870476 /nfs/dbraw/zinc/87/04/76/822870476.db2.gz CPEJUOBOHSTXIX-GFCCVEGCSA-N -1 1 399.472 4.121 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569081810 822878013 /nfs/dbraw/zinc/87/80/13/822878013.db2.gz MWROXJQZMIFWOK-HIFRSBDPSA-N -1 1 391.924 4.322 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(C(F)F)cc1 ZINC000569144477 822883731 /nfs/dbraw/zinc/88/37/31/822883731.db2.gz DXBXCPDISQWWNF-UHFFFAOYSA-N -1 1 380.185 4.327 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000175163884 822895740 /nfs/dbraw/zinc/89/57/40/822895740.db2.gz ZFHDDFAMOACWOW-WBVHZDCISA-N -1 1 386.517 4.056 20 0 GIADMM COc1cccc(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000186601640 822921757 /nfs/dbraw/zinc/92/17/57/822921757.db2.gz QPDHMKOLZRQTSI-UHFFFAOYSA-N -1 1 379.787 4.309 20 0 GIADMM CCOc1cc(C(=O)NCc2cc(Br)cs2)cc(Cl)c1[O-] ZINC000186637887 822927763 /nfs/dbraw/zinc/92/77/63/822927763.db2.gz HGRDFERYVPMHPC-UHFFFAOYSA-N -1 1 390.686 4.198 20 0 GIADMM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000175318721 822933674 /nfs/dbraw/zinc/93/36/74/822933674.db2.gz KXCQLJRHJSPRCD-UHFFFAOYSA-N -1 1 378.331 4.208 20 0 GIADMM CCOc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc(Cl)c1[O-] ZINC000186683332 822936506 /nfs/dbraw/zinc/93/65/06/822936506.db2.gz NFBNAWBCEZGOMX-UHFFFAOYSA-N -1 1 390.867 4.225 20 0 GIADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nccs1 ZINC000186685095 822936849 /nfs/dbraw/zinc/93/68/49/822936849.db2.gz AXLJCKFAXMBBSF-SSDOTTSWSA-N -1 1 385.725 4.185 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186697742 822939815 /nfs/dbraw/zinc/93/98/15/822939815.db2.gz CXJKCJAYIAZECC-MGPUTAFESA-N -1 1 389.879 4.342 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000186717710 822943928 /nfs/dbraw/zinc/94/39/28/822943928.db2.gz KZSQLPWTBTWQGV-MRXNPFEDSA-N -1 1 389.879 4.300 20 0 GIADMM CCOc1cc(C(=O)NCc2cccc(OCC(F)F)c2)cc(Cl)c1[O-] ZINC000186768033 822952104 /nfs/dbraw/zinc/95/21/04/822952104.db2.gz VDDHNAKVJPIUTR-UHFFFAOYSA-N -1 1 385.794 4.018 20 0 GIADMM CCOc1cc(C(=O)NC2(c3nc(C)cs3)CCCC2)cc(Cl)c1[O-] ZINC000186808976 822958857 /nfs/dbraw/zinc/95/88/57/822958857.db2.gz XCGDLJJAHMFHKR-UHFFFAOYSA-N -1 1 380.897 4.409 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H](C)[C@@H]2C)cc1 ZINC000175399070 822959172 /nfs/dbraw/zinc/95/91/72/822959172.db2.gz FBJYINFZRLESMO-GJZGRUSLSA-N -1 1 388.537 4.043 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C)c1C ZINC000569730696 822960151 /nfs/dbraw/zinc/96/01/51/822960151.db2.gz AZANGKRURSGKEP-UHFFFAOYSA-N -1 1 396.468 4.140 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000186833711 822963958 /nfs/dbraw/zinc/96/39/58/822963958.db2.gz XOQSNJYJWBGWER-KZULUSFZSA-N -1 1 393.842 4.186 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186835548 822964239 /nfs/dbraw/zinc/96/42/39/822964239.db2.gz PJQWKFKCSCCSFI-IFXJQAMLSA-N -1 1 389.879 4.355 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cc(Cl)c1[O-] ZINC000186844015 822966185 /nfs/dbraw/zinc/96/61/85/822966185.db2.gz JPYMDKRBWZKKHL-ZDUSSCGKSA-N -1 1 385.851 4.121 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc(Cl)c1[O-] ZINC000186853399 822968285 /nfs/dbraw/zinc/96/82/85/822968285.db2.gz NEQAIVNHUVOVCO-ZDUSSCGKSA-N -1 1 399.878 4.429 20 0 GIADMM CCOc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)cc(Cl)c1[O-] ZINC000186860007 822969815 /nfs/dbraw/zinc/96/98/15/822969815.db2.gz XMOMECFPPFLVKB-UHFFFAOYSA-N -1 1 375.787 4.021 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)cc(Cl)c1[O-] ZINC000186862523 822970282 /nfs/dbraw/zinc/97/02/82/822970282.db2.gz JLFYHGGVDJIHNM-CQSZACIVSA-N -1 1 391.876 4.122 20 0 GIADMM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccc(CCCl)cc1 ZINC000055587384 822982556 /nfs/dbraw/zinc/98/25/56/822982556.db2.gz XKWIQEPEENJHAH-UHFFFAOYSA-N -1 1 393.814 4.210 20 0 GIADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1 ZINC000055591838 822983344 /nfs/dbraw/zinc/98/33/44/822983344.db2.gz KASAKJOOTQCKBM-OWBHPGMISA-N -1 1 391.452 4.467 20 0 GIADMM CCOc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc(Cl)c1[O-] ZINC000186937059 822983754 /nfs/dbraw/zinc/98/37/54/822983754.db2.gz HDOHZVMIWMUFOD-UHFFFAOYSA-N -1 1 392.736 4.359 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)cc1Cl ZINC000055595413 822984899 /nfs/dbraw/zinc/98/48/99/822984899.db2.gz DRWLWFBWQAJGOI-UHFFFAOYSA-N -1 1 378.881 4.106 20 0 GIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000055622206 822989349 /nfs/dbraw/zinc/98/93/49/822989349.db2.gz BPYQSGOUXLSBEU-UHFFFAOYSA-N -1 1 391.251 4.282 20 0 GIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000055639705 822990835 /nfs/dbraw/zinc/99/08/35/822990835.db2.gz UNXQRJQSFZKMBQ-UHFFFAOYSA-N -1 1 382.485 4.026 20 0 GIADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000186986477 822992442 /nfs/dbraw/zinc/99/24/42/822992442.db2.gz HBSVCHFDYVYJCW-CRAIPNDOSA-N -1 1 396.270 4.358 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c(C)c1 ZINC000055650420 822993034 /nfs/dbraw/zinc/99/30/34/822993034.db2.gz HGZILUPIAPKSTJ-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000187068157 823006248 /nfs/dbraw/zinc/00/62/48/823006248.db2.gz BNBVJTKORBYZEC-UHFFFAOYSA-N -1 1 395.786 4.198 20 0 GIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000187183564 823021995 /nfs/dbraw/zinc/02/19/95/823021995.db2.gz HQJZAMGBPBJWRP-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187246211 823029914 /nfs/dbraw/zinc/02/99/14/823029914.db2.gz MEEYSXSULKTTSX-KSSFIOAISA-N -1 1 379.460 4.418 20 0 GIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000190147449 823542996 /nfs/dbraw/zinc/54/29/96/823542996.db2.gz ANRHHPZTRSCUFV-UHFFFAOYSA-N -1 1 386.517 4.059 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1 ZINC000461083305 823572831 /nfs/dbraw/zinc/57/28/31/823572831.db2.gz JUCCUHJCRGZYIO-UHFFFAOYSA-N -1 1 387.848 4.380 20 0 GIADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461122304 823581608 /nfs/dbraw/zinc/58/16/08/823581608.db2.gz IBVQBJIZKRGOSR-UHFFFAOYSA-N -1 1 395.889 4.451 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OC(C)C)cc1 ZINC000061399508 823595524 /nfs/dbraw/zinc/59/55/24/823595524.db2.gz XFLIEGMQBIEXBY-UHFFFAOYSA-N -1 1 382.489 4.342 20 0 GIADMM COc1cc(OC)cc(-c2cccc([N-]S(=O)(=O)Cc3cccc(C)c3)n2)c1 ZINC000461209326 823598945 /nfs/dbraw/zinc/59/89/45/823598945.db2.gz WTLUBLMVZYHYAN-UHFFFAOYSA-N -1 1 398.484 4.016 20 0 GIADMM Cc1occc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000061470910 823599330 /nfs/dbraw/zinc/59/93/30/823599330.db2.gz GQUZLLNICKPQHY-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)c1C ZINC000461212962 823599783 /nfs/dbraw/zinc/59/97/83/823599783.db2.gz SGSAVFJKTSNFJW-UHFFFAOYSA-N -1 1 379.844 4.082 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)ccc12 ZINC000461332604 823619062 /nfs/dbraw/zinc/61/90/62/823619062.db2.gz LCDUVSGVSZIFSL-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461334167 823619427 /nfs/dbraw/zinc/61/94/27/823619427.db2.gz PPFUXKPRVAEKBP-ZIFCJYIRSA-N -1 1 398.528 4.186 20 0 GIADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000190964807 823631448 /nfs/dbraw/zinc/63/14/48/823631448.db2.gz FZYCEABQEOKQCJ-UHFFFAOYSA-N -1 1 376.840 4.495 20 0 GIADMM CCc1cc(O)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000191061939 823643915 /nfs/dbraw/zinc/64/39/15/823643915.db2.gz CGMMFANIXBQGOF-UHFFFAOYSA-N -1 1 396.468 4.008 20 0 GIADMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000063181481 823654672 /nfs/dbraw/zinc/65/46/72/823654672.db2.gz GNIDLFFLUPJDLP-UHFFFAOYSA-N -1 1 388.489 4.181 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)cc1 ZINC000063273909 823658850 /nfs/dbraw/zinc/65/88/50/823658850.db2.gz FSWGNVUQHFCRDO-INIZCTEOSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)c1 ZINC000063275319 823659017 /nfs/dbraw/zinc/65/90/17/823659017.db2.gz KSXHGSBRCAYAGO-INIZCTEOSA-N -1 1 386.517 4.058 20 0 GIADMM O=C(CCCc1cc(F)ccc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000125220959 823660060 /nfs/dbraw/zinc/66/00/60/823660060.db2.gz RQJOBOZLNSQPKE-UHFFFAOYSA-N -1 1 387.426 4.115 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1OC ZINC000063476065 823674954 /nfs/dbraw/zinc/67/49/54/823674954.db2.gz BAEVZWVFDNQMMD-UHFFFAOYSA-N -1 1 388.489 4.115 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1Cl ZINC000125581795 823687166 /nfs/dbraw/zinc/68/71/66/823687166.db2.gz NAODNCZJVHVMOE-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)c1ccoc1 ZINC000125583918 823687504 /nfs/dbraw/zinc/68/75/04/823687504.db2.gz UPWZEIWBGYKYRN-UHFFFAOYSA-N -1 1 392.436 4.486 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1)c1ccoc1 ZINC000125592461 823688269 /nfs/dbraw/zinc/68/82/69/823688269.db2.gz ONVHNXFHXMYKCB-UHFFFAOYSA-N -1 1 396.468 4.212 20 0 GIADMM Cc1cc(C(=O)[N-]n2cnc3sc(C)c(-c4ccccc4)c3c2=O)sc1C ZINC000125674673 823695631 /nfs/dbraw/zinc/69/56/31/823695631.db2.gz UJBUDBFVXDOWPI-UHFFFAOYSA-N -1 1 395.509 4.496 20 0 GIADMM O=C(NCc1cccc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000063797525 823697452 /nfs/dbraw/zinc/69/74/52/823697452.db2.gz KOYAJSGBGNCCRS-UHFFFAOYSA-N -1 1 388.467 4.350 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)sc1Cl ZINC000191549607 823698603 /nfs/dbraw/zinc/69/86/03/823698603.db2.gz GCZWVUDFWFSENL-UHFFFAOYSA-N -1 1 377.825 4.325 20 0 GIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4nc(C5CC5)sc4c3)ccc2o1 ZINC000063879307 823704874 /nfs/dbraw/zinc/70/48/74/823704874.db2.gz QHQKJJRUHDPAEE-UHFFFAOYSA-N -1 1 398.465 4.081 20 0 GIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2O1 ZINC000063912073 823710128 /nfs/dbraw/zinc/71/01/28/823710128.db2.gz XECSWQABZPLFJG-UHFFFAOYSA-N -1 1 391.342 4.153 20 0 GIADMM Cc1ccc(NC(=O)[C@H](C)CC(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000413156742 823717655 /nfs/dbraw/zinc/71/76/55/823717655.db2.gz SIVKGFAKMXJDTM-CYBMUJFWSA-N -1 1 382.432 4.026 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(Cl)c1 ZINC000574477896 823741076 /nfs/dbraw/zinc/74/10/76/823741076.db2.gz RMVRYKVRWXBCOX-UHFFFAOYSA-N -1 1 396.896 4.134 20 0 GIADMM Cc1c(=O)[n-]c(SCCCOc2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000163895186 823758164 /nfs/dbraw/zinc/75/81/64/823758164.db2.gz RUFSWVUZVYSXOG-UHFFFAOYSA-N -1 1 377.469 4.178 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)cc1OC ZINC000064374822 823803443 /nfs/dbraw/zinc/80/34/43/823803443.db2.gz KRBJORVXKSFOCA-UHFFFAOYSA-N -1 1 387.910 4.188 20 0 GIADMM O=C([O-])[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000164512551 823806223 /nfs/dbraw/zinc/80/62/23/823806223.db2.gz HLRVDVWSULVZIE-INIZCTEOSA-N -1 1 383.879 4.035 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000126197594 823810242 /nfs/dbraw/zinc/81/02/42/823810242.db2.gz CPUYXDGYRFHNGN-UHFFFAOYSA-N -1 1 396.871 4.083 20 0 GIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(-c4ncco4)c3)cc2)co1 ZINC000164705204 823816506 /nfs/dbraw/zinc/81/65/06/823816506.db2.gz XKWQOHXXBGKGQI-UHFFFAOYSA-N -1 1 395.440 4.414 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000064467590 823824650 /nfs/dbraw/zinc/82/46/50/823824650.db2.gz XWOLULWKJJZNSV-UHFFFAOYSA-N -1 1 386.445 4.151 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1 ZINC000064476934 823826576 /nfs/dbraw/zinc/82/65/76/823826576.db2.gz AYVKPUOGLXDOOF-UHFFFAOYSA-N -1 1 399.472 4.108 20 0 GIADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Br)cc1C(F)(F)F ZINC000191976713 823829597 /nfs/dbraw/zinc/82/95/97/823829597.db2.gz GLJATPRIEMQLER-UHFFFAOYSA-N -1 1 395.562 4.474 20 0 GIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)COc1cc(C)ccc1C(C)C ZINC000064679403 823861586 /nfs/dbraw/zinc/86/15/86/823861586.db2.gz DBGMBEMEQCSAEG-UHFFFAOYSA-N -1 1 394.471 4.321 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2sc(C)cc2Br)[n-]c1=O ZINC000414084402 823905155 /nfs/dbraw/zinc/90/51/55/823905155.db2.gz XCYJAFPOCQIBIW-VMPITWQZSA-N -1 1 383.267 4.052 20 0 GIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000462267896 823906241 /nfs/dbraw/zinc/90/62/41/823906241.db2.gz JNTLTYUMBGPBRZ-PLNGDYQASA-N -1 1 386.380 4.338 20 0 GIADMM O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000575132529 823919620 /nfs/dbraw/zinc/91/96/20/823919620.db2.gz BOKYCTIYZILXHL-HNNXBMFYSA-N -1 1 385.407 4.096 20 0 GIADMM CCCC(CCC)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000126692052 823928873 /nfs/dbraw/zinc/92/88/73/823928873.db2.gz BGDMQVWHGUKOGH-UHFFFAOYSA-N -1 1 388.533 4.320 20 0 GIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000065070373 823935615 /nfs/dbraw/zinc/93/56/15/823935615.db2.gz GMGNGVWJDPWFKH-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1nc(Cc2ccccc2)no1 ZINC000126787991 823951466 /nfs/dbraw/zinc/95/14/66/823951466.db2.gz ZYFLCVQOMIZZGC-VIFPVBQESA-N -1 1 382.367 4.028 20 0 GIADMM CCCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065174557 823956878 /nfs/dbraw/zinc/95/68/78/823956878.db2.gz XDEFQHUTEMUAME-UHFFFAOYSA-N -1 1 388.533 4.413 20 0 GIADMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C2CC2)s1 ZINC000462401092 823960627 /nfs/dbraw/zinc/96/06/27/823960627.db2.gz OPVOFLJLKMPSEC-ZDUSSCGKSA-N -1 1 391.345 4.496 20 0 GIADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C2CC2)n1 ZINC000462407648 823962682 /nfs/dbraw/zinc/96/26/82/823962682.db2.gz MBGYKWHWILJDLD-ZDUSSCGKSA-N -1 1 391.345 4.496 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000414379411 823969291 /nfs/dbraw/zinc/96/92/91/823969291.db2.gz DDKUWSABIZPBRX-UHFFFAOYSA-N -1 1 375.494 4.061 20 0 GIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc21 ZINC000126950872 823988134 /nfs/dbraw/zinc/98/81/34/823988134.db2.gz GJHYUOYRJBBLLI-MRXNPFEDSA-N -1 1 392.480 4.251 20 0 GIADMM COc1ccc(-c2cnc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)o2)cc1 ZINC000127028432 824003652 /nfs/dbraw/zinc/00/36/52/824003652.db2.gz NPBFQNBWJRIFAL-UHFFFAOYSA-N -1 1 383.351 4.157 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN(C)C[C@@H](C)C(=O)[O-])c1 ZINC000414658350 824021438 /nfs/dbraw/zinc/02/14/38/824021438.db2.gz QNKPWCVHOUXFPG-CQSZACIVSA-N -1 1 377.868 4.080 20 0 GIADMM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Oc1ccncc1 ZINC000192587617 824038695 /nfs/dbraw/zinc/03/86/95/824038695.db2.gz KOTJOKNJQAINQD-UHFFFAOYSA-N -1 1 392.459 4.124 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NC(C)(C)CCc2ccccc2)c1 ZINC000171032609 824043341 /nfs/dbraw/zinc/04/33/41/824043341.db2.gz MOKGDJUHZQOIMT-UHFFFAOYSA-N -1 1 394.544 4.444 20 0 GIADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000006178195 206217422 /nfs/dbraw/zinc/21/74/22/206217422.db2.gz PQFKWOGLJHAVTI-JXXFODFXSA-N -1 1 386.517 4.042 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)cc1 ZINC000006981460 206220211 /nfs/dbraw/zinc/22/02/11/206220211.db2.gz ADQGTYQCSDZSOR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cc(F)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000006981379 206220411 /nfs/dbraw/zinc/22/04/11/206220411.db2.gz NJBVLGFVYDVBTR-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000187382045 823053348 /nfs/dbraw/zinc/05/33/48/823053348.db2.gz MNJVDEFIZCYLNV-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1nc(C(F)(F)F)cs1 ZINC000187396513 823055524 /nfs/dbraw/zinc/05/55/24/823055524.db2.gz PBHFINHPFCEXOD-VIFPVBQESA-N -1 1 396.481 4.313 20 0 GIADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 ZINC000570589290 823058568 /nfs/dbraw/zinc/05/85/68/823058568.db2.gz UVZBYYNNDYPRNV-LLVKDONJSA-N -1 1 386.315 4.018 20 0 GIADMM CC[C@@H](Cc1ccccc1Br)NC(=O)c1c(F)ccc([O-])c1F ZINC000570622168 823063326 /nfs/dbraw/zinc/06/33/26/823063326.db2.gz XWVLPAMJCIFETH-NSHDSACASA-N -1 1 384.220 4.184 20 0 GIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000187438962 823063869 /nfs/dbraw/zinc/06/38/69/823063869.db2.gz SKKOQNVMBRSWTC-KPZWWZAWSA-N -1 1 388.414 4.183 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(F)c2ncccc12 ZINC000175973931 823086239 /nfs/dbraw/zinc/08/62/39/823086239.db2.gz KYDJCHHBMGARCF-UHFFFAOYSA-N -1 1 383.404 4.193 20 0 GIADMM COC(=O)c1cnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)[n-]1 ZINC000187589578 823093840 /nfs/dbraw/zinc/09/38/40/823093840.db2.gz HOTJRRKFAGPDEP-SFHVURJKSA-N -1 1 395.484 4.285 20 0 GIADMM COC(=O)c1c[n-]c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000187589578 823093845 /nfs/dbraw/zinc/09/38/45/823093845.db2.gz HOTJRRKFAGPDEP-SFHVURJKSA-N -1 1 395.484 4.285 20 0 GIADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000121016043 823103324 /nfs/dbraw/zinc/10/33/24/823103324.db2.gz BWPUJAGNRCMZLM-CABCVRRESA-N -1 1 398.557 4.382 20 0 GIADMM Cc1ccc(C)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000121215832 823140327 /nfs/dbraw/zinc/14/03/27/823140327.db2.gz NXIKOEFQMACPDP-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1cccc2ccccc21 ZINC000121434118 823183758 /nfs/dbraw/zinc/18/37/58/823183758.db2.gz SPMDXFWZZLOHAV-UHFFFAOYSA-N -1 1 380.498 4.139 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cnc([C@H]4CCCO4)s3)s2)c(C)c1 ZINC000121559123 823205621 /nfs/dbraw/zinc/20/56/21/823205621.db2.gz WFFDXHFHDLPHSZ-CYBMUJFWSA-N -1 1 386.502 4.382 20 0 GIADMM Cc1c2ccccc2nc(N2CCN([C@H](C)c3ccsc3)CC2)c1C(=O)[O-] ZINC000571644754 823213962 /nfs/dbraw/zinc/21/39/62/823213962.db2.gz FBBZSLCCFFHVGJ-OAHLLOKOSA-N -1 1 381.501 4.186 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]2CCC[C@H]21 ZINC000571691075 823219679 /nfs/dbraw/zinc/21/96/79/823219679.db2.gz LQRSICAZHIKDCH-WOJBJXKFSA-N -1 1 398.528 4.138 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC000176493951 823220428 /nfs/dbraw/zinc/22/04/28/823220428.db2.gz DAAOBDBJOLPYQV-XMMPIXPASA-N -1 1 379.547 4.097 20 0 GIADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176521726 823228364 /nfs/dbraw/zinc/22/83/64/823228364.db2.gz NACYGLSVDMBXBA-HIFRSBDPSA-N -1 1 384.530 4.074 20 0 GIADMM C[C@@H]1CC[C@H](CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)O1 ZINC000176585321 823242059 /nfs/dbraw/zinc/24/20/59/823242059.db2.gz DPNNEYXTHDMZSH-UKRRQHHQSA-N -1 1 398.484 4.043 20 0 GIADMM COc1ccsc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176587393 823242841 /nfs/dbraw/zinc/24/28/41/823242841.db2.gz KLYOZUAIIFZOBW-UHFFFAOYSA-N -1 1 398.465 4.079 20 0 GIADMM COCc1nc(C)c(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)s1 ZINC000121758778 823244527 /nfs/dbraw/zinc/24/45/27/823244527.db2.gz AVCLYNJLHURTGS-UHFFFAOYSA-N -1 1 392.531 4.161 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000057121157 823251002 /nfs/dbraw/zinc/25/10/02/823251002.db2.gz JKMHVDYOXCMJIM-UHFFFAOYSA-N -1 1 394.924 4.404 20 0 GIADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000121821496 823257794 /nfs/dbraw/zinc/25/77/94/823257794.db2.gz GCYMWXYKYGFOGN-UHFFFAOYSA-N -1 1 382.441 4.333 20 0 GIADMM Cc1ccsc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171339 817556682 /nfs/dbraw/zinc/55/66/82/817556682.db2.gz WZHGFRHLAXFSKB-UHFFFAOYSA-N -1 1 382.466 4.379 20 0 GIADMM CCc1cc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc2cc1[O-] ZINC000005291710 817569432 /nfs/dbraw/zinc/56/94/32/817569432.db2.gz UETIWONJWUUONV-UHFFFAOYSA-N -1 1 390.338 4.019 20 0 GIADMM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC000188637614 823278035 /nfs/dbraw/zinc/27/80/35/823278035.db2.gz RMYYWFCNLHGGHL-LBPRGKRZSA-N -1 1 388.183 4.231 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000006177438 817665954 /nfs/dbraw/zinc/66/59/54/817665954.db2.gz GLWGHARXPHDANG-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C)c1 ZINC000121937014 823280718 /nfs/dbraw/zinc/28/07/18/823280718.db2.gz YAPSATYGFCHMCY-UHFFFAOYSA-N -1 1 394.496 4.213 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3C)c2)cc1 ZINC000006981481 817734028 /nfs/dbraw/zinc/73/40/28/817734028.db2.gz JSZMBAJOWOEQAR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000007054038 817748137 /nfs/dbraw/zinc/74/81/37/817748137.db2.gz PGKGPSXZNKIXCG-UHFFFAOYSA-N -1 1 382.485 4.123 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000007052581 817748156 /nfs/dbraw/zinc/74/81/56/817748156.db2.gz DQECMAILOLDGHQ-UHFFFAOYSA-N -1 1 396.184 4.149 20 0 GIADMM O=C(CCc1ccc(-c2ccccc2)o1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007293323 817812217 /nfs/dbraw/zinc/81/22/17/817812217.db2.gz QRBKGEREPJWGEX-UHFFFAOYSA-N -1 1 390.391 4.435 20 0 GIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000007379034 817827985 /nfs/dbraw/zinc/82/79/85/817827985.db2.gz NNIFIJXTDSWPAU-UHFFFAOYSA-N -1 1 383.897 4.283 20 0 GIADMM CCc1cc2c(COC(=O)c3cc(Cl)ccc3F)cc(=O)oc2cc1[O-] ZINC000007523172 817861413 /nfs/dbraw/zinc/86/14/13/817861413.db2.gz SHEFKJVKDZKSIN-UHFFFAOYSA-N -1 1 376.767 4.211 20 0 GIADMM CCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000008033322 817985953 /nfs/dbraw/zinc/98/59/53/817985953.db2.gz HZGRHWNBKFBOIK-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)c1 ZINC000008033339 817986077 /nfs/dbraw/zinc/98/60/77/817986077.db2.gz SWOMEAJHYPXSNF-UHFFFAOYSA-N -1 1 392.908 4.122 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000008033571 817986726 /nfs/dbraw/zinc/98/67/26/817986726.db2.gz OHJKNJZSBYMCGI-HNAYVOBHSA-N -1 1 386.517 4.104 20 0 GIADMM CCCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000057613082 823314849 /nfs/dbraw/zinc/31/48/49/823314849.db2.gz KCTQQVVDCPKWNQ-UHFFFAOYSA-N -1 1 396.459 4.076 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000011986192 818135509 /nfs/dbraw/zinc/13/55/09/818135509.db2.gz IDKMDPKMFJJVTM-UHFFFAOYSA-N -1 1 399.545 4.280 20 0 GIADMM CC(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013265592 818208245 /nfs/dbraw/zinc/20/82/45/818208245.db2.gz YHZIZGJTRPNFJK-UHFFFAOYSA-N -1 1 398.278 4.072 20 0 GIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(Cl)cc1Cl ZINC000013340852 818210089 /nfs/dbraw/zinc/21/00/89/818210089.db2.gz HDKFILSVTKTKGE-UHFFFAOYSA-N -1 1 398.626 4.285 20 0 GIADMM C[C@H](CCc1ccccc1)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000014683775 818258541 /nfs/dbraw/zinc/25/85/41/818258541.db2.gz PKEWQDSWLWDFLZ-CQSZACIVSA-N -1 1 386.546 4.197 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3)c2)c1 ZINC000015344288 818314844 /nfs/dbraw/zinc/31/48/44/818314844.db2.gz FCZKFLYRGVJDKJ-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3F)c2)c1 ZINC000015542042 818336020 /nfs/dbraw/zinc/33/60/20/818336020.db2.gz RRGREYQDZZAYKZ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000015805397 818369795 /nfs/dbraw/zinc/36/97/95/818369795.db2.gz RYJADVBBEXNMTC-NSHDSACASA-N -1 1 395.912 4.224 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000015950427 818379533 /nfs/dbraw/zinc/37/95/33/818379533.db2.gz LKBLRJIMRGBUGT-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000016488862 818449215 /nfs/dbraw/zinc/44/92/15/818449215.db2.gz KIAXBAMHYWSBFF-UHFFFAOYSA-N -1 1 395.513 4.473 20 0 GIADMM CCc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000016640170 818461675 /nfs/dbraw/zinc/46/16/75/818461675.db2.gz ZGCSKIOIENPAPA-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM CCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000016640142 818461744 /nfs/dbraw/zinc/46/17/44/818461744.db2.gz NWTVLBKBMGIAOL-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccc2c(c1)CCC2 ZINC000017320056 818509421 /nfs/dbraw/zinc/50/94/21/818509421.db2.gz VXUPKDBZPMJZBT-UHFFFAOYSA-N -1 1 377.556 4.455 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2=CCCCC2)cc1 ZINC000017335149 818511054 /nfs/dbraw/zinc/51/10/54/818511054.db2.gz SGZGSSXMSBWSRJ-UHFFFAOYSA-N -1 1 386.521 4.013 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000018017498 818539074 /nfs/dbraw/zinc/53/90/74/818539074.db2.gz GBCWEYDLPWJYQS-UHFFFAOYSA-N -1 1 380.875 4.157 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000018122596 818548342 /nfs/dbraw/zinc/54/83/42/818548342.db2.gz FZYQQMVRALJQAY-UHFFFAOYSA-N -1 1 398.865 4.296 20 0 GIADMM C[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cc2ccccc2o1 ZINC000018203888 818556435 /nfs/dbraw/zinc/55/64/35/818556435.db2.gz NZCCEXNBXPGKAL-NSHDSACASA-N -1 1 384.486 4.293 20 0 GIADMM Cc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1F ZINC000018611103 818572808 /nfs/dbraw/zinc/57/28/08/818572808.db2.gz XIDNXJGHAPEUSX-UHFFFAOYSA-N -1 1 394.427 4.456 20 0 GIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000018994835 818584067 /nfs/dbraw/zinc/58/40/67/818584067.db2.gz PJKYNKNYWQSSHZ-UHFFFAOYSA-N -1 1 396.093 4.139 20 0 GIADMM N#Cc1ccc(NC(=S)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1Cl ZINC000057970731 823351750 /nfs/dbraw/zinc/35/17/50/823351750.db2.gz LAHVQKMIYPXLJD-UHFFFAOYSA-N -1 1 399.690 4.150 20 0 GIADMM CC[C@H](CNC(=O)c1c(F)ccc([O-])c1F)Cc1cccc(Br)c1 ZINC000572527017 823354404 /nfs/dbraw/zinc/35/44/04/823354404.db2.gz SKYDUZSHRLGYRL-NSHDSACASA-N -1 1 398.247 4.432 20 0 GIADMM O=C(CCc1cccs1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022094298 818771950 /nfs/dbraw/zinc/77/19/50/818771950.db2.gz OXUGIOKHFKAYGY-UHFFFAOYSA-N -1 1 396.493 4.389 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(F)c(F)c1 ZINC000022430430 818805764 /nfs/dbraw/zinc/80/57/64/818805764.db2.gz LTJDAXBBSAYXJV-UHFFFAOYSA-N -1 1 398.390 4.287 20 0 GIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2n1 ZINC000572585112 823365481 /nfs/dbraw/zinc/36/54/81/823365481.db2.gz UTOVJZIVGQIURI-UHFFFAOYSA-N -1 1 395.253 4.246 20 0 GIADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000058190465 823367857 /nfs/dbraw/zinc/36/78/57/823367857.db2.gz DWCXLSIKUVAJNP-UHFFFAOYSA-N -1 1 378.803 4.226 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)n1 ZINC000022931355 818878360 /nfs/dbraw/zinc/87/83/60/818878360.db2.gz XNDSVFFKNREQHB-CHWSQXEVSA-N -1 1 385.489 4.239 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)n1 ZINC000022931349 818878487 /nfs/dbraw/zinc/87/84/87/818878487.db2.gz XNDSVFFKNREQHB-QWHCGFSZSA-N -1 1 385.489 4.239 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)c1cccs1 ZINC000024103260 819024688 /nfs/dbraw/zinc/02/46/88/819024688.db2.gz OHEZJTHWSJPUIW-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM Cc1c(S(=O)(=O)[N-]c2ccccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000460414232 823381026 /nfs/dbraw/zinc/38/10/26/823381026.db2.gz ASLQYNUAYRYELY-UHFFFAOYSA-N -1 1 382.272 4.288 20 0 GIADMM O=C(NCC1(C2CC2)CCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000572687516 823383140 /nfs/dbraw/zinc/38/31/40/823383140.db2.gz CZGPGIDDOAUCIP-UHFFFAOYSA-N -1 1 399.516 4.189 20 0 GIADMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000058689730 823432167 /nfs/dbraw/zinc/43/21/67/823432167.db2.gz GTIGJYRLFCQZJR-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)cc2C)cc1 ZINC000058689555 823432198 /nfs/dbraw/zinc/43/21/98/823432198.db2.gz GMUOEDHYGMYWHS-UHFFFAOYSA-N -1 1 380.517 4.239 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000025348894 819967826 /nfs/dbraw/zinc/96/78/26/819967826.db2.gz CTNCCFVHJOGYDX-HNNXBMFYSA-N -1 1 390.553 4.337 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000026982592 820172998 /nfs/dbraw/zinc/17/29/98/820172998.db2.gz REMWZVSOQSQNMV-UHFFFAOYSA-N -1 1 390.415 4.156 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(C)(C)C)c2)c1 ZINC000027363489 820231391 /nfs/dbraw/zinc/23/13/91/820231391.db2.gz KUAAPBGFKBVQBC-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM C[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)[C@H](C)c1ccccc1 ZINC000177427252 823459829 /nfs/dbraw/zinc/45/98/29/823459829.db2.gz LUKULGDAMSKDBF-UONOGXRCSA-N -1 1 386.546 4.368 20 0 GIADMM Cc1ccnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000027648428 820270872 /nfs/dbraw/zinc/27/08/72/820270872.db2.gz GBFWZOAMHBMHCX-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(-n4ccnc4)c3)c2)n1 ZINC000410335521 823466696 /nfs/dbraw/zinc/46/66/96/823466696.db2.gz RSEUNBIABXSTHT-UHFFFAOYSA-N -1 1 396.497 4.105 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)n3)ccc2C)cc1 ZINC000028194873 820317901 /nfs/dbraw/zinc/31/79/01/820317901.db2.gz HQFPUVRFIDHNNE-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1csc(Cl)c1 ZINC000189666766 823470724 /nfs/dbraw/zinc/47/07/24/823470724.db2.gz SDOHDGWHJUQTRR-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000028494231 820340358 /nfs/dbraw/zinc/34/03/58/820340358.db2.gz MBLXJGVQSYYIOB-KRWDZBQOSA-N -1 1 386.517 4.119 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000028810748 820360258 /nfs/dbraw/zinc/36/02/58/820360258.db2.gz XWAYATFNYBBUOY-UHFFFAOYSA-N -1 1 378.519 4.194 20 0 GIADMM Cc1cccc(NC(=O)[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(C)C)c1C ZINC000573312842 823479500 /nfs/dbraw/zinc/47/95/00/823479500.db2.gz VYDLRVWCCDQXLG-HNNXBMFYSA-N -1 1 381.448 4.492 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)cc1C ZINC000029383677 820447689 /nfs/dbraw/zinc/44/76/89/820447689.db2.gz RGLSULOMAFDGNC-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)co1 ZINC000029433378 820454675 /nfs/dbraw/zinc/45/46/75/820454675.db2.gz QKFAJWHEDOXQDL-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000029971581 820558635 /nfs/dbraw/zinc/55/86/35/820558635.db2.gz NBJVKOIRRSUDSM-UHFFFAOYSA-N -1 1 376.456 4.209 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000029997798 820564575 /nfs/dbraw/zinc/56/45/75/820564575.db2.gz CZTJDDGTWZFWIF-GDBMZVCRSA-N -1 1 388.537 4.043 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc(-c2cccnc2)on1 ZINC000189776159 823492355 /nfs/dbraw/zinc/49/23/55/823492355.db2.gz NLGFFQHQFWQZPO-UHFFFAOYSA-N -1 1 397.847 4.085 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000123335913 823497948 /nfs/dbraw/zinc/49/79/48/823497948.db2.gz CFPTWWDHWLDOBZ-LLVKDONJSA-N -1 1 392.893 4.419 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc(F)cc2nccnc21 ZINC000189819624 823501899 /nfs/dbraw/zinc/50/18/99/823501899.db2.gz GOKXWBIYFNICHI-UHFFFAOYSA-N -1 1 399.838 4.117 20 0 GIADMM C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000031643277 820837618 /nfs/dbraw/zinc/83/76/18/820837618.db2.gz YHCSHQAEKSSDPW-QKIXXSFTSA-N -1 1 392.330 4.329 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000031668286 820842035 /nfs/dbraw/zinc/84/20/35/820842035.db2.gz YDECUTZXMIALQQ-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000031681392 820844786 /nfs/dbraw/zinc/84/47/86/820844786.db2.gz SQIRISVOSKSXQX-KRWDZBQOSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000031875271 820868766 /nfs/dbraw/zinc/86/87/66/820868766.db2.gz DFINPQVRKMQUOX-UHFFFAOYSA-N -1 1 394.431 4.484 20 0 GIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000032332583 820918463 /nfs/dbraw/zinc/91/84/63/820918463.db2.gz AXINLDPOQLIAAD-UHFFFAOYSA-N -1 1 398.459 4.293 20 0 GIADMM Cc1cc([C@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c(C)s1 ZINC000032401799 820934405 /nfs/dbraw/zinc/93/44/05/820934405.db2.gz UVHVMHQYGCZSHQ-ZDUSSCGKSA-N -1 1 386.546 4.472 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1Cl ZINC000032586320 820973129 /nfs/dbraw/zinc/97/31/29/820973129.db2.gz BVPVIHWIDGLSFD-UHFFFAOYSA-N -1 1 380.897 4.140 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1F ZINC000032589342 820973560 /nfs/dbraw/zinc/97/35/60/820973560.db2.gz ZKZSCFMAVZOCSN-UHFFFAOYSA-N -1 1 393.436 4.067 20 0 GIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)ccc2o1 ZINC000032595235 820975190 /nfs/dbraw/zinc/97/51/90/820975190.db2.gz IGVFATPZDOVDRE-UHFFFAOYSA-N -1 1 385.420 4.439 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1Cl ZINC000032595226 820975392 /nfs/dbraw/zinc/97/53/92/820975392.db2.gz XQKRKVATCBSZFL-UHFFFAOYSA-N -1 1 380.853 4.414 20 0 GIADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000032746724 821002372 /nfs/dbraw/zinc/00/23/72/821002372.db2.gz MJCIKMOGGUBRQW-PWSUYJOCSA-N -1 1 393.270 4.337 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(Cl)nc2ccccc21 ZINC000032817956 821011434 /nfs/dbraw/zinc/01/14/34/821011434.db2.gz VCDXZUALJFFNCP-UHFFFAOYSA-N -1 1 381.771 4.057 20 0 GIADMM O=C(Nc1nnn[n-]1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000060380287 823521988 /nfs/dbraw/zinc/52/19/88/823521988.db2.gz DHQZPODXCMCEHC-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM O=C(Nc1nn[n-]n1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000060380287 823521990 /nfs/dbraw/zinc/52/19/90/823521990.db2.gz DHQZPODXCMCEHC-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460829254 823524146 /nfs/dbraw/zinc/52/41/46/823524146.db2.gz NLACJPQHTAWYRA-HNNXBMFYSA-N -1 1 388.533 4.313 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000033181395 821044072 /nfs/dbraw/zinc/04/40/72/821044072.db2.gz WMPZOWZHDJKFSZ-QFBILLFUSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123643775 823528693 /nfs/dbraw/zinc/52/86/93/823528693.db2.gz HCTYQJJNZPXVGI-QZTJIDSGSA-N -1 1 396.468 4.131 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1Br ZINC000040446647 821159823 /nfs/dbraw/zinc/15/98/23/821159823.db2.gz ZIKZUXAMEWHYNB-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM CCc1oc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000123737533 823536062 /nfs/dbraw/zinc/53/60/62/823536062.db2.gz VXMNMFBIAWFKPH-UHFFFAOYSA-N -1 1 384.457 4.204 20 0 GIADMM COc1ccc(-c2nc(CSCCC[N-]C(=O)C(F)(F)F)cs2)cc1 ZINC000180778695 821451802 /nfs/dbraw/zinc/45/18/02/821451802.db2.gz QTONBZHOWMLKPH-UHFFFAOYSA-N -1 1 390.452 4.121 20 0 GIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c1 ZINC000181073678 821619104 /nfs/dbraw/zinc/61/91/04/821619104.db2.gz VFFZLNAXWTXNKO-UHFFFAOYSA-N -1 1 386.517 4.052 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000181774979 821987693 /nfs/dbraw/zinc/98/76/93/821987693.db2.gz PVQATTVFMRMZCO-UHFFFAOYSA-N -1 1 397.478 4.183 20 0 GIADMM COc1ccc(N[C@H](C)c2sc(C(C)(C)C)nc2C)cc1[N-]S(C)(=O)=O ZINC000182728047 822358337 /nfs/dbraw/zinc/35/83/37/822358337.db2.gz XZPXRXOGVQYTRF-LLVKDONJSA-N -1 1 397.566 4.302 20 0 GIADMM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000182869883 822382882 /nfs/dbraw/zinc/38/28/82/822382882.db2.gz GRELNNZYJJMUCS-MJOIQJIUSA-N -1 1 387.867 4.217 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccccc2Cl)c(=O)[n-]1 ZINC000045418517 822386834 /nfs/dbraw/zinc/38/68/34/822386834.db2.gz SZCXUXYCTVDNRJ-GFCCVEGCSA-N -1 1 379.913 4.018 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000182902866 822389491 /nfs/dbraw/zinc/38/94/91/822389491.db2.gz ZRIZUVSVINXEFE-CQSZACIVSA-N -1 1 384.320 4.494 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(-c3ccccn3)n2)c1 ZINC000182918208 822392557 /nfs/dbraw/zinc/39/25/57/822392557.db2.gz DYPUGAHUBISGLL-UHFFFAOYSA-N -1 1 390.262 4.234 20 0 GIADMM COc1cc(C)[n-]c(=NNC(=O)c2cc(Cl)ccc2SC2CCCC2)n1 ZINC000182987099 822405878 /nfs/dbraw/zinc/40/58/78/822405878.db2.gz CFROYHISLGEAKW-UHFFFAOYSA-N -1 1 392.912 4.239 20 0 GIADMM CC[C@H](C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000045861168 822419534 /nfs/dbraw/zinc/41/95/34/822419534.db2.gz ZYGSNPVHNBKQJG-KRWDZBQOSA-N -1 1 379.485 4.073 20 0 GIADMM CC[C@@H](C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000045861170 822419574 /nfs/dbraw/zinc/41/95/74/822419574.db2.gz ZYGSNPVHNBKQJG-QGZVFWFLSA-N -1 1 379.485 4.073 20 0 GIADMM COc1ccc([C@H](NC(=O)c2ccc(Br)c([O-])c2)C2CC2)cc1 ZINC000179145624 822443294 /nfs/dbraw/zinc/44/32/94/822443294.db2.gz XMJGIYAWWYMCEX-QGZVFWFLSA-N -1 1 376.250 4.044 20 0 GIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C(C)C)on3)n2)cc1 ZINC000179348006 822469108 /nfs/dbraw/zinc/46/91/08/822469108.db2.gz REPNAIJMMLTIPL-UHFFFAOYSA-N -1 1 376.463 4.062 20 0 GIADMM C[C@@H](CN(C)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nn[n-]n1 ZINC000183428687 822473564 /nfs/dbraw/zinc/47/35/64/822473564.db2.gz HAVYWZNPSUDVLA-VIFPVBQESA-N -1 1 396.303 4.111 20 0 GIADMM CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588541 822488943 /nfs/dbraw/zinc/48/89/43/822488943.db2.gz JYJLLPNFGODYEM-UHFFFAOYSA-N -1 1 398.509 4.462 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)cc(F)c1 ZINC000046588559 822489026 /nfs/dbraw/zinc/48/90/26/822489026.db2.gz YAXCYCAQSHQLTB-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592002 822489447 /nfs/dbraw/zinc/48/94/47/822489447.db2.gz UANAAYHHIBLCEI-UHFFFAOYSA-N -1 1 389.864 4.030 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2ccccc2o1 ZINC000046779702 822516415 /nfs/dbraw/zinc/51/64/15/822516415.db2.gz LJIIJMRJDAFQDQ-UHFFFAOYSA-N -1 1 392.436 4.486 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000179748634 822542072 /nfs/dbraw/zinc/54/20/72/822542072.db2.gz QJQRJAKULZMKDJ-UHFFFAOYSA-N -1 1 399.472 4.202 20 0 GIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc(Cl)cc1 ZINC000047417155 822577501 /nfs/dbraw/zinc/57/75/01/822577501.db2.gz YKLZMDDNCGSWMP-UHFFFAOYSA-N -1 1 383.907 4.144 20 0 GIADMM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1Br ZINC000179947993 822583355 /nfs/dbraw/zinc/58/33/55/822583355.db2.gz JPUXYZZFXOXRJF-UHFFFAOYSA-N -1 1 382.279 4.069 20 0 GIADMM CC1(C)CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000184147821 822585713 /nfs/dbraw/zinc/58/57/13/822585713.db2.gz XGSNVRJCBJQWNB-UHFFFAOYSA-N -1 1 387.505 4.141 20 0 GIADMM O=C(Nc1ccc(C(=O)N2CCCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000048074097 822629408 /nfs/dbraw/zinc/62/94/08/822629408.db2.gz SLJXGCAZGSEYRK-UHFFFAOYSA-N -1 1 379.243 4.187 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2c3ccccc3[C@@H](C)CC2(C)C)c(=O)[n-]1 ZINC000180317325 822662453 /nfs/dbraw/zinc/66/24/53/822662453.db2.gz NWGVKROKWJXMSE-ZDUSSCGKSA-N -1 1 385.533 4.052 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000180453052 822685051 /nfs/dbraw/zinc/68/50/51/822685051.db2.gz BNVVRXBBBNDLPJ-UHFFFAOYSA-N -1 1 393.405 4.275 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1Cl ZINC000184805927 822693383 /nfs/dbraw/zinc/69/33/83/822693383.db2.gz WBXWOQNEBKJFBB-UHFFFAOYSA-N -1 1 384.910 4.130 20 0 GIADMM Cc1c(=O)[n-]c(SCc2ccc(Br)cn2)nc1-c1ccccc1 ZINC000184873748 822704975 /nfs/dbraw/zinc/70/49/75/822704975.db2.gz QGCPXTWKAWSPAU-UHFFFAOYSA-N -1 1 388.290 4.195 20 0 GIADMM Cc1ccc(NC(=O)N2[C@H](C)CC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455771911 822723572 /nfs/dbraw/zinc/72/35/72/822723572.db2.gz NXPSVHPUILRDDC-IYBDPMFKSA-N -1 1 387.505 4.201 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[C@H]3C)c2)c1 ZINC000455776238 822724352 /nfs/dbraw/zinc/72/43/52/822724352.db2.gz CBNONYVDNVRPQW-MRXNPFEDSA-N -1 1 387.505 4.120 20 0 GIADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc2ccccc2c1 ZINC000050380575 822727931 /nfs/dbraw/zinc/72/79/31/822727931.db2.gz KYYGTTLNCHFCFV-UHFFFAOYSA-N -1 1 381.501 4.351 20 0 GIADMM Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1 ZINC000185056722 822730112 /nfs/dbraw/zinc/73/01/12/822730112.db2.gz LUUAIMCLQOMLBT-UHFFFAOYSA-N -1 1 393.512 4.401 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C(C3CC3)C3CC3)c2)c1 ZINC000050682453 822736135 /nfs/dbraw/zinc/73/61/35/822736135.db2.gz KALQBOGZOVKIGS-UHFFFAOYSA-N -1 1 398.528 4.056 20 0 GIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000052025464 822788151 /nfs/dbraw/zinc/78/81/51/822788151.db2.gz PCIFSABVRPVBCB-UHFFFAOYSA-N -1 1 393.358 4.312 20 0 GIADMM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174430469 822789181 /nfs/dbraw/zinc/78/91/81/822789181.db2.gz PLUOJCDTLCRVIN-UHFFFAOYSA-N -1 1 399.541 4.226 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456417480 822805640 /nfs/dbraw/zinc/80/56/40/822805640.db2.gz KLCJSOAPUHDNGM-SFHVURJKSA-N -1 1 398.894 4.001 20 0 GIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000185654898 822807135 /nfs/dbraw/zinc/80/71/35/822807135.db2.gz NRKQNMDKIDTCMW-XMMPIXPASA-N -1 1 393.917 4.173 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000174682155 822822771 /nfs/dbraw/zinc/82/27/71/822822771.db2.gz OIXYAZQYPLNKQS-UHFFFAOYSA-N -1 1 375.421 4.245 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2)o1 ZINC000174767244 822834437 /nfs/dbraw/zinc/83/44/37/822834437.db2.gz YRZVDDPPNGNZML-UHFFFAOYSA-N -1 1 377.853 4.062 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185961548 822838007 /nfs/dbraw/zinc/83/80/07/822838007.db2.gz MAUOQMOPDYWKEI-MRXNPFEDSA-N -1 1 396.668 4.022 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000053819927 822849488 /nfs/dbraw/zinc/84/94/88/822849488.db2.gz CYWTZKLXMDVHOF-UHFFFAOYSA-N -1 1 382.489 4.342 20 0 GIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000569226469 822894689 /nfs/dbraw/zinc/89/46/89/822894689.db2.gz HMYXQQFDFWNLSU-ZNMIVQPWSA-N -1 1 388.464 4.001 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccnc3C)c2)c1 ZINC000175211770 822905407 /nfs/dbraw/zinc/90/54/07/822905407.db2.gz XZJLGARMIWKGKQ-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM COCc1cccc(-c2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)c1 ZINC000054754601 822910141 /nfs/dbraw/zinc/91/01/41/822910141.db2.gz ZDEKHUBMJJNBTR-UHFFFAOYSA-N -1 1 378.453 4.474 20 0 GIADMM COCc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)cc1 ZINC000054755177 822910419 /nfs/dbraw/zinc/91/04/19/822910419.db2.gz QXLSPTSIFGHMMK-UHFFFAOYSA-N -1 1 392.436 4.194 20 0 GIADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(Cc2ccccc2F)s1 ZINC000186652310 822929881 /nfs/dbraw/zinc/92/98/81/822929881.db2.gz FWBHTIVDJWCLOR-UHFFFAOYSA-N -1 1 393.346 4.312 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc(Cl)c1[O-] ZINC000186680565 822935980 /nfs/dbraw/zinc/93/59/80/822935980.db2.gz MFYSRCRZSSWECG-UHFFFAOYSA-N -1 1 375.856 4.082 20 0 GIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1)[C@H]1C[C@@H]1C ZINC000569544862 822937712 /nfs/dbraw/zinc/93/77/12/822937712.db2.gz CVMBIFXVEGKTSF-VOJFVSQTSA-N -1 1 396.871 4.041 20 0 GIADMM CCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055315149 822951131 /nfs/dbraw/zinc/95/11/31/822951131.db2.gz FXWQZZNGANDBCH-UHFFFAOYSA-N -1 1 393.483 4.039 20 0 GIADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000055315683 822951426 /nfs/dbraw/zinc/95/14/26/822951426.db2.gz IFYAKAFNZZWNHD-YWZLYKJASA-N -1 1 381.472 4.163 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186773581 822953049 /nfs/dbraw/zinc/95/30/49/822953049.db2.gz CABPEMIUPWHXNC-UGSOOPFHSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186773564 822953055 /nfs/dbraw/zinc/95/30/55/822953055.db2.gz CABPEMIUPWHXNC-SCLBCKFNSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)NCCCc2nc3c(s2)CCCC3)cc(Cl)c1[O-] ZINC000186772285 822953061 /nfs/dbraw/zinc/95/30/61/822953061.db2.gz RVGFMLVAEWGXRZ-UHFFFAOYSA-N -1 1 394.924 4.142 20 0 GIADMM CCOc1cc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc(Cl)c1[O-] ZINC000186791058 822955957 /nfs/dbraw/zinc/95/59/57/822955957.db2.gz WNSKPTSHNIARBK-UHFFFAOYSA-N -1 1 393.842 4.019 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(F)cc2OC(F)F)cc(Cl)c1[O-] ZINC000186836579 822964441 /nfs/dbraw/zinc/96/44/41/822964441.db2.gz OJSCKZISEQYPQR-UHFFFAOYSA-N -1 1 375.730 4.437 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC000055522371 822974039 /nfs/dbraw/zinc/97/40/39/822974039.db2.gz YHQXJQPJSODQBB-SFHVURJKSA-N -1 1 393.516 4.065 20 0 GIADMM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000569855592 822976262 /nfs/dbraw/zinc/97/62/62/822976262.db2.gz AHPXRTVUSVDPRG-UHFFFAOYSA-N -1 1 397.381 4.244 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc(Cl)c1[O-] ZINC000186933209 822982874 /nfs/dbraw/zinc/98/28/74/822982874.db2.gz KPVZUNCPVAKJGQ-RDTXWAMCSA-N -1 1 389.879 4.342 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1Cl ZINC000055592070 822983524 /nfs/dbraw/zinc/98/35/24/822983524.db2.gz FKKLRMPYYUDTOV-UHFFFAOYSA-N -1 1 380.897 4.352 20 0 GIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000055592045 822983598 /nfs/dbraw/zinc/98/35/98/822983598.db2.gz CJZLUHOXUZDPJR-UHFFFAOYSA-N -1 1 380.897 4.352 20 0 GIADMM O=C([O-])c1coc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000569934968 822987529 /nfs/dbraw/zinc/98/75/29/822987529.db2.gz UNGYYRZWUMKWEN-UHFFFAOYSA-N -1 1 384.259 4.466 20 0 GIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055619571 822988473 /nfs/dbraw/zinc/98/84/73/822988473.db2.gz SHNGBWKHSNVJKX-UHFFFAOYSA-N -1 1 376.222 4.145 20 0 GIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000055622125 822989049 /nfs/dbraw/zinc/98/90/49/822989049.db2.gz XNWXDZMHPQJANQ-UHFFFAOYSA-N -1 1 391.251 4.282 20 0 GIADMM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1ccc(F)c(F)c1 ZINC000055633135 822990298 /nfs/dbraw/zinc/99/02/98/822990298.db2.gz JHBHBBYIYFZGAD-UHFFFAOYSA-N -1 1 379.384 4.075 20 0 GIADMM CCOc1cc(C(=O)NCCc2csc(C(C)(C)C)n2)cc(Cl)c1[O-] ZINC000186980630 822991820 /nfs/dbraw/zinc/99/18/20/822991820.db2.gz LBRPFQOIHIBLGZ-UHFFFAOYSA-N -1 1 382.913 4.171 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000055650903 822993241 /nfs/dbraw/zinc/99/32/41/822993241.db2.gz PHEUPDRNUUTILQ-UHFFFAOYSA-N -1 1 386.517 4.066 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000055650870 822993263 /nfs/dbraw/zinc/99/32/63/822993263.db2.gz HLLOOKBMFKFSLO-UHFFFAOYSA-N -1 1 386.517 4.237 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)c(C)c1 ZINC000055663319 822995873 /nfs/dbraw/zinc/99/58/73/822995873.db2.gz DDPGUZKVWQANGC-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000187055722 823004601 /nfs/dbraw/zinc/00/46/01/823004601.db2.gz ZRDFCCSULVJPMI-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000570135783 823009178 /nfs/dbraw/zinc/00/91/78/823009178.db2.gz YHMXWTHCJFNJNA-MLGOLLRUSA-N -1 1 387.436 4.108 20 0 GIADMM Cc1ccc(C(=O)NCC2CC2)cc1NCc1cccc(Br)c1[O-] ZINC000190361164 823566309 /nfs/dbraw/zinc/56/63/09/823566309.db2.gz NIDWNDDPXRHJDO-UHFFFAOYSA-N -1 1 389.293 4.215 20 0 GIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)c2C)o1 ZINC000190419913 823571326 /nfs/dbraw/zinc/57/13/26/823571326.db2.gz ZIXPNPDXEXVTKB-UHFFFAOYSA-N -1 1 383.832 4.021 20 0 GIADMM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC000061693080 823608412 /nfs/dbraw/zinc/60/84/12/823608412.db2.gz OPKXMZINQBMRHO-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)cc2nn1C ZINC000461329904 823618666 /nfs/dbraw/zinc/61/86/66/823618666.db2.gz BTSQNNKHCSLENV-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM C[C@@H]1CN(c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000190942402 823627926 /nfs/dbraw/zinc/62/79/26/823627926.db2.gz PCJCUMMROPKLKX-TXEJJXNPSA-N -1 1 393.846 4.442 20 0 GIADMM Cc1ccc(Cn2cccc(NC(=O)Nc3ccc([O-])c(Cl)c3)c2=O)cc1 ZINC000190981057 823633883 /nfs/dbraw/zinc/63/38/83/823633883.db2.gz JUUFLGIMHLANSW-UHFFFAOYSA-N -1 1 383.835 4.208 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cc(F)ccc1F ZINC000062482058 823637804 /nfs/dbraw/zinc/63/78/04/823637804.db2.gz NKJCISBIZSXEBT-LBPRGKRZSA-N -1 1 383.416 4.035 20 0 GIADMM CCCCCOCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294672 823643822 /nfs/dbraw/zinc/64/38/22/823643822.db2.gz WLRJMYVVUPUUCW-UHFFFAOYSA-N -1 1 395.091 4.063 20 0 GIADMM C[C@H]1CC[C@H](C(=O)Nc2cc([O-])c(Br)cc2Br)C1 ZINC000412296001 823644032 /nfs/dbraw/zinc/64/40/32/823644032.db2.gz YFUBAULZVBBLJC-YUMQZZPRSA-N -1 1 377.076 4.292 20 0 GIADMM CC(C)(C(=O)Nc1cc([O-])c(Br)cc1Br)C(F)F ZINC000412296605 823644040 /nfs/dbraw/zinc/64/40/40/823644040.db2.gz ZHPJLBPFEMYIQR-UHFFFAOYSA-N -1 1 387.018 4.147 20 0 GIADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(COc2ccc(Cl)cc2)s1 ZINC000412584969 823664563 /nfs/dbraw/zinc/66/45/63/823664563.db2.gz CAQNRXREAVQWEZ-UHFFFAOYSA-N -1 1 392.868 4.443 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000063701133 823690188 /nfs/dbraw/zinc/69/01/88/823690188.db2.gz IMGQGGYQOMJGHK-ZWKOTPCHSA-N -1 1 396.491 4.118 20 0 GIADMM CC(C)(CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000413085723 823704691 /nfs/dbraw/zinc/70/46/91/823704691.db2.gz QJCKKRCSDWNQBD-UHFFFAOYSA-N -1 1 382.432 4.107 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912547 823710013 /nfs/dbraw/zinc/71/00/13/823710013.db2.gz FVKGZDQAEXXDMF-UHFFFAOYSA-N -1 1 386.326 4.300 20 0 GIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912112 823710023 /nfs/dbraw/zinc/71/00/23/823710023.db2.gz JIXOQUWLRKNALZ-UHFFFAOYSA-N -1 1 385.285 4.247 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c1 ZINC000163499516 823715989 /nfs/dbraw/zinc/71/59/89/823715989.db2.gz VSRCRICFTMLCCM-OAHLLOKOSA-N -1 1 381.476 4.290 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(Br)c1 ZINC000125908894 823741512 /nfs/dbraw/zinc/74/15/12/823741512.db2.gz JUBYWGRWIWKPDQ-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163941168 823763219 /nfs/dbraw/zinc/76/32/19/823763219.db2.gz NXCWLOOODVQFKR-NVXWUHKLSA-N -1 1 385.533 4.017 20 0 GIADMM Cc1nc(-c2ccc(NCc3ccc(OC4CCCC4)cc3)nc2)[n-]c(=O)c1C ZINC000574553276 823763324 /nfs/dbraw/zinc/76/33/24/823763324.db2.gz DMKXQKJRZLABBI-UHFFFAOYSA-N -1 1 390.487 4.216 20 0 GIADMM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccccc2Br)CC1 ZINC000574645131 823789516 /nfs/dbraw/zinc/78/95/16/823789516.db2.gz SKXJTYUCBRCUKW-UHFFFAOYSA-N -1 1 378.266 4.428 20 0 GIADMM CCCCCOc1ccc(Br)cc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000164651321 823814432 /nfs/dbraw/zinc/81/44/32/823814432.db2.gz WFDWLGNTPYBQRS-CQSZACIVSA-N -1 1 384.314 4.315 20 0 GIADMM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1sccc1Br ZINC000126227480 823816280 /nfs/dbraw/zinc/81/62/80/823816280.db2.gz BJRXYUUKJSJSMV-CQSZACIVSA-N -1 1 398.303 4.172 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)c1 ZINC000064478380 823827302 /nfs/dbraw/zinc/82/73/02/823827302.db2.gz LEKGWYIVTGAMRL-UHFFFAOYSA-N -1 1 399.443 4.408 20 0 GIADMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1F ZINC000064680209 823861851 /nfs/dbraw/zinc/86/18/51/823861851.db2.gz BCCZNYDCFULDOX-UHFFFAOYSA-N -1 1 390.421 4.130 20 0 GIADMM CSc1cc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)ccc1Cl ZINC000413943351 823873795 /nfs/dbraw/zinc/87/37/95/823873795.db2.gz IAMLIZCSSMUIII-UHFFFAOYSA-N -1 1 383.926 4.159 20 0 GIADMM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462303580 823917748 /nfs/dbraw/zinc/91/77/48/823917748.db2.gz AKDHGMKEQYWPSL-SWLSCSKDSA-N -1 1 392.329 4.072 20 0 GIADMM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1cc(Cl)sc1Cl ZINC000462305759 823918454 /nfs/dbraw/zinc/91/84/54/823918454.db2.gz MJWPKFZDTSEBJM-UHFFFAOYSA-N -1 1 389.285 4.188 20 0 GIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000462361168 823940667 /nfs/dbraw/zinc/94/06/67/823940667.db2.gz SHJBHIJOCMBGTK-UHFFFAOYSA-N -1 1 398.871 4.444 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)on1 ZINC000462410402 823964097 /nfs/dbraw/zinc/96/40/97/823964097.db2.gz SQSMMWLRKNBKKX-UHFFFAOYSA-N -1 1 377.293 4.364 20 0 GIADMM COc1ccccc1CSc1ccccc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000414373594 823967974 /nfs/dbraw/zinc/96/79/74/823967974.db2.gz MWMMZDUDJIEQTN-UHFFFAOYSA-N -1 1 395.546 4.154 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)(F)F)C3)c(C)s1 ZINC000414389207 823970816 /nfs/dbraw/zinc/97/08/16/823970816.db2.gz PFTAVZQSMJIJDC-UHFFFAOYSA-N -1 1 390.452 4.044 20 0 GIADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000126939646 823985692 /nfs/dbraw/zinc/98/56/92/823985692.db2.gz PSNBDGFKPKGJCJ-HNNXBMFYSA-N -1 1 380.945 4.450 20 0 GIADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000126939931 823985878 /nfs/dbraw/zinc/98/58/78/823985878.db2.gz PSNBDGFKPKGJCJ-OAHLLOKOSA-N -1 1 380.945 4.450 20 0 GIADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc21 ZINC000126951130 823988102 /nfs/dbraw/zinc/98/81/02/823988102.db2.gz GJHYUOYRJBBLLI-INIZCTEOSA-N -1 1 392.480 4.251 20 0 GIADMM CCOc1cc(-c2noc(CC3CCSCC3)n2)cc(Br)c1[O-] ZINC000127038892 824005131 /nfs/dbraw/zinc/00/51/31/824005131.db2.gz FUQQGVIGEBJJJF-UHFFFAOYSA-N -1 1 399.310 4.289 20 0 GIADMM Cc1cccc2c1CCN(C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C2 ZINC000170923823 824006055 /nfs/dbraw/zinc/00/60/55/824006055.db2.gz ZLFOHGQQOBDYPI-UHFFFAOYSA-N -1 1 398.919 4.154 20 0 GIADMM O=C([O-])[C@H]1CCN(Cc2c(Cl)cccc2OCc2ccccc2Cl)C1 ZINC000414684699 824023491 /nfs/dbraw/zinc/02/34/91/824023491.db2.gz RLOASODHISCMCI-ZDUSSCGKSA-N -1 1 380.271 4.479 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000414684719 824023698 /nfs/dbraw/zinc/02/36/98/824023698.db2.gz ROBZSKUNGWXFSX-MRXNPFEDSA-N -1 1 389.879 4.224 20 0 GIADMM O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008289210 206223894 /nfs/dbraw/zinc/22/38/94/206223894.db2.gz AILFJDKPVJWDLX-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000008289211 206224897 /nfs/dbraw/zinc/22/48/97/206224897.db2.gz KZCYXXIFPLTAHT-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000004879222 206214371 /nfs/dbraw/zinc/21/43/71/206214371.db2.gz OJMSRFGDKJQNMX-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)c1 ZINC000175837016 823051642 /nfs/dbraw/zinc/05/16/42/823051642.db2.gz FISRGROENJSODW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=c1nc(C(Cl)=Cc2ccc([O-])c(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000120733074 823054216 /nfs/dbraw/zinc/05/42/16/823054216.db2.gz SPPUWQBLQJVVNJ-YRNVUSSQSA-N -1 1 376.840 4.445 20 0 GIADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccco1 ZINC000187540790 823085492 /nfs/dbraw/zinc/08/54/92/823085492.db2.gz FBRGWHPTGSUIGB-LJQANCHMSA-N -1 1 389.498 4.078 20 0 GIADMM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000187727667 823120822 /nfs/dbraw/zinc/12/08/22/823120822.db2.gz GRTKZTONAYPTEA-DNVCBOLYSA-N -1 1 387.505 4.140 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(CC2CC2)c2ccccc2)c1 ZINC000176204970 823152252 /nfs/dbraw/zinc/15/22/52/823152252.db2.gz ZJFYJBSDKRTRGP-UHFFFAOYSA-N -1 1 378.501 4.359 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Cl)cc1 ZINC000176207052 823152917 /nfs/dbraw/zinc/15/29/17/823152917.db2.gz HQTRDVXMSMESBK-UHFFFAOYSA-N -1 1 375.837 4.068 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C3(C)CC3)c2)cc1 ZINC000176255371 823164408 /nfs/dbraw/zinc/16/44/08/823164408.db2.gz OJGQGCDWDRBUMQ-INIZCTEOSA-N -1 1 386.517 4.056 20 0 GIADMM CCc1nc(SCc2cc(OC)c(OC)cc2Br)[n-]c(=O)c1C ZINC000571345482 823168316 /nfs/dbraw/zinc/16/83/16/823168316.db2.gz POPFJFTUMUBXPZ-UHFFFAOYSA-N -1 1 399.310 4.125 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)n1 ZINC000188091522 823184774 /nfs/dbraw/zinc/18/47/74/823184774.db2.gz YJRPSHFYARRGKV-IBGZPJMESA-N -1 1 379.485 4.113 20 0 GIADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000121450632 823187018 /nfs/dbraw/zinc/18/70/18/823187018.db2.gz JKOGBOKQRAMDGV-INIZCTEOSA-N -1 1 380.469 4.230 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@@H]4C[C@@H]4C)no3)cc2)cc1 ZINC000571489855 823190805 /nfs/dbraw/zinc/19/08/05/823190805.db2.gz OZALDQSGVYLZDA-SCLBCKFNSA-N -1 1 399.472 4.060 20 0 GIADMM CN(C)c1ccc(Cl)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000121680420 823229265 /nfs/dbraw/zinc/22/92/65/823229265.db2.gz LRKBJSCJYJCOKZ-UHFFFAOYSA-N -1 1 393.925 4.027 20 0 GIADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000571768264 823232072 /nfs/dbraw/zinc/23/20/72/823232072.db2.gz JIJJKKDUZMFWTM-GFCCVEGCSA-N -1 1 381.806 4.255 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@H](C)C3CC3)C3CC3)c2)cc1 ZINC000056935014 823232620 /nfs/dbraw/zinc/23/26/20/823232620.db2.gz BFDSGGMRNLCAOE-MRXNPFEDSA-N -1 1 398.528 4.199 20 0 GIADMM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000188440744 823241191 /nfs/dbraw/zinc/24/11/91/823241191.db2.gz CTEYVUAKTRAJEH-XMMPIXPASA-N -1 1 397.587 4.257 20 0 GIADMM CC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000121762231 823245168 /nfs/dbraw/zinc/24/51/68/823245168.db2.gz BPDWUALYFLZWIF-IUODEOHRSA-N -1 1 378.929 4.346 20 0 GIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1)C1CC1 ZINC000176676393 823264971 /nfs/dbraw/zinc/26/49/71/823264971.db2.gz KSRGKVDBQNYQTQ-UHFFFAOYSA-N -1 1 394.496 4.152 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 ZINC000176708540 823273832 /nfs/dbraw/zinc/27/38/32/823273832.db2.gz QWPUEXTXIJCAJM-UHFFFAOYSA-N -1 1 378.469 4.228 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1 ZINC000005579437 817597484 /nfs/dbraw/zinc/59/74/84/817597484.db2.gz VJXXCMWCKCVTRZ-UHFFFAOYSA-N -1 1 393.468 4.119 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1C ZINC000057289073 823276225 /nfs/dbraw/zinc/27/62/25/823276225.db2.gz RHVLJMVIONKOJN-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM CCc1cccc(CC)c1Nc1nc([O-])c(CC(=O)Nc2ccc(F)cc2)s1 ZINC000007126890 817767575 /nfs/dbraw/zinc/76/75/75/817767575.db2.gz QLMARRIIXYYCGP-KRWDZBQOSA-N -1 1 399.491 4.389 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000121973844 823287388 /nfs/dbraw/zinc/28/73/88/823287388.db2.gz ZMMVBWGBNDYEPN-UHFFFAOYSA-N -1 1 399.560 4.094 20 0 GIADMM Cc1ccc(C(C)C)cc1OCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007248588 817803809 /nfs/dbraw/zinc/80/38/09/817803809.db2.gz IODMWOQGGCUZOH-UHFFFAOYSA-N -1 1 382.412 4.053 20 0 GIADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000007325550 817818022 /nfs/dbraw/zinc/81/80/22/817818022.db2.gz PRKMSHXDSGFKRV-UHFFFAOYSA-N -1 1 398.528 4.427 20 0 GIADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000007428108 817838393 /nfs/dbraw/zinc/83/83/93/817838393.db2.gz LBOJQUKLHRILLV-UHFFFAOYSA-N -1 1 388.258 4.096 20 0 GIADMM COc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c2ccccc12 ZINC000007497556 817855667 /nfs/dbraw/zinc/85/56/67/817855667.db2.gz LFCMYOWTBDQXPS-UHFFFAOYSA-N -1 1 376.364 4.017 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000007502006 817856660 /nfs/dbraw/zinc/85/66/60/817856660.db2.gz NDAJTSCTJWVAAA-UHFFFAOYSA-N -1 1 383.498 4.480 20 0 GIADMM CCCNC(=S)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C ZINC000007528141 817862478 /nfs/dbraw/zinc/86/24/78/817862478.db2.gz QCZLGSGJISAHJR-UHFFFAOYSA-N -1 1 397.953 4.146 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)[n-]c(=O)c1C ZINC000572180046 823295619 /nfs/dbraw/zinc/29/56/19/823295619.db2.gz LWEZLZMRVBPONS-GJZGRUSLSA-N -1 1 399.560 4.290 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000057465969 823300357 /nfs/dbraw/zinc/30/03/57/823300357.db2.gz ODQNFCORHQLACX-UHFFFAOYSA-N -1 1 384.432 4.252 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)ccc3C)cc2)cc1 ZINC000008033312 817986034 /nfs/dbraw/zinc/98/60/34/817986034.db2.gz HDXZOZQKTKTLJS-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)c1 ZINC000008033597 817986815 /nfs/dbraw/zinc/98/68/15/817986815.db2.gz FRFIRUHNRKBVRY-OXQOHEQNSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1 ZINC000008033584 817986847 /nfs/dbraw/zinc/98/68/47/817986847.db2.gz YMHOUWHHMJRLKU-JXFKEZNVSA-N -1 1 386.517 4.104 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)cc1 ZINC000122091788 823304981 /nfs/dbraw/zinc/30/49/81/823304981.db2.gz MSORFKMAXZPJES-LBPRGKRZSA-N -1 1 380.897 4.014 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000008195761 818016437 /nfs/dbraw/zinc/01/64/37/818016437.db2.gz BMMHPLURGOCALU-KRWDZBQOSA-N -1 1 394.496 4.287 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000012829164 818184800 /nfs/dbraw/zinc/18/48/00/818184800.db2.gz HYNTWRDCIXDVOX-UHFFFAOYSA-N -1 1 399.545 4.280 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)ccc1C ZINC000122198622 823320577 /nfs/dbraw/zinc/32/05/77/823320577.db2.gz DKKWBJDBVAACNE-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000014683773 818258615 /nfs/dbraw/zinc/25/86/15/818258615.db2.gz PKEWQDSWLWDFLZ-AWEZNQCLSA-N -1 1 386.546 4.197 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2)ccc1F ZINC000015349538 818315210 /nfs/dbraw/zinc/31/52/10/818315210.db2.gz GABMKSPDYWSUPQ-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)ccc1F ZINC000015348696 818315391 /nfs/dbraw/zinc/31/53/91/818315391.db2.gz FZDRXONLFUJUJY-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)c1 ZINC000015354304 818315903 /nfs/dbraw/zinc/31/59/03/818315903.db2.gz HVMYYTMMHZAGAV-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3F)cc2)cc1 ZINC000015539688 818334958 /nfs/dbraw/zinc/33/49/58/818334958.db2.gz LVWYZGPSKIHISX-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000015592978 818343826 /nfs/dbraw/zinc/34/38/26/818343826.db2.gz TWSCVTNYLNRMSC-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000015805398 818369785 /nfs/dbraw/zinc/36/97/85/818369785.db2.gz RYJADVBBEXNMTC-LLVKDONJSA-N -1 1 395.912 4.224 20 0 GIADMM O=C([N-]NC(=O)c1ccc(Cl)cc1Cl)c1cc2cc(F)ccc2s1 ZINC000015811208 818370844 /nfs/dbraw/zinc/37/08/44/818370844.db2.gz FLXAHAMPKWRISM-UHFFFAOYSA-N -1 1 383.231 4.422 20 0 GIADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000016126571 818395801 /nfs/dbraw/zinc/39/58/01/818395801.db2.gz QWBSUAWZNUSOID-UHFFFAOYSA-N -1 1 386.517 4.285 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000016598943 818458352 /nfs/dbraw/zinc/45/83/52/818458352.db2.gz MMANMTBJSMJHHP-UHFFFAOYSA-N -1 1 390.468 4.408 20 0 GIADMM Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000188995320 823339121 /nfs/dbraw/zinc/33/91/21/823339121.db2.gz XRCAVJZAFMSUES-KRWDZBQOSA-N -1 1 384.501 4.481 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000017320031 818509368 /nfs/dbraw/zinc/50/93/68/818509368.db2.gz RNUQTFGLJIFRPW-UHFFFAOYSA-N -1 1 379.528 4.169 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1 ZINC000017356928 818511890 /nfs/dbraw/zinc/51/18/90/818511890.db2.gz HBZRAIQROQLXJH-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCCC1 ZINC000058058966 823358410 /nfs/dbraw/zinc/35/84/10/823358410.db2.gz LXNMIWKIYJEUKB-UHFFFAOYSA-N -1 1 378.881 4.270 20 0 GIADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c1C ZINC000058059381 823358531 /nfs/dbraw/zinc/35/85/31/823358531.db2.gz TVWCWMFPTOZOQH-UHFFFAOYSA-N -1 1 388.533 4.104 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C)n3)c2)c1 ZINC000021894351 818752912 /nfs/dbraw/zinc/75/29/12/818752912.db2.gz WHMKZAGALRFGSA-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc3ccccc32)c(=O)[n-]1 ZINC000022228827 818784260 /nfs/dbraw/zinc/78/42/60/818784260.db2.gz PPSPCSQVBJWICH-ZDUSSCGKSA-N -1 1 381.501 4.176 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c(F)cccc1F ZINC000058143234 823364535 /nfs/dbraw/zinc/36/45/35/823364535.db2.gz HYACIHDSGYLKRS-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CCCCS[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058144459 823364891 /nfs/dbraw/zinc/36/48/91/823364891.db2.gz NXQLYZBLWOZFOB-HNNXBMFYSA-N -1 1 392.546 4.348 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)(C)C)no3)cc2)ccc1F ZINC000572589166 823365997 /nfs/dbraw/zinc/36/59/97/823365997.db2.gz JANLTBBRXNZIMD-UHFFFAOYSA-N -1 1 389.452 4.282 20 0 GIADMM Cc1ccccc1OCCCN(C)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206136 823368772 /nfs/dbraw/zinc/36/87/72/823368772.db2.gz KRLCDJWDJMZZDF-UHFFFAOYSA-N -1 1 388.562 4.260 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)n1 ZINC000022931352 818878198 /nfs/dbraw/zinc/87/81/98/818878198.db2.gz XNDSVFFKNREQHB-OLZOCXBDSA-N -1 1 385.489 4.239 20 0 GIADMM CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000022993237 818886151 /nfs/dbraw/zinc/88/61/51/818886151.db2.gz MXERDDYRJWWUJW-UHFFFAOYSA-N -1 1 396.896 4.221 20 0 GIADMM Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000122551238 823371073 /nfs/dbraw/zinc/37/10/73/823371073.db2.gz ZCDYJYAYZMBDDZ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CCCC1 ZINC000058365836 823383477 /nfs/dbraw/zinc/38/34/77/823383477.db2.gz OOULRJXIBMBJOP-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460424272 823384741 /nfs/dbraw/zinc/38/47/41/823384741.db2.gz JTILKOWAOXQZCN-UHFFFAOYSA-N -1 1 381.375 4.424 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc(C)c1F ZINC000460439302 823389843 /nfs/dbraw/zinc/38/98/43/823389843.db2.gz XZEGXTMBFWPGFR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM C[C@@H]1c2ccccc2CCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000177193502 823395611 /nfs/dbraw/zinc/39/56/11/823395611.db2.gz XFDJUBACRVNKPW-CYBMUJFWSA-N -1 1 384.530 4.205 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccc(Cl)c2ccccc21 ZINC000122837976 823420898 /nfs/dbraw/zinc/42/08/98/823420898.db2.gz OMQUHVLXETYFMV-UHFFFAOYSA-N -1 1 384.848 4.079 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)[n-]c(=O)c1C ZINC000573022256 823434761 /nfs/dbraw/zinc/43/47/61/823434761.db2.gz XYWJKPCTVXCNCH-HNNXBMFYSA-N -1 1 399.516 4.476 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000024812507 819880303 /nfs/dbraw/zinc/88/03/03/819880303.db2.gz WQGDLBYXERHOQQ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCC(C)C)c1 ZINC000025328361 819962972 /nfs/dbraw/zinc/96/29/72/819962972.db2.gz VRFUHYAUWMCVDD-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000025345165 819967133 /nfs/dbraw/zinc/96/71/33/819967133.db2.gz VLDINESIDZJRQX-HNNXBMFYSA-N -1 1 390.553 4.337 20 0 GIADMM CCCCCC[C@@H](C)NC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000026182721 820067852 /nfs/dbraw/zinc/06/78/52/820067852.db2.gz OHPYQIRJPZVUFR-CQSZACIVSA-N -1 1 388.537 4.421 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000026548133 820112549 /nfs/dbraw/zinc/11/25/49/820112549.db2.gz ZSCJDKDXGKNOMX-UHFFFAOYSA-N -1 1 382.441 4.222 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)c3ccccc3)c2)c1 ZINC000027177988 820206575 /nfs/dbraw/zinc/20/65/75/820206575.db2.gz NNESDHYKFXGJNI-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCC(C)(C)C ZINC000027366606 820232212 /nfs/dbraw/zinc/23/22/12/820232212.db2.gz OCIFYDOEDKQXDO-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027698268 820277092 /nfs/dbraw/zinc/27/70/92/820277092.db2.gz RRHFHOLVLXPYAV-OXQOHEQNSA-N -1 1 386.517 4.186 20 0 GIADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000027698303 820277106 /nfs/dbraw/zinc/27/71/06/820277106.db2.gz DMERWGSMYADIOR-OXQOHEQNSA-N -1 1 386.517 4.186 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3csc([C@@H]4CCCO4)n3)s2)c(C)c1 ZINC000123140227 823468898 /nfs/dbraw/zinc/46/88/98/823468898.db2.gz SOUJZHBZEHDETM-AWEZNQCLSA-N -1 1 386.502 4.382 20 0 GIADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)N1CCCC1 ZINC000028927290 820374439 /nfs/dbraw/zinc/37/44/39/820374439.db2.gz PPDRPQXMEUOPMR-UHFFFAOYSA-N -1 1 399.299 4.030 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000029448028 820457193 /nfs/dbraw/zinc/45/71/93/820457193.db2.gz NHFLPIAXIMVCAM-HNNXBMFYSA-N -1 1 392.496 4.196 20 0 GIADMM CC(C)(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)no1 ZINC000460694271 823483367 /nfs/dbraw/zinc/48/33/67/823483367.db2.gz OMDWQLVUDLAFLR-UHFFFAOYSA-N -1 1 399.472 4.025 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000030364752 820606515 /nfs/dbraw/zinc/60/65/15/820606515.db2.gz DIIOTHXIPNMLES-MRXNPFEDSA-N -1 1 391.924 4.162 20 0 GIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030382124 820608889 /nfs/dbraw/zinc/60/88/89/820608889.db2.gz KQFUKUXFLODYKN-JXFKEZNVSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(Br)c1 ZINC000123289651 823491124 /nfs/dbraw/zinc/49/11/24/823491124.db2.gz DYIVEEFTWBUAKF-UHFFFAOYSA-N -1 1 377.263 4.107 20 0 GIADMM C[C@@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(C)(C)C ZINC000030424344 820616026 /nfs/dbraw/zinc/61/60/26/820616026.db2.gz VHKPPVZXFXKJKC-CQSZACIVSA-N -1 1 392.496 4.133 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000030477491 820621342 /nfs/dbraw/zinc/62/13/42/820621342.db2.gz UHYJXDQVOJOXFA-JTQLQIEISA-N -1 1 399.438 4.041 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000031382198 820801260 /nfs/dbraw/zinc/80/12/60/820801260.db2.gz IKPLMTWRWKUNJF-WMLDXEAASA-N -1 1 388.537 4.043 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)c1C ZINC000031716333 820850377 /nfs/dbraw/zinc/85/03/77/820850377.db2.gz JOICAWOGOVJLDT-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000031719902 820851041 /nfs/dbraw/zinc/85/10/41/820851041.db2.gz DXIMILAROGJDCE-UHFFFAOYSA-N -1 1 394.452 4.111 20 0 GIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c(C)c1C ZINC000031941552 820877261 /nfs/dbraw/zinc/87/72/61/820877261.db2.gz FRDGCTQUZCAWKW-UHFFFAOYSA-N -1 1 388.533 4.168 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OC(C)C)c1 ZINC000032287011 820907753 /nfs/dbraw/zinc/90/77/53/820907753.db2.gz XDYVZCHDDFXZAV-UHFFFAOYSA-N -1 1 382.489 4.342 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000032369594 820927399 /nfs/dbraw/zinc/92/73/99/820927399.db2.gz SCWRSRTZNRUUFB-UHFFFAOYSA-N -1 1 398.459 4.293 20 0 GIADMM O=S(=O)([N-]Nc1c(Cl)cc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000032531907 820965292 /nfs/dbraw/zinc/96/52/92/820965292.db2.gz IWBWPAHYACXWST-UHFFFAOYSA-N -1 1 387.622 4.230 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1Cl ZINC000032591082 820973478 /nfs/dbraw/zinc/97/34/78/820973478.db2.gz ZHNKPHWAUIFJHB-UHFFFAOYSA-N -1 1 381.881 4.471 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000032589127 820973540 /nfs/dbraw/zinc/97/35/40/820973540.db2.gz BVKDVZKADJDYEL-UHFFFAOYSA-N -1 1 379.837 4.464 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F ZINC000032631468 820980946 /nfs/dbraw/zinc/98/09/46/820980946.db2.gz NBIKSUIHXQMLPB-IBGZPJMESA-N -1 1 396.443 4.291 20 0 GIADMM O=C(CCCc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401592 823523764 /nfs/dbraw/zinc/52/37/64/823523764.db2.gz XORVWAQRPSTZSQ-UHFFFAOYSA-N -1 1 394.496 4.449 20 0 GIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000033097904 821033301 /nfs/dbraw/zinc/03/33/01/821033301.db2.gz QUZYCINFADMAFY-APWZRJJASA-N -1 1 386.517 4.138 20 0 GIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000033098672 821033619 /nfs/dbraw/zinc/03/36/19/821033619.db2.gz TYAKMLVXGNGWKL-APWZRJJASA-N -1 1 386.517 4.138 20 0 GIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1cccc2ncccc21 ZINC000460825412 823523302 /nfs/dbraw/zinc/52/33/02/823523302.db2.gz UUYBHKACPDKPKC-UHFFFAOYSA-N -1 1 386.448 4.496 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 ZINC000033543287 821057265 /nfs/dbraw/zinc/05/72/65/821057265.db2.gz FZXWAXNXCVYBLU-UHFFFAOYSA-N -1 1 377.425 4.204 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000460831016 823524507 /nfs/dbraw/zinc/52/45/07/823524507.db2.gz MWBDUAWHMZYBDC-UHFFFAOYSA-N -1 1 390.480 4.051 20 0 GIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000460837624 823525869 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COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c(C)c1F ZINC000181145095 821662286 /nfs/dbraw/zinc/66/22/86/821662286.db2.gz ZOOLBQVCOPEBSV-UHFFFAOYSA-N -1 1 386.448 4.314 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(OCC(F)F)cc1 ZINC000181728737 821964305 /nfs/dbraw/zinc/96/43/05/821964305.db2.gz KKIFJMONRHIFFZ-UHFFFAOYSA-N -1 1 394.399 4.150 20 0 GIADMM O=S(=O)(/C=C/c1cccc(Br)c1)Nc1ccc([O-])c(Cl)c1 ZINC000182492024 822265332 /nfs/dbraw/zinc/26/53/32/822265332.db2.gz ALLMOMMPPMTTOX-VOTSOKGWSA-N -1 1 388.670 4.221 20 0 GIADMM C[C@H](SCc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045059927 822360441 /nfs/dbraw/zinc/36/04/41/822360441.db2.gz NPYZRCYFNNUGBM-INIZCTEOSA-N -1 1 383.513 4.135 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000178266378 822360813 /nfs/dbraw/zinc/36/08/13/822360813.db2.gz CTPHDEJOKOEMNO-OALUTQOASA-N -1 1 398.528 4.058 20 0 GIADMM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000182831304 822374833 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Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000183599674 822499538 /nfs/dbraw/zinc/49/95/38/822499538.db2.gz SSJUCEBEAXGGSP-UHFFFAOYSA-N -1 1 385.601 4.277 20 0 GIADMM CC(C)C1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000179621343 822514372 /nfs/dbraw/zinc/51/43/72/822514372.db2.gz HOHYMNOSDVGCES-UHFFFAOYSA-N -1 1 388.386 4.011 20 0 GIADMM CC(C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000047043300 822539942 /nfs/dbraw/zinc/53/99/42/822539942.db2.gz ZMXMCUQOQWYVDM-JOCHJYFZSA-N -1 1 394.515 4.436 20 0 GIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1cccs1 ZINC000179753355 822543256 /nfs/dbraw/zinc/54/32/56/822543256.db2.gz FGUHTFRSTHSXBZ-GFCCVEGCSA-N -1 1 394.290 4.094 20 0 GIADMM C[C@@H](N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1(C)CC1 ZINC000179769525 822549035 /nfs/dbraw/zinc/54/90/35/822549035.db2.gz NVBUYJQBTUSYJJ-GFCCVEGCSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCCc2ccccc2)cc1 ZINC000047164007 822549509 /nfs/dbraw/zinc/54/95/09/822549509.db2.gz LHXUCSFYUQFODF-UHFFFAOYSA-N -1 1 394.544 4.397 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000047417210 822577476 /nfs/dbraw/zinc/57/74/76/822577476.db2.gz SFMSVPCKDGVNPZ-UHFFFAOYSA-N -1 1 377.516 4.107 20 0 GIADMM O=C([N-]NC(=O)C1CCCC1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000047451879 822581069 /nfs/dbraw/zinc/58/10/69/822581069.db2.gz DDIQRDVMORNPAI-UHFFFAOYSA-N -1 1 381.457 4.021 20 0 GIADMM CC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1Br ZINC000179947969 822583330 /nfs/dbraw/zinc/58/33/30/822583330.db2.gz RKNCJQABBGRNCB-UHFFFAOYSA-N -1 1 382.279 4.069 20 0 GIADMM CCCN(CCC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184146446 822585753 /nfs/dbraw/zinc/58/57/53/822585753.db2.gz FNRRPSKBIOTPBB-UHFFFAOYSA-N -1 1 375.494 4.141 20 0 GIADMM CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047583155 822593463 /nfs/dbraw/zinc/59/34/63/822593463.db2.gz ZXLCRVJHDUBZMO-UHFFFAOYSA-N -1 1 386.423 4.057 20 0 GIADMM CC(C)Oc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000048192098 822643843 /nfs/dbraw/zinc/64/38/43/822643843.db2.gz XCIRQTDYFZRSCC-UHFFFAOYSA-N -1 1 382.460 4.306 20 0 GIADMM O=C(Nc1ccc(Cl)c(F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000048467932 822665168 /nfs/dbraw/zinc/66/51/68/822665168.db2.gz KLDJGTIZNVSOFQ-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184876526 822705362 /nfs/dbraw/zinc/70/53/62/822705362.db2.gz CDFDDWDTGZHTAC-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM CC[C@@H]1CCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455761953 822721799 /nfs/dbraw/zinc/72/17/99/822721799.db2.gz APLGIQLDHFDSQQ-GOSISDBHSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCC3CCC3)c2)c1 ZINC000455775393 822724392 /nfs/dbraw/zinc/72/43/92/822724392.db2.gz BMYLHFAYEKGZCR-UHFFFAOYSA-N -1 1 387.505 4.026 20 0 GIADMM Cc1ccc(NC(=O)N(C)C2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455779826 822725263 /nfs/dbraw/zinc/72/52/63/822725263.db2.gz WQKRBKTXXKGULM-UHFFFAOYSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455801563 822728866 /nfs/dbraw/zinc/72/88/66/822728866.db2.gz UTRDYEMPGYAJHC-INIZCTEOSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc1-c1ccccc1 ZINC000185054375 822729938 /nfs/dbraw/zinc/72/99/38/822729938.db2.gz MQHXFBICJNSBBV-MRXNPFEDSA-N -1 1 397.544 4.233 20 0 GIADMM CCS[C@H]1CC[C@@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000174410984 822786563 /nfs/dbraw/zinc/78/65/63/822786563.db2.gz ZCEJGRFDEJWLQT-CVEARBPZSA-N -1 1 390.578 4.049 20 0 GIADMM CC(C)Oc1ccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(F)c1 ZINC000052080141 822790046 /nfs/dbraw/zinc/79/00/46/822790046.db2.gz HXIZROPKYKWYHW-UHFFFAOYSA-N -1 1 392.481 4.234 20 0 GIADMM CN(Cc1cc2ccccc2o1)C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000174695963 822824523 /nfs/dbraw/zinc/82/45/23/822824523.db2.gz MMOAXILKFNJMRQ-UHFFFAOYSA-N -1 1 384.486 4.074 20 0 GIADMM COc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccco4)s3)cs2)cc1 ZINC000053210033 822826091 /nfs/dbraw/zinc/82/60/91/822826091.db2.gz IJFFZACGWNUTEM-UHFFFAOYSA-N -1 1 384.442 4.183 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)o1 ZINC000174767411 822834367 /nfs/dbraw/zinc/83/43/67/822834367.db2.gz VHRPWQBVLDQOLS-UHFFFAOYSA-N -1 1 377.853 4.062 20 0 GIADMM CCOc1cccc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000053511658 822837995 /nfs/dbraw/zinc/83/79/95/822837995.db2.gz PHMZVTSSPZYZEI-UHFFFAOYSA-N -1 1 396.516 4.021 20 0 GIADMM CCOc1cc(-c2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)ccc1O ZINC000053852749 822850972 /nfs/dbraw/zinc/85/09/72/822850972.db2.gz OZZHQSWBZQSAEV-UHFFFAOYSA-N -1 1 394.452 4.432 20 0 GIADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000174907978 822854034 /nfs/dbraw/zinc/85/40/34/822854034.db2.gz IRZWESHBBYEXEV-STQMWFEESA-N -1 1 378.567 4.390 20 0 GIADMM CCCCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000054164178 822864541 /nfs/dbraw/zinc/86/45/41/822864541.db2.gz XUXPWHVEUUVBOX-UHFFFAOYSA-N -1 1 388.518 4.487 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569081811 822878107 /nfs/dbraw/zinc/87/81/07/822878107.db2.gz MWROXJQZMIFWOK-UKRRQHHQSA-N -1 1 391.924 4.322 20 0 GIADMM CSc1nc(C)c(CCC(=O)Oc2ccc(-c3ccccc3)cc2)c(=O)[n-]1 ZINC000054564732 822895620 /nfs/dbraw/zinc/89/56/20/822895620.db2.gz LTGOXVGRLLXTFT-UHFFFAOYSA-N -1 1 380.469 4.005 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000054569623 822896143 /nfs/dbraw/zinc/89/61/43/822896143.db2.gz PHWXJKUQVSJFHP-UHFFFAOYSA-N -1 1 379.485 4.039 20 0 GIADMM Cc1c2ccccc2nc(N2CCN(C/C=C\c3ccccc3)CC2)c1C(=O)[O-] ZINC000569489796 822929152 /nfs/dbraw/zinc/92/91/52/822929152.db2.gz WBZYEUTUDGQAEG-YFHOEESVSA-N -1 1 387.483 4.077 20 0 GIADMM CCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)cc(Cl)c1[O-] ZINC000186658236 822931290 /nfs/dbraw/zinc/93/12/90/822931290.db2.gz BBRKJSLBVIZCFL-UHFFFAOYSA-N -1 1 375.852 4.258 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)C2CCCCC2)cc1 ZINC000175335754 822938704 /nfs/dbraw/zinc/93/87/04/822938704.db2.gz SBIBHCHSRAMIMD-AWEZNQCLSA-N -1 1 388.537 4.091 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC000186697468 822939575 /nfs/dbraw/zinc/93/95/75/822939575.db2.gz WTZBFORIVJNELO-FZKQIMNGSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc(Cl)c1[O-] ZINC000186794735 822956614 /nfs/dbraw/zinc/95/66/14/822956614.db2.gz RLWZWWLMBKAGQN-UHFFFAOYSA-N -1 1 390.867 4.143 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H](C)Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000186838035 822965111 /nfs/dbraw/zinc/96/51/11/822965111.db2.gz PNAKROIMHWZQHK-CYBMUJFWSA-N -1 1 377.868 4.156 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc(Cl)c1[O-] ZINC000186843430 822965874 /nfs/dbraw/zinc/96/58/74/822965874.db2.gz GUJXQOXNQBYPGC-CYBMUJFWSA-N -1 1 385.851 4.121 20 0 GIADMM CCOc1cc(C(=O)NC[C@H](O)c2cc3ccccc3s2)cc(Cl)c1[O-] ZINC000186862501 822970240 /nfs/dbraw/zinc/97/02/40/822970240.db2.gz JLFYHGGVDJIHNM-AWEZNQCLSA-N -1 1 391.876 4.122 20 0 GIADMM CCc1nc(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)[n-]c(=O)c1C ZINC000569825857 822973217 /nfs/dbraw/zinc/97/32/17/822973217.db2.gz NQXMOUADPSOSJY-HNNXBMFYSA-N -1 1 379.913 4.462 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000055595500 822985187 /nfs/dbraw/zinc/98/51/87/822985187.db2.gz RGEYIHRWUKWZJK-UHFFFAOYSA-N -1 1 399.299 4.451 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1C ZINC000055615191 822987545 /nfs/dbraw/zinc/98/75/45/822987545.db2.gz SPHRWAZBZSVJCQ-UHFFFAOYSA-N -1 1 380.469 4.421 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1 ZINC000055615606 822987683 /nfs/dbraw/zinc/98/76/83/822987683.db2.gz SGGUVKREFDJFRS-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccc1 ZINC000055619891 822988664 /nfs/dbraw/zinc/98/86/64/822988664.db2.gz SLVCTDTVIKZSAX-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc(Cl)c1[O-] ZINC000186980256 822991499 /nfs/dbraw/zinc/99/14/99/822991499.db2.gz CVOTVDNGAGNUEA-SFHVURJKSA-N -1 1 393.842 4.106 20 0 GIADMM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000055652341 822993538 /nfs/dbraw/zinc/99/35/38/822993538.db2.gz RHNIAHFTZGZYJH-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)c2ccccc12 ZINC000055674184 822996952 /nfs/dbraw/zinc/99/69/52/822996952.db2.gz UNVWZZHETFQBOB-UHFFFAOYSA-N -1 1 398.484 4.224 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)sc1Cl ZINC000190253844 823556529 /nfs/dbraw/zinc/55/65/29/823556529.db2.gz MAHJRJNFYTZORX-ZDUSSCGKSA-N -1 1 397.909 4.239 20 0 GIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1F ZINC000190322013 823562683 /nfs/dbraw/zinc/56/26/83/823562683.db2.gz NMWXQENEQNACNX-UHFFFAOYSA-N -1 1 386.178 4.220 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000124151837 823572361 /nfs/dbraw/zinc/57/23/61/823572361.db2.gz IGDKKOQTGKCTMR-UHFFFAOYSA-N -1 1 399.472 4.054 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000124714958 823620170 /nfs/dbraw/zinc/62/01/70/823620170.db2.gz NPMLIUXLXQUEMF-UHFFFAOYSA-N -1 1 389.546 4.107 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)c2ccccc12 ZINC000461346408 823621339 /nfs/dbraw/zinc/62/13/39/823621339.db2.gz YIHBKLYVVYRTJZ-UHFFFAOYSA-N -1 1 395.484 4.234 20 0 GIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000062294701 823627892 /nfs/dbraw/zinc/62/78/92/823627892.db2.gz LBADRNPGNXYFLQ-UHFFFAOYSA-N -1 1 388.272 4.112 20 0 GIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000461422647 823633326 /nfs/dbraw/zinc/63/33/26/823633326.db2.gz IYQCRRXCBKOHBN-UHFFFAOYSA-N -1 1 381.881 4.052 20 0 GIADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461430916 823635481 /nfs/dbraw/zinc/63/54/81/823635481.db2.gz RDQIPGNVILAWLP-UHFFFAOYSA-N -1 1 393.468 4.012 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC000124925540 823637715 /nfs/dbraw/zinc/63/77/15/823637715.db2.gz HCKOLKFQBZCZKR-NXHRZFHOSA-N -1 1 384.549 4.486 20 0 GIADMM CC1(C)CC(C(=O)Nc2cc([O-])c(Br)cc2Br)C1 ZINC000412286579 823642984 /nfs/dbraw/zinc/64/29/84/823642984.db2.gz HEIRYUZWTYNIAR-UHFFFAOYSA-N -1 1 377.076 4.292 20 0 GIADMM CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000063092920 823651330 /nfs/dbraw/zinc/65/13/30/823651330.db2.gz GRTITMQPAUEYSW-CYBMUJFWSA-N -1 1 388.414 4.185 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000063181213 823654637 /nfs/dbraw/zinc/65/46/37/823654637.db2.gz JATCBDOPGKJHGK-UHFFFAOYSA-N -1 1 380.897 4.496 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000063181321 823654715 /nfs/dbraw/zinc/65/47/15/823654715.db2.gz ATDSHJUFJOIBJB-UHFFFAOYSA-N -1 1 386.517 4.413 20 0 GIADMM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cnc([C@@H]2CCCO2)s1 ZINC000125365778 823670894 /nfs/dbraw/zinc/67/08/94/823670894.db2.gz RCTFAPFXLXGUOO-NSHDSACASA-N -1 1 392.893 4.419 20 0 GIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000125582862 823687284 /nfs/dbraw/zinc/68/72/84/823687284.db2.gz VFNZNHSGJGUXAU-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000063849536 823701857 /nfs/dbraw/zinc/70/18/57/823701857.db2.gz FNYINBXZODZQJZ-UHFFFAOYSA-N -1 1 389.395 4.311 20 0 GIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000063849347 823701953 /nfs/dbraw/zinc/70/19/53/823701953.db2.gz FENQRLHIOOOTQU-UHFFFAOYSA-N -1 1 384.295 4.175 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(C(F)F)cc1 ZINC000574358053 823707967 /nfs/dbraw/zinc/70/79/67/823707967.db2.gz HXFBJORCVKXUNP-UHFFFAOYSA-N -1 1 381.400 4.467 20 0 GIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(CC(F)(F)F)cc3)ccc21 ZINC000574398319 823719411 /nfs/dbraw/zinc/71/94/11/823719411.db2.gz IQFQQXCSOSVKOU-UHFFFAOYSA-N -1 1 383.391 4.111 20 0 GIADMM CCc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163889324 823757710 /nfs/dbraw/zinc/75/77/10/823757710.db2.gz MGRMHPYFOOKNRV-UHFFFAOYSA-N -1 1 379.485 4.039 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nc1-c1ccccc1 ZINC000163943929 823763714 /nfs/dbraw/zinc/76/37/14/823763714.db2.gz OFBJCVDONMQHBT-LJQANCHMSA-N -1 1 399.560 4.311 20 0 GIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000191889509 823804708 /nfs/dbraw/zinc/80/47/08/823804708.db2.gz MFQCSTPXHDHJFN-UHFFFAOYSA-N -1 1 391.436 4.288 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000064475791 823826228 /nfs/dbraw/zinc/82/62/28/823826228.db2.gz GKJVIAKCZNPGAC-UHFFFAOYSA-N -1 1 386.498 4.183 20 0 GIADMM O=C(CCc1cc(Cl)cs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000126399949 823857045 /nfs/dbraw/zinc/85/70/45/823857045.db2.gz JIIDWLNIRXQMSH-UHFFFAOYSA-N -1 1 377.893 4.161 20 0 GIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000413992359 823885016 /nfs/dbraw/zinc/88/50/16/823885016.db2.gz PDLQYZOZINNJCH-KRWDZBQOSA-N -1 1 396.535 4.158 20 0 GIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000575034792 823895454 /nfs/dbraw/zinc/89/54/54/823895454.db2.gz BEFWWFFCCZQDGU-UHFFFAOYSA-N -1 1 386.395 4.163 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000192215749 823905911 /nfs/dbraw/zinc/90/59/11/823905911.db2.gz CAIDEXBQVVNZJG-ZDUSSCGKSA-N -1 1 380.803 4.387 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1F ZINC000064937948 823915459 /nfs/dbraw/zinc/91/54/59/823915459.db2.gz ZFXOBQHKWBFOKW-UHFFFAOYSA-N -1 1 381.372 4.247 20 0 GIADMM Cc1nc(-c2ccc(NCCc3cccc(Cl)c3Cl)nc2)[n-]c(=O)c1C ZINC000462378621 823950223 /nfs/dbraw/zinc/95/02/23/823950223.db2.gz PYEGBFRHTQZWBV-UHFFFAOYSA-N -1 1 389.286 4.244 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c(C)c1C ZINC000414380726 823969655 /nfs/dbraw/zinc/96/96/55/823969655.db2.gz HCPDQCUYFKAFOR-UHFFFAOYSA-N -1 1 399.896 4.092 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(-c2ccncc2)on1 ZINC000170803717 823975722 /nfs/dbraw/zinc/97/57/22/823975722.db2.gz DCZKHYKXOGWUIR-UHFFFAOYSA-N -1 1 383.820 4.161 20 0 GIADMM C[C@H]1CN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)c2ccccc21 ZINC000126946300 823987223 /nfs/dbraw/zinc/98/72/23/823987223.db2.gz DKZFMGUWWIOLAA-LBPRGKRZSA-N -1 1 384.892 4.411 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000170952333 824015364 /nfs/dbraw/zinc/01/53/64/824015364.db2.gz TUSBKHZXUMPDEZ-CYBMUJFWSA-N -1 1 394.500 4.076 20 0 GIADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000006178186 204170165 /nfs/dbraw/zinc/17/01/65/204170165.db2.gz PQFKWOGLJHAVTI-QINHECLXSA-N -1 1 386.517 4.042 20 0 GIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccsc1 ZINC000007230645 204236369 /nfs/dbraw/zinc/23/63/69/204236369.db2.gz KLGUCVNADKLLIC-UHFFFAOYSA-N -1 1 394.424 4.079 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000071977962 205300148 /nfs/dbraw/zinc/30/01/48/205300148.db2.gz NXKLOGRUMFTKQR-UHFFFAOYSA-N -1 1 395.786 4.280 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000187454562 823066855 /nfs/dbraw/zinc/06/68/55/823066855.db2.gz UCRPOJQCDVNPGT-DEOSSOPVSA-N -1 1 379.547 4.097 20 0 GIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(SC)cc3)c2)n1 ZINC000175970127 823084805 /nfs/dbraw/zinc/08/48/05/823084805.db2.gz PIKLMDHBVXJANM-UHFFFAOYSA-N -1 1 389.502 4.130 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000175989571 823089698 /nfs/dbraw/zinc/08/96/98/823089698.db2.gz BMDKXOBYECLACP-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1nc(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)[n-]c(=O)c1C ZINC000570816686 823090983 /nfs/dbraw/zinc/09/09/83/823090983.db2.gz UBIRLGQEACSXED-KRWDZBQOSA-N -1 1 387.505 4.011 20 0 GIADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000175997147 823091379 /nfs/dbraw/zinc/09/13/79/823091379.db2.gz IPESTGVSTXENTB-NSHDSACASA-N -1 1 383.345 4.408 20 0 GIADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000571055033 823126017 /nfs/dbraw/zinc/12/60/17/823126017.db2.gz UZRHIVZHOCBICP-HZPDHXFCSA-N -1 1 384.314 4.173 20 0 GIADMM CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])[C@@H](C)C(C)C ZINC000571059059 823126296 /nfs/dbraw/zinc/12/62/96/823126296.db2.gz IEQWHEOQAXBJET-ZDUSSCGKSA-N -1 1 390.430 4.429 20 0 GIADMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1OC ZINC000571133548 823138774 /nfs/dbraw/zinc/13/87/74/823138774.db2.gz XXWCOKXOAUCRNR-UHFFFAOYSA-N -1 1 399.896 4.254 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000121219665 823141182 /nfs/dbraw/zinc/14/11/82/823141182.db2.gz VUMOKUQPFZNXST-UHFFFAOYSA-N -1 1 382.489 4.378 20 0 GIADMM CC(C)CCSCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000056397595 823142784 /nfs/dbraw/zinc/14/27/84/823142784.db2.gz WXJUAGNKVZHWOS-UHFFFAOYSA-N -1 1 392.546 4.205 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3F)s2)[n-]c1=O ZINC000188023992 823173426 /nfs/dbraw/zinc/17/34/26/823173426.db2.gz USZTWXXECGGRSF-ZRDIBKRKSA-N -1 1 384.432 4.375 20 0 GIADMM COC(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)s1 ZINC000121402717 823178260 /nfs/dbraw/zinc/17/82/60/823178260.db2.gz YMBBPXHKJJXCTO-UHFFFAOYSA-N -1 1 375.393 4.283 20 0 GIADMM O=C(Nc1nc(Br)ccc1[O-])c1ncoc1-c1ccccc1Cl ZINC000121553065 823204532 /nfs/dbraw/zinc/20/45/32/823204532.db2.gz XZHHERXWZKUVKL-UHFFFAOYSA-N -1 1 394.612 4.110 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)s2)c(C)c1 ZINC000121558966 823205727 /nfs/dbraw/zinc/20/57/27/823205727.db2.gz WFFDXHFHDLPHSZ-ZDUSSCGKSA-N -1 1 386.502 4.382 20 0 GIADMM CCCCN(C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S)c1ccccc1 ZINC000121560885 823205859 /nfs/dbraw/zinc/20/58/59/823205859.db2.gz ORZBILOLDWUTJS-UHFFFAOYSA-N -1 1 396.516 4.450 20 0 GIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176521691 823228357 /nfs/dbraw/zinc/22/83/57/823228357.db2.gz NACYGLSVDMBXBA-UKRRQHHQSA-N -1 1 384.530 4.074 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC000057115546 823250362 /nfs/dbraw/zinc/25/03/62/823250362.db2.gz NFSUYNVTLZESSW-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COc3ccc(F)cc3)c2)c1 ZINC000571906445 823252619 /nfs/dbraw/zinc/25/26/19/823252619.db2.gz XOQNHQFZWNUOJI-UHFFFAOYSA-N -1 1 394.402 4.321 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(F)cc1 ZINC000005171254 817556872 /nfs/dbraw/zinc/55/68/72/817556872.db2.gz KHTKSQQKYYHDCH-UHFFFAOYSA-N -1 1 380.400 4.148 20 0 GIADMM Cc1cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C)o1 ZINC000005172785 817557482 /nfs/dbraw/zinc/55/74/82/817557482.db2.gz BKHGGZPWZSEGMR-UHFFFAOYSA-N -1 1 380.425 4.218 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000005259997 817566122 /nfs/dbraw/zinc/56/61/22/817566122.db2.gz MJAMVXBJMPWAMJ-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000176708680 823273845 /nfs/dbraw/zinc/27/38/45/823273845.db2.gz HPZLDPUGUWIQJG-UHFFFAOYSA-N -1 1 378.469 4.228 20 0 GIADMM C[C@H](Nc1ccc(OC2COC2)cc1)c1cc(Br)cc(F)c1[O-] ZINC000188645189 823279228 /nfs/dbraw/zinc/27/92/28/823279228.db2.gz ZBPPCTNHYFXBED-JTQLQIEISA-N -1 1 382.229 4.245 20 0 GIADMM CCc1cc2c(COC(=O)c3c(F)cccc3Cl)cc(=O)oc2cc1[O-] ZINC000005872578 817626558 /nfs/dbraw/zinc/62/65/58/817626558.db2.gz SIRULUZGXNVXJA-UHFFFAOYSA-N -1 1 376.767 4.211 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1 ZINC000057288981 823276331 /nfs/dbraw/zinc/27/63/31/823276331.db2.gz BBTAQLLLDZGVNU-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM O=c1cc(CSc2nnc(C3CC3)n2-c2ccccc2)c2ccc([O-])cc2o1 ZINC000006128635 817659522 /nfs/dbraw/zinc/65/95/22/817659522.db2.gz JIEJVBCNISPZLB-UHFFFAOYSA-N -1 1 391.452 4.249 20 0 GIADMM CSc1ccc(Cl)c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000006610078 817709767 /nfs/dbraw/zinc/70/97/67/817709767.db2.gz NHSFYCDOXJPBKU-UHFFFAOYSA-N -1 1 376.817 4.231 20 0 GIADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007052691 817748037 /nfs/dbraw/zinc/74/80/37/817748037.db2.gz KUNVUSJHUALRKO-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000007127110 817767972 /nfs/dbraw/zinc/76/79/72/817767972.db2.gz XFESSABIOARXGR-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)[N-]C2=O)c(C)c1 ZINC000007154929 817773837 /nfs/dbraw/zinc/77/38/37/817773837.db2.gz MWRNVDXGBSZLPM-WQRHYEAKSA-N -1 1 375.453 4.480 20 0 GIADMM CSc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000007259339 817806373 /nfs/dbraw/zinc/80/63/73/817806373.db2.gz YRITVWUZMCVEES-UHFFFAOYSA-N -1 1 398.509 4.462 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1Br ZINC000007409115 817833627 /nfs/dbraw/zinc/83/36/27/817833627.db2.gz IFIOKDJLIOSYOP-UHFFFAOYSA-N -1 1 392.221 4.160 20 0 GIADMM COc1ccc(-c2noc([C@H](C)Sc3nc(C(F)F)cc(=O)[n-]3)n2)cc1 ZINC000572169559 823294049 /nfs/dbraw/zinc/29/40/49/823294049.db2.gz YJDMUKLMEMTGLK-QMMMGPOBSA-N -1 1 380.376 4.032 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1NC(C)=O ZINC000057465863 823300345 /nfs/dbraw/zinc/30/03/45/823300345.db2.gz COFQJJFIYAAPKK-UHFFFAOYSA-N -1 1 396.468 4.121 20 0 GIADMM CC(C)(C)SCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000122083423 823303484 /nfs/dbraw/zinc/30/34/84/823303484.db2.gz ZXDMNXNGSPENPZ-UHFFFAOYSA-N -1 1 388.514 4.227 20 0 GIADMM O=C(NC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007918479 817958136 /nfs/dbraw/zinc/95/81/36/817958136.db2.gz TYBIQXJVVHNJGE-UHFFFAOYSA-N -1 1 392.908 4.203 20 0 GIADMM Cc1ccc(F)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008033306 817986115 /nfs/dbraw/zinc/98/61/15/817986115.db2.gz WZTQLWLMZGRULB-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC000008205137 818018085 /nfs/dbraw/zinc/01/80/85/818018085.db2.gz ZLUTVQLPIXZFOK-CQSZACIVSA-N -1 1 381.501 4.257 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000122122735 823309798 /nfs/dbraw/zinc/30/97/98/823309798.db2.gz PFBYAQAYBMVQJT-UHFFFAOYSA-N -1 1 396.516 4.053 20 0 GIADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)o1 ZINC000011906644 818128464 /nfs/dbraw/zinc/12/84/64/818128464.db2.gz MPWOZXMWQFKKFE-UHFFFAOYSA-N -1 1 385.489 4.388 20 0 GIADMM Cc1ccc(CNC(=O)Cn2c(-c3ccc(Cl)cc3)n[n-]c2=S)cc1F ZINC000012488665 818164645 /nfs/dbraw/zinc/16/46/45/818164645.db2.gz DYNNTZBWVZFGLI-UHFFFAOYSA-N -1 1 390.871 4.025 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1cc2ccccc2s1 ZINC000012689588 818176096 /nfs/dbraw/zinc/17/60/96/818176096.db2.gz YGRAZOJRXJXYHQ-UHFFFAOYSA-N -1 1 393.493 4.408 20 0 GIADMM COc1ccc(C(=O)C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000012740255 818179845 /nfs/dbraw/zinc/17/98/45/818179845.db2.gz KRMISEZAFIUASI-UHFFFAOYSA-N -1 1 389.451 4.289 20 0 GIADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013278911 818208848 /nfs/dbraw/zinc/20/88/48/818208848.db2.gz FRTGVKXXLSNONX-UHFFFAOYSA-N -1 1 392.285 4.214 20 0 GIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1Cl ZINC000013362545 818210591 /nfs/dbraw/zinc/21/05/91/818210591.db2.gz XLMDSSBEUDBMJU-UHFFFAOYSA-N -1 1 388.272 4.038 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000015349385 818315436 /nfs/dbraw/zinc/31/54/36/818315436.db2.gz DSKFFKAZYJMLJK-UHFFFAOYSA-N -1 1 380.469 4.072 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000015352146 818315780 /nfs/dbraw/zinc/31/57/80/818315780.db2.gz MBWSAKBSFRDPEP-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC000015353738 818315980 /nfs/dbraw/zinc/31/59/80/818315980.db2.gz UAFGAFSTVOXJHW-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015352528 818316054 /nfs/dbraw/zinc/31/60/54/818316054.db2.gz DNBFGCARXAUZEK-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC000015412065 818322870 /nfs/dbraw/zinc/32/28/70/818322870.db2.gz HGFOVPYAVOHDRP-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(F)c1 ZINC000015544930 818336481 /nfs/dbraw/zinc/33/64/81/818336481.db2.gz PXYVMEFLHGFBKI-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1cccc(C)c1 ZINC000016317195 818422666 /nfs/dbraw/zinc/42/26/66/818422666.db2.gz PWDDYZFYVOLSBB-UHFFFAOYSA-N -1 1 382.514 4.058 20 0 GIADMM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000016504221 818450668 /nfs/dbraw/zinc/45/06/68/818450668.db2.gz ARPLCCCZPAAMAS-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM COc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000016639394 818461891 /nfs/dbraw/zinc/46/18/91/818461891.db2.gz OKFCNJIIZAEOGH-UHFFFAOYSA-N -1 1 394.909 4.360 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000017324083 818509911 /nfs/dbraw/zinc/50/99/11/818509911.db2.gz FSLYVRNESNAHSK-UHFFFAOYSA-N -1 1 386.908 4.276 20 0 GIADMM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000018079172 818543678 /nfs/dbraw/zinc/54/36/78/818543678.db2.gz YUQXZPDFQFLVSL-UHFFFAOYSA-N -1 1 394.924 4.368 20 0 GIADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189084005 823354578 /nfs/dbraw/zinc/35/45/78/823354578.db2.gz YTDNXDZHCSKINJ-UHFFFAOYSA-N -1 1 379.807 4.136 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2OC)cc1 ZINC000021216647 818665272 /nfs/dbraw/zinc/66/52/72/818665272.db2.gz JSZGEUKVHRDVRP-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)n[nH]1 ZINC000572556616 823360400 /nfs/dbraw/zinc/36/04/00/823360400.db2.gz UQGJGJZMDSQZED-UHFFFAOYSA-N -1 1 379.388 4.249 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3O)cc2)cc1C ZINC000022024271 818765438 /nfs/dbraw/zinc/76/54/38/818765438.db2.gz VHSLJLVFGSNQOJ-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022356729 818796604 /nfs/dbraw/zinc/79/66/04/818796604.db2.gz XAMDBVHMVYBDGZ-UHFFFAOYSA-N -1 1 378.255 4.434 20 0 GIADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc(Cl)c1F ZINC000572754286 823393077 /nfs/dbraw/zinc/39/30/77/823393077.db2.gz UJVQNZXNUUIWKE-UHFFFAOYSA-N -1 1 393.770 4.004 20 0 GIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460438530 823389604 /nfs/dbraw/zinc/38/96/04/823389604.db2.gz QJPJJMDYJZQLIF-UHFFFAOYSA-N -1 1 388.533 4.313 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000460458206 823396059 /nfs/dbraw/zinc/39/60/59/823396059.db2.gz KGQVHNYUHQUJQY-LJQANCHMSA-N -1 1 375.490 4.169 20 0 GIADMM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000122838291 823420964 /nfs/dbraw/zinc/42/09/64/823420964.db2.gz FPBMDTRLKZUJHG-LJQANCHMSA-N -1 1 375.472 4.198 20 0 GIADMM COc1cc(F)ccc1NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000025310869 819960622 /nfs/dbraw/zinc/96/06/22/819960622.db2.gz HWYRDAKNUZEFLT-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM CC(C)c1ccc(-c2nc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cs2)cc1 ZINC000026251815 820074941 /nfs/dbraw/zinc/07/49/41/820074941.db2.gz ORBYZFOTJJCEMW-UHFFFAOYSA-N -1 1 381.383 4.323 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000026544035 820111740 /nfs/dbraw/zinc/11/17/40/820111740.db2.gz REEXYQPOLJBCTO-UHFFFAOYSA-N -1 1 399.443 4.408 20 0 GIADMM CCCc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)sc1C ZINC000026949348 820167584 /nfs/dbraw/zinc/16/75/84/820167584.db2.gz BJEYCTUWALBVGT-UHFFFAOYSA-N -1 1 387.530 4.043 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1Cl ZINC000123090988 823460785 /nfs/dbraw/zinc/46/07/85/823460785.db2.gz UTEWBVUBULAIII-UHFFFAOYSA-N -1 1 396.921 4.092 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(F)c2)c1 ZINC000027392520 820238210 /nfs/dbraw/zinc/23/82/10/820238210.db2.gz IYQQILQDPFRDHF-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)cc1 ZINC000410331087 823465431 /nfs/dbraw/zinc/46/54/31/823465431.db2.gz SSCKFSRMNIRVDB-UHFFFAOYSA-N -1 1 388.533 4.055 20 0 GIADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cccc(Br)c1F ZINC000410352020 823471069 /nfs/dbraw/zinc/47/10/69/823471069.db2.gz HAXVVOZRLMJPOM-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Nc1c(Cl)cc(NC(=O)c2cc(Br)ccc2[O-])cc1Cl ZINC000028817552 820360621 /nfs/dbraw/zinc/36/06/21/820360621.db2.gz WMXHLAGDLFRWHS-UHFFFAOYSA-N -1 1 376.037 4.296 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000029448018 820456648 /nfs/dbraw/zinc/45/66/48/820456648.db2.gz AGLSCRSZUPMNRD-OAHLLOKOSA-N -1 1 392.496 4.196 20 0 GIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)cccc1C(=O)[O-] ZINC000410400300 823487185 /nfs/dbraw/zinc/48/71/85/823487185.db2.gz YSRVEENXJUDOHD-UHFFFAOYSA-N -1 1 377.462 4.096 20 0 GIADMM COc1c(C)ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1C ZINC000029914168 820547571 /nfs/dbraw/zinc/54/75/71/820547571.db2.gz YMLRAZLRSPAWNQ-UHFFFAOYSA-N -1 1 382.489 4.180 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1OCC ZINC000410405651 823488658 /nfs/dbraw/zinc/48/86/58/823488658.db2.gz YRJCCZJXPPNRNW-UHFFFAOYSA-N -1 1 392.521 4.495 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000030015135 820569576 /nfs/dbraw/zinc/56/95/76/820569576.db2.gz NXFCEFMOZJKTJK-GOEBONIOSA-N -1 1 388.537 4.091 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000410413204 823490332 /nfs/dbraw/zinc/49/03/32/823490332.db2.gz IYLCZSSYZKBBOS-UHFFFAOYSA-N -1 1 375.881 4.158 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)cc1 ZINC000030424557 820616710 /nfs/dbraw/zinc/61/67/10/820616710.db2.gz JKEXYYFMURXRAP-INIZCTEOSA-N -1 1 388.533 4.302 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1 ZINC000059994631 823504592 /nfs/dbraw/zinc/50/45/92/823504592.db2.gz XAXFHHFBQBLVJF-UHFFFAOYSA-N -1 1 399.447 4.098 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H](CC)C2)cc1 ZINC000031681878 820844700 /nfs/dbraw/zinc/84/47/00/820844700.db2.gz NDTFLJZHACKHIZ-HNNXBMFYSA-N -1 1 388.537 4.045 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)C(C)C)c2)c1 ZINC000031716694 820850295 /nfs/dbraw/zinc/85/02/95/820850295.db2.gz NQROZPFLXCBOMA-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C(C)C)ccc2C)cc1 ZINC000031716419 820850400 /nfs/dbraw/zinc/85/04/00/820850400.db2.gz FFHSSCHCRNCVNS-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM O=S(=O)([N-]c1cc(Br)ccc1Br)c1cccs1 ZINC000031720282 820851141 /nfs/dbraw/zinc/85/11/41/820851141.db2.gz BRCWCVIDXUQIIP-UHFFFAOYSA-N -1 1 397.113 4.074 20 0 GIADMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000031809531 820863722 /nfs/dbraw/zinc/86/37/22/820863722.db2.gz LXRCNGGTDKZOFH-UHFFFAOYSA-N -1 1 377.231 4.110 20 0 GIADMM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000177666058 823510768 /nfs/dbraw/zinc/51/07/68/823510768.db2.gz XCHIPMMGEZUARW-UHFFFAOYSA-N -1 1 381.863 4.295 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000032071738 820894032 /nfs/dbraw/zinc/89/40/32/820894032.db2.gz LGQHMEFWUPXTQZ-KRWDZBQOSA-N -1 1 388.533 4.365 20 0 GIADMM CCOC(=O)c1cc([N-]C(=O)c2scnc2C(F)(F)F)c(F)cc1C ZINC000410843724 823518406 /nfs/dbraw/zinc/51/84/06/823518406.db2.gz RCWVTVAGSUETFH-UHFFFAOYSA-N -1 1 376.331 4.038 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000032369858 820927281 /nfs/dbraw/zinc/92/72/81/820927281.db2.gz ZWDBEWQBOHMWRY-UHFFFAOYSA-N -1 1 395.912 4.224 20 0 GIADMM O=S(=O)([N-]c1cccc(OCc2cscn2)c1)c1ccc(F)c(Cl)c1 ZINC000060341809 823517452 /nfs/dbraw/zinc/51/74/52/823517452.db2.gz YTRXYFGFTFOFDY-UHFFFAOYSA-N -1 1 398.868 4.315 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c1 ZINC000032585717 820972345 /nfs/dbraw/zinc/97/23/45/820972345.db2.gz HDPZNWFOAMBOOH-UHFFFAOYSA-N -1 1 398.484 4.386 20 0 GIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1c(Cl)cccc1Cl ZINC000032632543 820980841 /nfs/dbraw/zinc/98/08/41/820980841.db2.gz PQQMDRBZIFGKKD-UHFFFAOYSA-N -1 1 394.663 4.219 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)c(C)c1 ZINC000060376732 823521496 /nfs/dbraw/zinc/52/14/96/823521496.db2.gz RFZNZUCVWSWGLI-UHFFFAOYSA-N -1 1 387.530 4.297 20 0 GIADMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000036833315 821086520 /nfs/dbraw/zinc/08/65/20/821086520.db2.gz OKNLIVQXEPLHMG-UHFFFAOYSA-N -1 1 396.516 4.331 20 0 GIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000037133026 821090416 /nfs/dbraw/zinc/09/04/16/821090416.db2.gz YLMUMDFAUISBNT-UHFFFAOYSA-N -1 1 379.894 4.026 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000060521882 823538167 /nfs/dbraw/zinc/53/81/67/823538167.db2.gz KATQMUXHMCPTCM-UHFFFAOYSA-N -1 1 394.258 4.035 20 0 GIADMM Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)on2)cc1 ZINC000042361454 821304646 /nfs/dbraw/zinc/30/46/46/821304646.db2.gz PXWDJZJEUICGOW-UHFFFAOYSA-N -1 1 390.439 4.091 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180717315 821415710 /nfs/dbraw/zinc/41/57/10/821415710.db2.gz LDJYKYJLWASMKH-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000180996591 821582241 /nfs/dbraw/zinc/58/22/41/821582241.db2.gz HQJNWJBROIJTJE-LLVKDONJSA-N -1 1 391.393 4.412 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(CC)s3)n2)n[n-]c1=S ZINC000044543554 821604904 /nfs/dbraw/zinc/60/49/04/821604904.db2.gz OYJKHZDORQRUGY-UHFFFAOYSA-N -1 1 391.547 4.050 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000181085070 821625131 /nfs/dbraw/zinc/62/51/31/821625131.db2.gz QHHOQAKYOLDADG-UHFFFAOYSA-N -1 1 390.480 4.110 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c(=O)[n-]1 ZINC000044694973 821646856 /nfs/dbraw/zinc/64/68/56/821646856.db2.gz QWTLULKGMQLSJV-QGZVFWFLSA-N -1 1 391.512 4.188 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)c(F)c2)cc1 ZINC000181210927 821699144 /nfs/dbraw/zinc/69/91/44/821699144.db2.gz YQQFKTQYIMUSQF-LBPRGKRZSA-N -1 1 380.441 4.318 20 0 GIADMM [O-]c1c(Br)cccc1CNc1nnc(CCCc2cccs2)o1 ZINC000181827211 822009330 /nfs/dbraw/zinc/00/93/30/822009330.db2.gz ZACIJBAREAKFGL-UHFFFAOYSA-N -1 1 394.294 4.387 20 0 GIADMM O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181923108 822037429 /nfs/dbraw/zinc/03/74/29/822037429.db2.gz MFLQIOGOQJBNIN-UHFFFAOYSA-N -1 1 385.782 4.084 20 0 GIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182259604 822173913 /nfs/dbraw/zinc/17/39/13/822173913.db2.gz KAJGRFLSSSGVCM-UHFFFAOYSA-N -1 1 386.498 4.321 20 0 GIADMM COc1ccc(N[C@@H](C)c2sc(C(C)(C)C)nc2C)cc1[N-]S(C)(=O)=O ZINC000182728065 822358351 /nfs/dbraw/zinc/35/83/51/822358351.db2.gz XZPXRXOGVQYTRF-NSHDSACASA-N -1 1 397.566 4.302 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000178266368 822360848 /nfs/dbraw/zinc/36/08/48/822360848.db2.gz CTPHDEJOKOEMNO-RTBURBONSA-N -1 1 398.528 4.058 20 0 GIADMM Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1C[C@@H]1CCCO1 ZINC000182865610 822381871 /nfs/dbraw/zinc/38/18/71/822381871.db2.gz NLWACEOLQCVPAC-WBNHJWIASA-N -1 1 399.878 4.189 20 0 GIADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000045369372 822381963 /nfs/dbraw/zinc/38/19/63/822381963.db2.gz DPGALGKFNYQWEP-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000182934867 822395705 /nfs/dbraw/zinc/39/57/05/822395705.db2.gz PUFHJQPMRBEAES-UHFFFAOYSA-N -1 1 391.265 4.310 20 0 GIADMM N#CC(=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000046441497 822473433 /nfs/dbraw/zinc/47/34/33/822473433.db2.gz TVVCTEVBPAYWCJ-CQSZACIVSA-N -1 1 392.440 4.295 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000179382287 822474409 /nfs/dbraw/zinc/47/44/09/822474409.db2.gz PRVIHEPFKCWIBV-UHFFFAOYSA-N -1 1 385.807 4.155 20 0 GIADMM COc1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c([O-])c1 ZINC000046534001 822482995 /nfs/dbraw/zinc/48/29/95/822482995.db2.gz BNRYTUGGJNOCMC-UHFFFAOYSA-N -1 1 387.329 4.070 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000046611981 822492151 /nfs/dbraw/zinc/49/21/51/822492151.db2.gz NAKLJXUJQSHMBS-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612114 822492190 /nfs/dbraw/zinc/49/21/90/822492190.db2.gz VOGXUZAKACFPOQ-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM Cc1ccsc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611983 822492221 /nfs/dbraw/zinc/49/22/21/822492221.db2.gz POZZXIQEYGYPLB-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)s1 ZINC000046611769 822492232 /nfs/dbraw/zinc/49/22/32/822492232.db2.gz XDDOXHBCKPYEMA-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM O=C(NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2cc1[O-] ZINC000046844362 822523323 /nfs/dbraw/zinc/52/33/23/822523323.db2.gz BCGUQTNEQRIWIU-UHFFFAOYSA-N -1 1 384.435 4.449 20 0 GIADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000179673147 822524211 /nfs/dbraw/zinc/52/42/11/822524211.db2.gz HNJYNUWBVVSGCC-STQMWFEESA-N -1 1 388.414 4.183 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCCc2ccccc2)c1 ZINC000047164005 822549490 /nfs/dbraw/zinc/54/94/90/822549490.db2.gz CGLJLSLTCKLYMJ-UHFFFAOYSA-N -1 1 394.544 4.397 20 0 GIADMM COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(Cl)ccc4[O-])CC3)c2c1 ZINC000047283220 822561911 /nfs/dbraw/zinc/56/19/11/822561911.db2.gz CCBNGOYJVJRCAX-UHFFFAOYSA-N -1 1 382.847 4.465 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184023451 822566179 /nfs/dbraw/zinc/56/61/79/822566179.db2.gz MBMDFYUDMZAPQN-JTQLQIEISA-N -1 1 382.204 4.063 20 0 GIADMM CCc1nc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)sc1C ZINC000047424823 822578500 /nfs/dbraw/zinc/57/85/00/822578500.db2.gz ZESRXIWBVHTQPM-UHFFFAOYSA-N -1 1 387.534 4.272 20 0 GIADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000047465962 822581709 /nfs/dbraw/zinc/58/17/09/822581709.db2.gz MAKULUYJOKZKJK-BZNIZROVSA-N -1 1 398.406 4.101 20 0 GIADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000047465963 822581925 /nfs/dbraw/zinc/58/19/25/822581925.db2.gz MAKULUYJOKZKJK-ZBEGNZNMSA-N -1 1 398.406 4.101 20 0 GIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000179956088 822585445 /nfs/dbraw/zinc/58/54/45/822585445.db2.gz HNWHAOUTKIDXNO-UHFFFAOYSA-N -1 1 382.279 4.015 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000184147256 822585743 /nfs/dbraw/zinc/58/57/43/822585743.db2.gz GOFKYGBJPMYAIL-IAGOWNOFSA-N -1 1 399.516 4.141 20 0 GIADMM C[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@H]1C ZINC000184149885 822586242 /nfs/dbraw/zinc/58/62/42/822586242.db2.gz IOEZLJOOWQQDDH-HOTGVXAUSA-N -1 1 387.505 4.140 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]1C1CCC1 ZINC000184151403 822586397 /nfs/dbraw/zinc/58/63/97/822586397.db2.gz PGDDONDDFZVPEY-FQEVSTJZSA-N -1 1 399.516 4.284 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N(C1CC1)C1CCCC1 ZINC000184151101 822586421 /nfs/dbraw/zinc/58/64/21/822586421.db2.gz KVQCSCPRNVOLRS-UHFFFAOYSA-N -1 1 399.516 4.426 20 0 GIADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1F ZINC000180145443 822626119 /nfs/dbraw/zinc/62/61/19/822626119.db2.gz VBSCBZMXSWXOBY-UHFFFAOYSA-N -1 1 379.453 4.235 20 0 GIADMM COc1cc(C)c(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1OC ZINC000180337101 822665839 /nfs/dbraw/zinc/66/58/39/822665839.db2.gz NCERLTHYQINWAH-UHFFFAOYSA-N -1 1 383.366 4.009 20 0 GIADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)cc1 ZINC000184808835 822693832 /nfs/dbraw/zinc/69/38/32/822693832.db2.gz OWPHEVRQEVDVLF-UHFFFAOYSA-N -1 1 384.910 4.211 20 0 GIADMM COc1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c([O-])c1 ZINC000184855252 822700978 /nfs/dbraw/zinc/70/09/78/822700978.db2.gz KQCGMISLZMJIJZ-UHFFFAOYSA-N -1 1 375.384 4.092 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N(C)CC(C)C)c2)c1 ZINC000455795697 822728036 /nfs/dbraw/zinc/72/80/36/822728036.db2.gz PMQASUMAVQRSAR-UHFFFAOYSA-N -1 1 389.521 4.224 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)NC2CCCCCCC2)nc1-c1ccccc1 ZINC000185051701 822729614 /nfs/dbraw/zinc/72/96/14/822729614.db2.gz WQFJXCUTUWTTMQ-UHFFFAOYSA-N -1 1 385.533 4.067 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H](C)C3CC3)c2)c1 ZINC000455806914 822729864 /nfs/dbraw/zinc/72/98/64/822729864.db2.gz XZPDXMLEKMWKLX-HNNXBMFYSA-N -1 1 387.505 4.024 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC4(CC4)C3)cc2)cc1C ZINC000185366605 822772783 /nfs/dbraw/zinc/77/27/83/822772783.db2.gz QMUWQTUVOCHAGI-UHFFFAOYSA-N -1 1 398.528 4.120 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000174397177 822784006 /nfs/dbraw/zinc/78/40/06/822784006.db2.gz OPPWWCAHUSHEKG-GOSISDBHSA-N -1 1 395.532 4.008 20 0 GIADMM CCc1ccc([C@H](COC)N[C@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000185548347 822795651 /nfs/dbraw/zinc/79/56/51/822795651.db2.gz JBLIQAPASALMST-BMIGLBTASA-N -1 1 386.261 4.488 20 0 GIADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1NC(=O)c1ccco1 ZINC000174685650 822823326 /nfs/dbraw/zinc/82/33/26/822823326.db2.gz NDYPPGQRDNQMQG-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000174720869 822828243 /nfs/dbraw/zinc/82/82/43/822828243.db2.gz LTWWMEDJOZTBJH-UHFFFAOYSA-N -1 1 393.827 4.171 20 0 GIADMM CC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nc(C(F)(F)F)cs1 ZINC000185962279 822838021 /nfs/dbraw/zinc/83/80/21/822838021.db2.gz UVXMPWPPHARILI-LBPRGKRZSA-N -1 1 384.379 4.215 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185963475 822838195 /nfs/dbraw/zinc/83/81/95/822838195.db2.gz YLXXSHAXQVSEFU-MRXNPFEDSA-N -1 1 396.668 4.022 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)cc2)c1 ZINC000053643633 822843736 /nfs/dbraw/zinc/84/37/36/822843736.db2.gz FWSNTVGQVFQCRI-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000053819935 822849495 /nfs/dbraw/zinc/84/94/95/822849495.db2.gz ZPUPNHFWNAINHR-UHFFFAOYSA-N -1 1 382.489 4.342 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174984489 822864255 /nfs/dbraw/zinc/86/42/55/822864255.db2.gz AQILWKVVMZHALE-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457332414 822867422 /nfs/dbraw/zinc/86/74/22/822867422.db2.gz SNTSCHBMJQJCCJ-CQSZACIVSA-N -1 1 381.657 4.180 20 0 GIADMM C[C@H](Nc1cnn(Cc2ccncc2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186389666 822886598 /nfs/dbraw/zinc/88/65/98/822886598.db2.gz XZVPDEZDMILUGL-NSHDSACASA-N -1 1 391.244 4.107 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)Cc2ccccc2C)cc1 ZINC000054578387 822896702 /nfs/dbraw/zinc/89/67/02/822896702.db2.gz LFLVYVKOCXTMHE-KRWDZBQOSA-N -1 1 394.544 4.362 20 0 GIADMM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000186476296 822901631 /nfs/dbraw/zinc/90/16/31/822901631.db2.gz RAGIYAYWPXPOCZ-MRVPVSSYSA-N -1 1 398.859 4.206 20 0 GIADMM CCc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)nn1-c1ccccc1Cl ZINC000175300396 822928886 /nfs/dbraw/zinc/92/88/86/822928886.db2.gz BYFOPRIVRXBWNP-UHFFFAOYSA-N -1 1 380.757 4.153 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc(Cl)c1[O-] ZINC000186655986 822930445 /nfs/dbraw/zinc/93/04/45/822930445.db2.gz DEMCFYKXJMQGJK-UHFFFAOYSA-N -1 1 375.787 4.021 20 0 GIADMM CC(C)c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)nn1-c1cccc(F)c1 ZINC000175313777 822932243 /nfs/dbraw/zinc/93/22/43/822932243.db2.gz OPSNZZYYLSDAMX-UHFFFAOYSA-N -1 1 378.329 4.199 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(Cl)c1[O-] ZINC000186665657 822932810 /nfs/dbraw/zinc/93/28/10/822932810.db2.gz OYKGUDMGIGEXAG-UHFFFAOYSA-N -1 1 375.787 4.021 20 0 GIADMM Cc1c(F)cccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175342129 822940009 /nfs/dbraw/zinc/94/00/09/822940009.db2.gz SBYFKOWNURRORC-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCOc1cc(C(=O)N2CCC(COc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186784236 822954935 /nfs/dbraw/zinc/95/49/35/822954935.db2.gz OXMYSEZYQWEKAY-UHFFFAOYSA-N -1 1 389.879 4.376 20 0 GIADMM CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000569752225 822963606 /nfs/dbraw/zinc/96/36/06/822963606.db2.gz NPRKTYIJMXAAMD-OAHLLOKOSA-N -1 1 388.475 4.404 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H](OC)c2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000186839615 822965101 /nfs/dbraw/zinc/96/51/01/822965101.db2.gz XWAMNMQKJMCZLP-MRXNPFEDSA-N -1 1 384.259 4.215 20 0 GIADMM CC(C)c1ccc(-c2ncc(CN3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)s2)cc1 ZINC000569763505 822965172 /nfs/dbraw/zinc/96/51/72/822965172.db2.gz DHGLIDODOSWEPD-INIZCTEOSA-N -1 1 383.521 4.137 20 0 GIADMM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC(C)(C)C1 ZINC000458180008 822965887 /nfs/dbraw/zinc/96/58/87/822965887.db2.gz GOPSJXFTLLQWSO-UHFFFAOYSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C2CC(C)(C)C2)cc1 ZINC000458206017 822968735 /nfs/dbraw/zinc/96/87/35/822968735.db2.gz LTUNYOWZZKQTOG-UHFFFAOYSA-N -1 1 386.517 4.056 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc(Cl)c1[O-] ZINC000186864984 822970656 /nfs/dbraw/zinc/97/06/56/822970656.db2.gz VUHAMYBZSQFLCH-ZDUSSCGKSA-N -1 1 385.851 4.121 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CC4CC4)C3)c2)c1 ZINC000569843009 822975139 /nfs/dbraw/zinc/97/51/39/822975139.db2.gz RSUUTMPNCQKOKC-SFHVURJKSA-N -1 1 398.528 4.058 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2F)cc1 ZINC000055529406 822975160 /nfs/dbraw/zinc/97/51/60/822975160.db2.gz ZNUVMVMZUONJER-UHFFFAOYSA-N -1 1 386.452 4.174 20 0 GIADMM CCOc1cc(C(=O)NCc2cccc(-c3ccccn3)c2)cc(Cl)c1[O-] ZINC000186909600 822978407 /nfs/dbraw/zinc/97/84/07/822978407.db2.gz XGIGWASIGRGCTI-UHFFFAOYSA-N -1 1 382.847 4.436 20 0 GIADMM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(CCCl)cc2)n1 ZINC000055584970 822982302 /nfs/dbraw/zinc/98/23/02/822982302.db2.gz YJVWJLYFZPOOSS-UHFFFAOYSA-N -1 1 389.908 4.071 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1Cl ZINC000055585983 822982541 /nfs/dbraw/zinc/98/25/41/822982541.db2.gz ZYYDUPPVIUEAKP-UHFFFAOYSA-N -1 1 375.837 4.032 20 0 GIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000055600379 822985983 /nfs/dbraw/zinc/98/59/83/822985983.db2.gz HUQRLNNZIQIXSA-UHFFFAOYSA-N -1 1 388.367 4.075 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C(F)(F)F)c1 ZINC000055621372 822989075 /nfs/dbraw/zinc/98/90/75/822989075.db2.gz DRABWEKCONCEOZ-UHFFFAOYSA-N -1 1 389.395 4.140 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000055631985 822989763 /nfs/dbraw/zinc/98/97/63/822989763.db2.gz ROUQSKRRHYACRE-UHFFFAOYSA-N -1 1 382.441 4.333 20 0 GIADMM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(F)c(Cl)c1 ZINC000055632300 822990007 /nfs/dbraw/zinc/99/00/07/822990007.db2.gz KNDUMPWMMZUZAV-UHFFFAOYSA-N -1 1 392.839 4.254 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055633294 822990228 /nfs/dbraw/zinc/99/02/28/822990228.db2.gz PYSGZSSJDMFHKR-UHFFFAOYSA-N -1 1 385.485 4.194 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055639484 822990662 /nfs/dbraw/zinc/99/06/62/822990662.db2.gz GWFYLJNICITOEI-UHFFFAOYSA-N -1 1 392.908 4.156 20 0 GIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000055648357 822992516 /nfs/dbraw/zinc/99/25/16/822992516.db2.gz PQJKEGLGIFRFQL-AWEZNQCLSA-N -1 1 392.908 4.155 20 0 GIADMM Cc1c2ccccc2nc(CN2CCC(C(=O)c3ccccc3)CC2)c1C(=O)[O-] ZINC000569981747 822993050 /nfs/dbraw/zinc/99/30/50/822993050.db2.gz QERDSQHMPVEDEA-UHFFFAOYSA-N -1 1 388.467 4.336 20 0 GIADMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000055651455 822993575 /nfs/dbraw/zinc/99/35/75/822993575.db2.gz DDDHLZDRGUWHLZ-AWEZNQCLSA-N -1 1 392.908 4.155 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000570210638 823015583 /nfs/dbraw/zinc/01/55/83/823015583.db2.gz DSSZAYVVKRISJX-UHFFFAOYSA-N -1 1 381.881 4.076 20 0 GIADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000570211627 823015808 /nfs/dbraw/zinc/01/58/08/823015808.db2.gz IXTUIRIJLXGRCV-AAEUAGOBSA-N -1 1 395.322 4.258 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC000175769616 823035832 /nfs/dbraw/zinc/03/58/32/823035832.db2.gz FNWQUELDCNVHSK-OAHLLOKOSA-N -1 1 394.500 4.039 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@H](C)Oc3ccc(C)cc32)c1 ZINC000175769600 823035907 /nfs/dbraw/zinc/03/59/07/823035907.db2.gz FNWQUELDCNVHSK-HNNXBMFYSA-N -1 1 394.500 4.039 20 0 GIADMM CCSCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055752636 823037137 /nfs/dbraw/zinc/03/71/37/823037137.db2.gz AEQOKJIPLWNXRV-UHFFFAOYSA-N -1 1 383.513 4.380 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccsc1 ZINC000060781124 823557062 /nfs/dbraw/zinc/55/70/62/823557062.db2.gz INUZBIDNVXDIPP-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM COc1ccc(C(=O)[N-]C(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000060825189 823560238 /nfs/dbraw/zinc/56/02/38/823560238.db2.gz KWCXNJZQCACXEN-UHFFFAOYSA-N -1 1 384.284 4.192 20 0 GIADMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)c2C)o1 ZINC000461108185 823579011 /nfs/dbraw/zinc/57/90/11/823579011.db2.gz PTJSFXGYXYRVKM-UHFFFAOYSA-N -1 1 391.396 4.168 20 0 GIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2F)c(Br)c1 ZINC000461149548 823587941 /nfs/dbraw/zinc/58/79/41/823587941.db2.gz RJDHIBGCXOKBHZ-UHFFFAOYSA-N -1 1 376.222 4.145 20 0 GIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)CCOc1ccccc1 ZINC000061478977 823599546 /nfs/dbraw/zinc/59/95/46/823599546.db2.gz MVNWYBYZJKJNKH-UHFFFAOYSA-N -1 1 388.423 4.125 20 0 GIADMM COc1cc(OC)cc(-c2cccc([N-]S(=O)(=O)Cc3ccccc3C)n2)c1 ZINC000461211648 823599598 /nfs/dbraw/zinc/59/95/98/823599598.db2.gz VOKRYQCXWCXRRD-UHFFFAOYSA-N -1 1 398.484 4.016 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1F ZINC000190794404 823609813 /nfs/dbraw/zinc/60/98/13/823609813.db2.gz PTGRSXNWGYBBOP-UHFFFAOYSA-N -1 1 377.359 4.130 20 0 GIADMM CC[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC)cc1 ZINC000124601808 823610315 /nfs/dbraw/zinc/61/03/15/823610315.db2.gz CHZUGYLATXBBLD-KRWDZBQOSA-N -1 1 395.499 4.406 20 0 GIADMM O=C(Nc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1)c1ccncc1 ZINC000190842530 823615259 /nfs/dbraw/zinc/61/52/59/823615259.db2.gz GSCOKFXLPVSOEM-UHFFFAOYSA-N -1 1 385.826 4.122 20 0 GIADMM C[C@@H]1CN(c2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000190946410 823628731 /nfs/dbraw/zinc/62/87/31/823628731.db2.gz QFLVCUDJGPDEHY-CHWSQXEVSA-N -1 1 375.856 4.303 20 0 GIADMM Cc1cccc(C(C)(C)CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000063335899 823663998 /nfs/dbraw/zinc/66/39/98/823663998.db2.gz UABMRECLOHGTHO-UHFFFAOYSA-N -1 1 394.515 4.283 20 0 GIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000063442211 823671770 /nfs/dbraw/zinc/67/17/70/823671770.db2.gz JBIHJNGWRAMNPP-UHFFFAOYSA-N -1 1 390.288 4.210 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063878317 823704590 /nfs/dbraw/zinc/70/45/90/823704590.db2.gz QGGFQSZCWIESGW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000574360871 823708410 /nfs/dbraw/zinc/70/84/10/823708410.db2.gz ZIPTUIUVIQISPF-UHFFFAOYSA-N -1 1 377.441 4.281 20 0 GIADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000163473502 823713277 /nfs/dbraw/zinc/71/32/77/823713277.db2.gz HPSNIWBWXSGQPE-NVXWUHKLSA-N -1 1 398.503 4.311 20 0 GIADMM Cc1ccc(NC(=O)C(C)(C)CC(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000413158042 823718076 /nfs/dbraw/zinc/71/80/76/823718076.db2.gz VAGPZMXQDOHQKR-UHFFFAOYSA-N -1 1 396.459 4.416 20 0 GIADMM CC(C)(CC(F)F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000413160151 823718606 /nfs/dbraw/zinc/71/86/06/823718606.db2.gz XYMLGFZJKUZQCG-UHFFFAOYSA-N -1 1 382.432 4.107 20 0 GIADMM CCC(C)(C)c1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000163636110 823730357 /nfs/dbraw/zinc/73/03/57/823730357.db2.gz VERTYUMTVMFOJS-UHFFFAOYSA-N -1 1 390.505 4.007 20 0 GIADMM CCS[C@@H](C)c1noc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000163898526 823758566 /nfs/dbraw/zinc/75/85/66/823758566.db2.gz DERLSFJMQXPOTG-LBPRGKRZSA-N -1 1 388.518 4.235 20 0 GIADMM COc1cc(CN(C)C(=O)c2ccc(Br)c([O-])c2)ccc1SC ZINC000126123652 823793610 /nfs/dbraw/zinc/79/36/10/823793610.db2.gz YFFUYNWOGNKYOB-UHFFFAOYSA-N -1 1 396.306 4.157 20 0 GIADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Br)c(F)cc1F ZINC000192110787 823863631 /nfs/dbraw/zinc/86/36/31/823863631.db2.gz LNQOTQVTZUSPIA-UHFFFAOYSA-N -1 1 393.090 4.166 20 0 GIADMM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192217102 823906272 /nfs/dbraw/zinc/90/62/72/823906272.db2.gz RZHKGQFSCVDILU-UHFFFAOYSA-N -1 1 396.896 4.403 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(Br)cc1 ZINC000064938374 823916209 /nfs/dbraw/zinc/91/62/09/823916209.db2.gz MMFDIRJUOVGBTB-UHFFFAOYSA-N -1 1 396.306 4.177 20 0 GIADMM COc1ccc(-c2nnc(NC(=O)Nc3ccc([O-])c(Cl)c3)s2)cc1 ZINC000192271550 823926196 /nfs/dbraw/zinc/92/61/96/823926196.db2.gz MJKWZDDNBPDPMT-UHFFFAOYSA-N -1 1 376.825 4.217 20 0 GIADMM C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000414222605 823932513 /nfs/dbraw/zinc/93/25/13/823932513.db2.gz NCYMMRYBZZKMDL-GFCCVEGCSA-N -1 1 387.892 4.149 20 0 GIADMM C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000414222605 823932518 /nfs/dbraw/zinc/93/25/18/823932518.db2.gz NCYMMRYBZZKMDL-GFCCVEGCSA-N -1 1 387.892 4.149 20 0 GIADMM O=S(=O)([N-]c1cc(F)c(F)cc1N1CCCCC1)c1ccc(F)c(F)c1 ZINC000575240206 823949708 /nfs/dbraw/zinc/94/97/08/823949708.db2.gz NWPISXXAXBRXTA-UHFFFAOYSA-N -1 1 388.386 4.034 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccc(F)cc3)cc2)cc1 ZINC000065160436 823953847 /nfs/dbraw/zinc/95/38/47/823953847.db2.gz SCFQAEHHLCUWAY-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM C[C@@H](CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(F)c(F)c1 ZINC000462393718 823958026 /nfs/dbraw/zinc/95/80/26/823958026.db2.gz JGAWGCKOGMSSJV-ZETCQYMHSA-N -1 1 378.322 4.090 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1 ZINC000414383449 823970171 /nfs/dbraw/zinc/97/01/71/823970171.db2.gz RLGPUAVLDIDHFP-MRXNPFEDSA-N -1 1 398.528 4.311 20 0 GIADMM Cc1nc(NC(=O)C[C@@H]2CCCc3ccccc32)sc1-c1n[n-]c(=S)n1C ZINC000170978368 824026390 /nfs/dbraw/zinc/02/63/90/824026390.db2.gz AGEDDIXQDRHYHD-ZDUSSCGKSA-N -1 1 399.545 4.358 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000007109362 204234016 /nfs/dbraw/zinc/23/40/16/204234016.db2.gz PODGNICTMIPGEF-UHFFFAOYSA-N -1 1 376.261 4.202 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000008289254 206224557 /nfs/dbraw/zinc/22/45/57/206224557.db2.gz SXLJNEDCEPTYRX-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)c1 ZINC000008287898 206224923 /nfs/dbraw/zinc/22/49/23/206224923.db2.gz LELMMTFPURPRKM-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000187351544 823047747 /nfs/dbraw/zinc/04/77/47/823047747.db2.gz GBINJBWEWUBWOL-UHFFFAOYSA-N -1 1 395.484 4.006 20 0 GIADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000187438945 823063876 /nfs/dbraw/zinc/06/38/76/823063876.db2.gz SKKOQNVMBRSWTC-XIKOKIGWSA-N -1 1 388.414 4.183 20 0 GIADMM CS[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000056069986 823081957 /nfs/dbraw/zinc/08/19/57/823081957.db2.gz SLHXOGCMKQMPMH-LBPRGKRZSA-N -1 1 398.937 4.139 20 0 GIADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nc(-c2ccccc2)n[n-]1 ZINC000570896330 823104357 /nfs/dbraw/zinc/10/43/57/823104357.db2.gz WEDQAJJEAJEPCU-UHFFFAOYSA-N -1 1 391.452 4.238 20 0 GIADMM O=S(=O)(Cc1ccccc1Oc1ccccc1)c1n[n-]c(-c2ccccc2)n1 ZINC000570896330 823104362 /nfs/dbraw/zinc/10/43/62/823104362.db2.gz WEDQAJJEAJEPCU-UHFFFAOYSA-N -1 1 391.452 4.238 20 0 GIADMM Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)o1 ZINC000121186718 823134679 /nfs/dbraw/zinc/13/46/79/823134679.db2.gz XGVKGOPNUJZGBE-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176219327 823155239 /nfs/dbraw/zinc/15/52/39/823155239.db2.gz ULYFJFDUCZEFGO-QWHCGFSZSA-N -1 1 396.607 4.240 20 0 GIADMM CCSCC[C@@H](C)N(C)C(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000176264597 823167203 /nfs/dbraw/zinc/16/72/03/823167203.db2.gz ZIISTLISJGSTRJ-GFCCVEGCSA-N -1 1 384.596 4.049 20 0 GIADMM CCc1nc(S[C@H](C(=O)OC)c2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000571417957 823180108 /nfs/dbraw/zinc/18/01/08/823180108.db2.gz HNDLKFOPLKFXFC-ZDUSSCGKSA-N -1 1 386.395 4.078 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@@H]4C[C@H]4C)no3)cc2)cc1 ZINC000571489854 823190799 /nfs/dbraw/zinc/19/07/99/823190799.db2.gz OZALDQSGVYLZDA-FZKQIMNGSA-N -1 1 399.472 4.060 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc([C@H]4C[C@@H]4C)no3)cc2)cc1 ZINC000571489857 823190909 /nfs/dbraw/zinc/19/09/09/823190909.db2.gz OZALDQSGVYLZDA-UGSOOPFHSA-N -1 1 399.472 4.060 20 0 GIADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccccc1-c1ccccc1 ZINC000188130723 823191195 /nfs/dbraw/zinc/19/11/95/823191195.db2.gz HKSDHTXZYYRTCX-UHFFFAOYSA-N -1 1 377.469 4.457 20 0 GIADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000188144161 823193392 /nfs/dbraw/zinc/19/33/92/823193392.db2.gz UCJNMFNBFLREHB-SECBINFHSA-N -1 1 383.395 4.198 20 0 GIADMM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2C)cc1Cl ZINC000176397297 823199139 /nfs/dbraw/zinc/19/91/39/823199139.db2.gz VAGJQJHOZUEIFI-UHFFFAOYSA-N -1 1 390.686 4.220 20 0 GIADMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000121555808 823205046 /nfs/dbraw/zinc/20/50/46/823205046.db2.gz LJAJLHFVGXEUQQ-SUMWQHHRSA-N -1 1 390.277 4.052 20 0 GIADMM CCOC1CC(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000188303980 823216778 /nfs/dbraw/zinc/21/67/78/823216778.db2.gz RRSHYJHYRSUJFL-UHFFFAOYSA-N -1 1 386.728 4.130 20 0 GIADMM CCCc1occc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000409459507 823224321 /nfs/dbraw/zinc/22/43/21/823224321.db2.gz RQTWKXXMXMXFBU-UHFFFAOYSA-N -1 1 384.457 4.285 20 0 GIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176521709 823228301 /nfs/dbraw/zinc/22/83/01/823228301.db2.gz NACYGLSVDMBXBA-DZGCQCFKSA-N -1 1 384.530 4.074 20 0 GIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176528676 823229937 /nfs/dbraw/zinc/22/99/37/823229937.db2.gz HWSUHBWBYQFKFM-HOCLYGCPSA-N -1 1 398.557 4.464 20 0 GIADMM COc1ccc(N[C@H](C)c2cc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000188395536 823233159 /nfs/dbraw/zinc/23/31/59/823233159.db2.gz GTNLOHFJZVIMIO-GFCCVEGCSA-N -1 1 376.503 4.455 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000057126377 823251609 /nfs/dbraw/zinc/25/16/09/823251609.db2.gz QETKLAAKKCBACW-UHFFFAOYSA-N -1 1 382.441 4.186 20 0 GIADMM Cc1cccc2c(Cc3noc(-c4[n-]cnc4C(=O)c4ccccc4)n3)c[nH]c21 ZINC000571923037 823254568 /nfs/dbraw/zinc/25/45/68/823254568.db2.gz WDYGGVQJVXSCRT-UHFFFAOYSA-N -1 1 383.411 4.071 20 0 GIADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000188562872 823262391 /nfs/dbraw/zinc/26/23/91/823262391.db2.gz PRYSFGPNIVLMIZ-UHFFFAOYSA-N -1 1 388.395 4.318 20 0 GIADMM O=C([O-])[C@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1Br ZINC000571975820 823264278 /nfs/dbraw/zinc/26/42/78/823264278.db2.gz JPUDOQIZCKPBIM-GOSISDBHSA-N -1 1 390.277 4.153 20 0 GIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1)C(C)C ZINC000176676144 823264731 /nfs/dbraw/zinc/26/47/31/823264731.db2.gz MWBDRRQIMCTNKM-UHFFFAOYSA-N -1 1 396.512 4.398 20 0 GIADMM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ncoc1C1CC1 ZINC000572019250 823270121 /nfs/dbraw/zinc/27/01/21/823270121.db2.gz RNPQHYPWSJGJNY-UHFFFAOYSA-N -1 1 376.438 4.087 20 0 GIADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000006353511 817681583 /nfs/dbraw/zinc/68/15/83/817681583.db2.gz FKQSJZQWYQETSO-UHFFFAOYSA-N -1 1 388.803 4.053 20 0 GIADMM CCc1ccc(-c2noc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)n2)cc1 ZINC000121952615 823284040 /nfs/dbraw/zinc/28/40/40/823284040.db2.gz UKXNRVQQKMMMRK-UHFFFAOYSA-N -1 1 391.471 4.100 20 0 GIADMM C=C(C)CNC(=S)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007523275 817861629 /nfs/dbraw/zinc/86/16/29/817861629.db2.gz DNMTZEWHLJLAGL-UHFFFAOYSA-N -1 1 395.937 4.003 20 0 GIADMM Cc1cccc(OCCCCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000057429854 823295191 /nfs/dbraw/zinc/29/51/91/823295191.db2.gz BUJNRYWYMBEUFU-UHFFFAOYSA-N -1 1 395.499 4.371 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)cc1 ZINC000122091557 823305006 /nfs/dbraw/zinc/30/50/06/823305006.db2.gz MSORFKMAXZPJES-GFCCVEGCSA-N -1 1 380.897 4.014 20 0 GIADMM CCOc1ccc([C@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000010978694 818038363 /nfs/dbraw/zinc/03/83/63/818038363.db2.gz FOQKHLYMMKYJPX-HNNXBMFYSA-N -1 1 396.516 4.192 20 0 GIADMM Cc1cc(N2CCCC2)ccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000011574063 818096606 /nfs/dbraw/zinc/09/66/06/818096606.db2.gz UNDROTSAEILEOD-UHFFFAOYSA-N -1 1 399.545 4.217 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H](C)C1CCCCC1)CC2 ZINC000572296159 823315320 /nfs/dbraw/zinc/31/53/20/823315320.db2.gz PXEYPFCKGCEDRS-KXBFYZLASA-N -1 1 375.509 4.294 20 0 GIADMM COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc(Cl)c1[O-] ZINC000460204644 823316301 /nfs/dbraw/zinc/31/63/01/823316301.db2.gz HTPNPNVYEXESHM-CQSZACIVSA-N -1 1 377.721 4.227 20 0 GIADMM CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1Cl ZINC000013181258 818205674 /nfs/dbraw/zinc/20/56/74/818205674.db2.gz YYGZZBXBBLCEQI-SFHVURJKSA-N -1 1 391.855 4.441 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000572330832 823322349 /nfs/dbraw/zinc/32/23/49/823322349.db2.gz NVHAASGENSNQHE-UHFFFAOYSA-N -1 1 390.686 4.050 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCCC1 ZINC000015344308 818314946 /nfs/dbraw/zinc/31/49/46/818314946.db2.gz RICICYZVPFBDAW-UHFFFAOYSA-N -1 1 399.299 4.030 20 0 GIADMM C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000015419674 818324119 /nfs/dbraw/zinc/32/41/19/818324119.db2.gz QDGBFSBEEOQCGX-CQSZACIVSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2)cc1C ZINC000015422203 818324476 /nfs/dbraw/zinc/32/44/76/818324476.db2.gz NXGLLCHBUORAEM-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC(C)C)c2)c1 ZINC000015499810 818330708 /nfs/dbraw/zinc/33/07/08/818330708.db2.gz UIDWUZIUELWOAL-UHFFFAOYSA-N -1 1 394.924 4.225 20 0 GIADMM CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(C)C)c1 ZINC000572412130 823335072 /nfs/dbraw/zinc/33/50/72/823335072.db2.gz SWHLAYYWIHSKHN-HNNXBMFYSA-N -1 1 395.431 4.078 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)C)c2)cc1C ZINC000017128006 818501300 /nfs/dbraw/zinc/50/13/00/818501300.db2.gz YMXDTSIVJKHYEU-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000017156188 818501836 /nfs/dbraw/zinc/50/18/36/818501836.db2.gz VZDYVULCQNOYJK-KRWDZBQOSA-N -1 1 394.544 4.444 20 0 GIADMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1)C(C)C ZINC000189013201 823342506 /nfs/dbraw/zinc/34/25/06/823342506.db2.gz PTKWOUOTMUFCSQ-UHFFFAOYSA-N -1 1 388.533 4.368 20 0 GIADMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000018084055 818544634 /nfs/dbraw/zinc/54/46/34/818544634.db2.gz WLQXMJVGYMOEAG-UHFFFAOYSA-N -1 1 394.496 4.068 20 0 GIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000018216759 818557389 /nfs/dbraw/zinc/55/73/89/818557389.db2.gz KXKHFZHPCQREJG-UHFFFAOYSA-N -1 1 380.564 4.010 20 0 GIADMM Cc1occc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000020895669 818637188 /nfs/dbraw/zinc/63/71/88/818637188.db2.gz SSBMJPKAYZPXCH-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM O=C(C=C(C1CC1)C1CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058144369 823364814 /nfs/dbraw/zinc/36/48/14/823364814.db2.gz JAQJEMQKWJWKTG-UHFFFAOYSA-N -1 1 382.485 4.172 20 0 GIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)ccc2o1 ZINC000022903004 818874004 /nfs/dbraw/zinc/87/40/04/818874004.db2.gz NYGPPBLATQVUOJ-UHFFFAOYSA-N -1 1 391.448 4.185 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000024346197 819048784 /nfs/dbraw/zinc/04/87/84/819048784.db2.gz INEFOVACDZSYSB-UHFFFAOYSA-N -1 1 396.516 4.035 20 0 GIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460423465 823384475 /nfs/dbraw/zinc/38/44/75/823384475.db2.gz XNQVKSKDWWJTMC-UHFFFAOYSA-N -1 1 389.521 4.315 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1Cl ZINC000177181383 823393194 /nfs/dbraw/zinc/39/31/94/823393194.db2.gz DWSAJMKGZGQPBA-UHFFFAOYSA-N -1 1 384.848 4.079 20 0 GIADMM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc21 ZINC000189306236 823391307 /nfs/dbraw/zinc/39/13/07/823391307.db2.gz ANJZRHLLRRJICZ-UHFFFAOYSA-N -1 1 383.391 4.111 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 ZINC000177189676 823395363 /nfs/dbraw/zinc/39/53/63/823395363.db2.gz VEZCJFWYGKFIMW-JKSUJKDBSA-N -1 1 380.517 4.225 20 0 GIADMM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000122838094 823420996 /nfs/dbraw/zinc/42/09/96/823420996.db2.gz FPBMDTRLKZUJHG-IBGZPJMESA-N -1 1 375.472 4.198 20 0 GIADMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000024956692 819899925 /nfs/dbraw/zinc/89/99/25/819899925.db2.gz PGCWBRPIGWGZTQ-UHFFFAOYSA-N -1 1 398.406 4.023 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(CSc2ccccc2)cc1 ZINC000026254607 820075656 /nfs/dbraw/zinc/07/56/56/820075656.db2.gz BSZSLJOKIBVBTF-UHFFFAOYSA-N -1 1 378.379 4.368 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C(C)(C)c1ccccc1C ZINC000058782182 823450921 /nfs/dbraw/zinc/45/09/21/823450921.db2.gz CVHWWAQWRWNCIW-UHFFFAOYSA-N -1 1 393.512 4.166 20 0 GIADMM Cc1cc(Br)c([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC000123046519 823452873 /nfs/dbraw/zinc/45/28/73/823452873.db2.gz FXHLBOZEOICIPX-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1OC ZINC000026527458 820108496 /nfs/dbraw/zinc/10/84/96/820108496.db2.gz LZBCSXWDSQGDOP-UHFFFAOYSA-N -1 1 376.261 4.120 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1OC ZINC000026529432 820109107 /nfs/dbraw/zinc/10/91/07/820109107.db2.gz SAGLFAZUGRGYCO-UHFFFAOYSA-N -1 1 383.469 4.480 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2c(s1)CCCCC2 ZINC000027394496 820238840 /nfs/dbraw/zinc/23/88/40/820238840.db2.gz MHBGIFZWYALMQF-UHFFFAOYSA-N -1 1 399.541 4.051 20 0 GIADMM Cc1ccc(-n2c(Cl)c(C=C3SC(=S)[N-]C3=O)nc2N(C)C)cc1 ZINC000027542548 820257706 /nfs/dbraw/zinc/25/77/06/820257706.db2.gz SMWHOBFSWVMUTA-WQLSENKSSA-N -1 1 378.910 4.229 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000027637395 820269470 /nfs/dbraw/zinc/26/94/70/820269470.db2.gz VVAWGTFVEMJAKF-UHFFFAOYSA-N -1 1 382.489 4.378 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccn3)ccc2C)c1 ZINC000027648890 820270888 /nfs/dbraw/zinc/27/08/88/820270888.db2.gz JSNYLADVMVKKAF-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc4ncccc34)c2)n1 ZINC000410337133 823467027 /nfs/dbraw/zinc/46/70/27/823467027.db2.gz HSDGLRNRKYNVAN-UHFFFAOYSA-N -1 1 381.482 4.468 20 0 GIADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 ZINC000573226845 823468202 /nfs/dbraw/zinc/46/82/02/823468202.db2.gz YRSJADGTEKDFMM-UHFFFAOYSA-N -1 1 376.906 4.384 20 0 GIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000028251425 820320830 /nfs/dbraw/zinc/32/08/30/820320830.db2.gz XYWPFROHOOQAFS-UHFFFAOYSA-N -1 1 386.517 4.425 20 0 GIADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1Cl ZINC000028258913 820321080 /nfs/dbraw/zinc/32/10/80/820321080.db2.gz HKROFDIRBCEEJE-UHFFFAOYSA-N -1 1 392.908 4.287 20 0 GIADMM CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000028275849 820322263 /nfs/dbraw/zinc/32/22/63/820322263.db2.gz XYOMTXKVCXUXCD-LBPRGKRZSA-N -1 1 380.897 4.434 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1Cl ZINC000028328975 820324872 /nfs/dbraw/zinc/32/48/72/820324872.db2.gz JKVQHVPODSQHDM-UHFFFAOYSA-N -1 1 394.283 4.028 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000028490880 820340025 /nfs/dbraw/zinc/34/00/25/820340025.db2.gz XTCBLNFESJMXGT-SFHVURJKSA-N -1 1 390.480 4.031 20 0 GIADMM CN(Cc1ccccc1Br)C(=O)c1cc(Br)ccc1[O-] ZINC000028813000 820359882 /nfs/dbraw/zinc/35/98/82/820359882.db2.gz LTVMSOHGOCGJSW-UHFFFAOYSA-N -1 1 399.082 4.189 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000028810170 820359902 /nfs/dbraw/zinc/35/99/02/820359902.db2.gz QIXGJJJYVDELPS-GFCCVEGCSA-N -1 1 376.503 4.045 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)o1 ZINC000029433186 820454574 /nfs/dbraw/zinc/45/45/74/820454574.db2.gz SGTLMGRTGQMJAL-UHFFFAOYSA-N -1 1 382.363 4.470 20 0 GIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410400729 823487030 /nfs/dbraw/zinc/48/70/30/823487030.db2.gz UASYMJFVTVIUJM-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCCC3)ccc2C)cc1 ZINC000029923712 820549232 /nfs/dbraw/zinc/54/92/32/820549232.db2.gz LKHUQDXXPIQFEW-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000029997801 820564601 /nfs/dbraw/zinc/56/46/01/820564601.db2.gz CZTJDDGTWZFWIF-GOEBONIOSA-N -1 1 388.537 4.043 20 0 GIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000410405951 823489068 /nfs/dbraw/zinc/48/90/68/823489068.db2.gz ZVLCOSUOPDQDDG-UHFFFAOYSA-N -1 1 395.484 4.417 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000030016601 820570240 /nfs/dbraw/zinc/57/02/40/820570240.db2.gz OKOOVJJDTYCKQI-MAUKXSAKSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000410414743 823490661 /nfs/dbraw/zinc/49/06/61/823490661.db2.gz SVDRJWYNDVVQFU-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030380993 820608713 /nfs/dbraw/zinc/60/87/13/820608713.db2.gz CCHBLELTODJENC-UZLBHIALSA-N -1 1 386.517 4.138 20 0 GIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030380977 820608872 /nfs/dbraw/zinc/60/88/72/820608872.db2.gz WVANOOHGTSNSPI-UZLBHIALSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)cc1 ZINC000030424555 820616206 /nfs/dbraw/zinc/61/62/06/820616206.db2.gz JKEXYYFMURXRAP-MRXNPFEDSA-N -1 1 388.533 4.302 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cnn(-c2ccccc2)c1 ZINC000410419301 823491666 /nfs/dbraw/zinc/49/16/66/823491666.db2.gz MJPSMSPDIKEMFB-UHFFFAOYSA-N -1 1 386.235 4.119 20 0 GIADMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000031212526 820770901 /nfs/dbraw/zinc/77/09/01/820770901.db2.gz OJRLJBSNUVLUDO-CYBMUJFWSA-N -1 1 379.287 4.218 20 0 GIADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000031716351 820850454 /nfs/dbraw/zinc/85/04/54/820850454.db2.gz RMCAUDSZRMFROT-CQSZACIVSA-N -1 1 394.924 4.257 20 0 GIADMM FC(F)(F)CCN(Cc1ccccc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000189889813 823510388 /nfs/dbraw/zinc/51/03/88/823510388.db2.gz LYCBOEQZGBFMMM-UHFFFAOYSA-N -1 1 393.438 4.415 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCC2CCCCC2)cc1 ZINC000031922925 820875713 /nfs/dbraw/zinc/87/57/13/820875713.db2.gz VREKCIVMPSJPCS-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1cccc(OC(F)(F)F)c1 ZINC000032097117 820896985 /nfs/dbraw/zinc/89/69/85/820896985.db2.gz NPBONVODDSUOTC-UHFFFAOYSA-N -1 1 398.362 4.405 20 0 GIADMM Cc1ccc(NC(=O)CC2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000032146546 820899244 /nfs/dbraw/zinc/89/92/44/820899244.db2.gz ZFKIHKBJBMNORM-UHFFFAOYSA-N -1 1 378.881 4.188 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1F ZINC000032588803 820972966 /nfs/dbraw/zinc/97/29/66/820972966.db2.gz FDZLJLSGMNRJST-UHFFFAOYSA-N -1 1 385.507 4.114 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1C ZINC000032590257 820973885 /nfs/dbraw/zinc/97/38/85/820973885.db2.gz IHSVRWAJIAFJSO-UHFFFAOYSA-N -1 1 375.368 4.093 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1F ZINC000032595214 820975087 /nfs/dbraw/zinc/97/50/87/820975087.db2.gz BPZZTPBDIWLURX-UHFFFAOYSA-N -1 1 378.425 4.074 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)c1 ZINC000032631339 820980874 /nfs/dbraw/zinc/98/08/74/820980874.db2.gz KTPDMDHSMYHAHQ-QFIPXVFZSA-N -1 1 390.464 4.345 20 0 GIADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000032746725 821002318 /nfs/dbraw/zinc/00/23/18/821002318.db2.gz MJCIKMOGGUBRQW-JQWIXIFHSA-N -1 1 393.270 4.337 20 0 GIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1Cl ZINC000460821956 823522191 /nfs/dbraw/zinc/52/21/91/823522191.db2.gz XPRUBYFNLNVXTR-UHFFFAOYSA-N -1 1 394.924 4.140 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3CCCC3)cc2)c1C ZINC000033054109 821028474 /nfs/dbraw/zinc/02/84/74/821028474.db2.gz OMIQWMLURFFATP-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000038698773 821099254 /nfs/dbraw/zinc/09/92/54/821099254.db2.gz WVKSPPGTHOIXKF-UHFFFAOYSA-N -1 1 398.406 4.023 20 0 GIADMM O=c1nc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)[n-]c2ccsc21 ZINC000042568644 821311781 /nfs/dbraw/zinc/31/17/81/821311781.db2.gz YLYIJBMDOSDUHO-UHFFFAOYSA-N -1 1 382.392 4.172 20 0 GIADMM CCc1nnc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2)o1 ZINC000180630694 821374943 /nfs/dbraw/zinc/37/49/43/821374943.db2.gz GNVFXJOOKKCFCK-UHFFFAOYSA-N -1 1 377.322 4.276 20 0 GIADMM O=C(Nc1ccccc1)c1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000180782233 821454587 /nfs/dbraw/zinc/45/45/87/821454587.db2.gz RUEAPHJBBIETIO-UHFFFAOYSA-N -1 1 396.434 4.241 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1 ZINC000180790204 821460176 /nfs/dbraw/zinc/46/01/76/821460176.db2.gz OGYKVXWNKSNPDE-UHFFFAOYSA-N -1 1 386.517 4.052 20 0 GIADMM CCOc1ccc(-c2nc(CSCCC[N-]C(=O)C(F)(F)F)co2)cc1 ZINC000180793263 821461617 /nfs/dbraw/zinc/46/16/17/821461617.db2.gz XSYGQLNGAPZAAX-UHFFFAOYSA-N -1 1 388.411 4.042 20 0 GIADMM Cc1cc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CCO2)ccc1F ZINC000180806400 821468638 /nfs/dbraw/zinc/46/86/38/821468638.db2.gz BLNXBBGRARCYOU-KRWDZBQOSA-N -1 1 383.341 4.072 20 0 GIADMM CC[C@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000044020501 821504822 /nfs/dbraw/zinc/50/48/22/821504822.db2.gz PSSAFKYLFVKOKD-KRWDZBQOSA-N -1 1 395.499 4.406 20 0 GIADMM NC(=O)CN(Cc1ccccc1)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000181046296 821609928 /nfs/dbraw/zinc/60/99/28/821609928.db2.gz URAYLGZLQNUHIP-UHFFFAOYSA-N -1 1 395.890 4.150 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000181060569 821614405 /nfs/dbraw/zinc/61/44/05/821614405.db2.gz PNIPIBHRMWFYTL-UHFFFAOYSA-N -1 1 384.432 4.117 20 0 GIADMM Cc1c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)oc2c1c(C)ccc2C ZINC000181065893 821616336 /nfs/dbraw/zinc/61/63/36/821616336.db2.gz LJORCIDDUFSKSB-UHFFFAOYSA-N -1 1 390.436 4.121 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000181081606 821623286 /nfs/dbraw/zinc/62/32/86/821623286.db2.gz GTZQPZTZTXFHDF-QZTJIDSGSA-N -1 1 398.459 4.093 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c(C)c1F ZINC000181155259 821667651 /nfs/dbraw/zinc/66/76/51/821667651.db2.gz DCMICNBPFALEHG-UHFFFAOYSA-N -1 1 390.436 4.215 20 0 GIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000181320508 821756691 /nfs/dbraw/zinc/75/66/91/821756691.db2.gz MPGXWJMGZZKVAX-UHFFFAOYSA-N -1 1 385.432 4.089 20 0 GIADMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cc21 ZINC000181686349 821943646 /nfs/dbraw/zinc/94/36/46/821943646.db2.gz ZGMHIVKTGDEEMP-UHFFFAOYSA-N -1 1 395.431 4.062 20 0 GIADMM CCCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000181836550 822012132 /nfs/dbraw/zinc/01/21/32/822012132.db2.gz MZHFIXNLPCDGQE-ZDUSSCGKSA-N -1 1 378.432 4.034 20 0 GIADMM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc([O-])cc1F ZINC000181934058 822039603 /nfs/dbraw/zinc/03/96/03/822039603.db2.gz XXXQEZTXMQHQIQ-UHFFFAOYSA-N -1 1 376.815 4.063 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c2ccccc12 ZINC000182284855 822186650 /nfs/dbraw/zinc/18/66/50/822186650.db2.gz YWSNLNZDFPAFMN-UHFFFAOYSA-N -1 1 379.441 4.080 20 0 GIADMM O=c1cc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c2ccc([O-])cc2o1 ZINC000182712357 822357066 /nfs/dbraw/zinc/35/70/66/822357066.db2.gz ORVZABDRRBVGMZ-JOCHJYFZSA-N -1 1 392.842 4.426 20 0 GIADMM COc1ccc(N[C@H]2CCCOc3cc(C)c(C)cc32)cc1[N-]S(C)(=O)=O ZINC000182729952 822358773 /nfs/dbraw/zinc/35/87/73/822358773.db2.gz UZWBBNXYFWOMBH-KRWDZBQOSA-N -1 1 390.505 4.009 20 0 GIADMM COc1ccc(N[C@H](C)c2sc(C(C)C)nc2C)cc1[N-]S(C)(=O)=O ZINC000182734909 822359658 /nfs/dbraw/zinc/35/96/58/822359658.db2.gz SYPAYOGAMPXDIS-LLVKDONJSA-N -1 1 383.539 4.128 20 0 GIADMM CCOc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000045348865 822380461 /nfs/dbraw/zinc/38/04/61/822380461.db2.gz XSYZEOKRSQBFNN-MRXNPFEDSA-N -1 1 396.487 4.156 20 0 GIADMM O=C(NCC1(c2ccccc2)CCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045370182 822382018 /nfs/dbraw/zinc/38/20/18/822382018.db2.gz KGKZOZLWNQGDKN-UHFFFAOYSA-N -1 1 392.499 4.118 20 0 GIADMM CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182874491 822383714 /nfs/dbraw/zinc/38/37/14/822383714.db2.gz ZWUAWYYHKMOPDI-UHFFFAOYSA-N -1 1 375.837 4.378 20 0 GIADMM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182876697 822384166 /nfs/dbraw/zinc/38/41/66/822384166.db2.gz XRDBUPBOGISIOF-OAHLLOKOSA-N -1 1 390.867 4.293 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000182879889 822385134 /nfs/dbraw/zinc/38/51/34/822385134.db2.gz WQRXHJUYPMUSLY-GFCCVEGCSA-N -1 1 391.830 4.067 20 0 GIADMM CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc(Cl)c1 ZINC000045408312 822385394 /nfs/dbraw/zinc/38/53/94/822385394.db2.gz RATNWAPDOLHXPT-OAHLLOKOSA-N -1 1 379.913 4.066 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2Br)c1 ZINC000182910697 822391109 /nfs/dbraw/zinc/39/11/09/822391109.db2.gz DSTUEDBRYUXVQB-UHFFFAOYSA-N -1 1 385.055 4.478 20 0 GIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182912312 822391334 /nfs/dbraw/zinc/39/13/34/822391334.db2.gz FWCOHXGCHKQORK-UHFFFAOYSA-N -1 1 392.334 4.211 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nnc(C3CCCC3)o2)c1 ZINC000182920871 822392920 /nfs/dbraw/zinc/39/29/20/822392920.db2.gz RRWGQQYKAJVBQA-UHFFFAOYSA-N -1 1 394.269 4.075 20 0 GIADMM COc1ccc(NCc2ccc(-c3ccc(F)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000178818705 822413612 /nfs/dbraw/zinc/41/36/12/822413612.db2.gz SLIYCFPYONRUFT-UHFFFAOYSA-N -1 1 390.436 4.078 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000045853226 822419145 /nfs/dbraw/zinc/41/91/45/822419145.db2.gz XNXVVDUFNJSAGA-GOSISDBHSA-N -1 1 378.501 4.280 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(C(C)C)cc2)c1 ZINC000183289431 822453705 /nfs/dbraw/zinc/45/37/05/822453705.db2.gz TZBNHLJKUPLQBX-UHFFFAOYSA-N -1 1 393.443 4.341 20 0 GIADMM CCc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000047119237 822545742 /nfs/dbraw/zinc/54/57/42/822545742.db2.gz APFMDLBYKYIIOM-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCOc1ccccc1C(=O)[O-] ZINC000183917928 822546179 /nfs/dbraw/zinc/54/61/79/822546179.db2.gz VHGRKIQCWDUHDP-UHFFFAOYSA-N -1 1 393.487 4.007 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)cc2C)cc1 ZINC000047182720 822551812 /nfs/dbraw/zinc/55/18/12/822551812.db2.gz OVYOABSSWUSDMZ-UHFFFAOYSA-N -1 1 395.532 4.319 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c(C)n1 ZINC000179786048 822552757 /nfs/dbraw/zinc/55/27/57/822552757.db2.gz HKSMQCBCKMPASB-UHFFFAOYSA-N -1 1 397.381 4.187 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1 ZINC000047367544 822571449 /nfs/dbraw/zinc/57/14/49/822571449.db2.gz ZYJFBEGZVSQCDQ-UHFFFAOYSA-N -1 1 382.441 4.238 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179916302 822576481 /nfs/dbraw/zinc/57/64/81/822576481.db2.gz WUASRDUGNGTBJV-NQIIRXRSSA-N -1 1 379.431 4.413 20 0 GIADMM CCCCN(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184148465 822585727 /nfs/dbraw/zinc/58/57/27/822585727.db2.gz SIDFALCEMPDULV-UHFFFAOYSA-N -1 1 375.494 4.141 20 0 GIADMM CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCCC1 ZINC000184149222 822585966 /nfs/dbraw/zinc/58/59/66/822585966.db2.gz BTMLYOODDMRPQV-UHFFFAOYSA-N -1 1 387.505 4.284 20 0 GIADMM CC[C@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184150994 822586388 /nfs/dbraw/zinc/58/63/88/822586388.db2.gz OYRRBIHYJSUXPQ-SFHVURJKSA-N -1 1 387.505 4.284 20 0 GIADMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1sccc1Br ZINC000048445095 822662602 /nfs/dbraw/zinc/66/26/02/822662602.db2.gz MQVPXKVJUNAQGH-VIFPVBQESA-N -1 1 394.743 4.074 20 0 GIADMM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)Nc3ccc([O-])c(Cl)c3)nc21 ZINC000455593751 822680651 /nfs/dbraw/zinc/68/06/51/822680651.db2.gz BSPLPPZROHFCCV-SNVBAGLBSA-N -1 1 395.868 4.129 20 0 GIADMM CCn1c2ccccc2c(C(=O)CN(C)CCCC(=O)[O-])c1-c1ccccc1 ZINC000455651803 822691821 /nfs/dbraw/zinc/69/18/21/822691821.db2.gz WPJFBQHQNBNIED-UHFFFAOYSA-N -1 1 378.472 4.308 20 0 GIADMM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc4ccccc4c3[O-])n2)CCC1 ZINC000184860095 822701908 /nfs/dbraw/zinc/70/19/08/822701908.db2.gz ZFAZPJVKIVZIAB-UHFFFAOYSA-N -1 1 381.432 4.499 20 0 GIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184876780 822705603 /nfs/dbraw/zinc/70/56/03/822705603.db2.gz XHKUPRFPFZWHFV-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000180594760 822707876 /nfs/dbraw/zinc/70/78/76/822707876.db2.gz WSARDRFOWMNWKP-APPDUMDISA-N -1 1 383.341 4.152 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@H]3CC[C@H]3C)c2)c1 ZINC000455777598 822724842 /nfs/dbraw/zinc/72/48/42/822724842.db2.gz DGMUVXPMSRPFHX-KDOFPFPSSA-N -1 1 387.505 4.024 20 0 GIADMM CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455781890 822725624 /nfs/dbraw/zinc/72/56/24/822725624.db2.gz HDPSUUPWOAASQC-HNNXBMFYSA-N -1 1 375.494 4.024 20 0 GIADMM CCN(C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C1CCCCC1 ZINC000185049314 822729244 /nfs/dbraw/zinc/72/92/44/822729244.db2.gz LZJJGMQTCNIUOR-UHFFFAOYSA-N -1 1 385.533 4.019 20 0 GIADMM CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000185057044 822730345 /nfs/dbraw/zinc/73/03/45/822730345.db2.gz KYEKWOVNRADNGU-OAHLLOKOSA-N -1 1 393.512 4.427 20 0 GIADMM Cc1cc(C)cc(C2(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)CC2)c1 ZINC000051286266 822754319 /nfs/dbraw/zinc/75/43/19/822754319.db2.gz PWAMJSVQQWJIAX-UHFFFAOYSA-N -1 1 377.484 4.162 20 0 GIADMM COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000051286355 822754327 /nfs/dbraw/zinc/75/43/27/822754327.db2.gz RWAYCMRZZCOAQO-HNNXBMFYSA-N -1 1 399.512 4.003 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC4(CC4)C3)cc2)c1C ZINC000185356961 822770660 /nfs/dbraw/zinc/77/06/60/822770660.db2.gz RVEVSQIRJRBXIG-UHFFFAOYSA-N -1 1 398.528 4.120 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456417468 822805653 /nfs/dbraw/zinc/80/56/53/822805653.db2.gz KLCJSOAPUHDNGM-GOSISDBHSA-N -1 1 398.894 4.001 20 0 GIADMM CC(C)CCN1Cc2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2C1 ZINC000185802533 822822384 /nfs/dbraw/zinc/82/23/84/822822384.db2.gz IBORADLMQUPOCO-UHFFFAOYSA-N -1 1 378.394 4.424 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000174697205 822824855 /nfs/dbraw/zinc/82/48/55/822824855.db2.gz NKVNJHUBPOSUPC-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000174749323 822831907 /nfs/dbraw/zinc/83/19/07/822831907.db2.gz WIBGUFATEWDXGG-UHFFFAOYSA-N -1 1 388.386 4.154 20 0 GIADMM O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456797103 822832131 /nfs/dbraw/zinc/83/21/31/822832131.db2.gz YZLVWLPJZFGYEX-UHFFFAOYSA-N -1 1 394.462 4.254 20 0 GIADMM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1cccc2ncccc21 ZINC000174772018 822835074 /nfs/dbraw/zinc/83/50/74/822835074.db2.gz ATWVZFGZJJQNDI-UHFFFAOYSA-N -1 1 377.425 4.223 20 0 GIADMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ncoc1-c1ccc(F)cc1 ZINC000186245154 822864371 /nfs/dbraw/zinc/86/43/71/822864371.db2.gz CDYZMKBOYPJQHQ-UHFFFAOYSA-N -1 1 397.797 4.026 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174985662 822864461 /nfs/dbraw/zinc/86/44/61/822864461.db2.gz PLHKCDQFKNAHQF-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186413775 822890726 /nfs/dbraw/zinc/89/07/26/822890726.db2.gz YCZNDHHYPMVWOK-NSHDSACASA-N -1 1 395.272 4.477 20 0 GIADMM C[C@@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)[C@H]1c1ccccc1 ZINC000175179856 822898656 /nfs/dbraw/zinc/89/86/56/822898656.db2.gz HEIIWBPWMOKKEF-CXAGYDPISA-N -1 1 384.530 4.279 20 0 GIADMM C[C@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)[C@@H]1c1ccccc1 ZINC000175179839 822898736 /nfs/dbraw/zinc/89/87/36/822898736.db2.gz HEIIWBPWMOKKEF-GUYCJALGSA-N -1 1 384.530 4.279 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(CC)CC2)cc1 ZINC000054612125 822899049 /nfs/dbraw/zinc/89/90/49/822899049.db2.gz SFSFVRRVOSGWMB-UHFFFAOYSA-N -1 1 388.537 4.045 20 0 GIADMM CC(C)Sc1c(Cl)cccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000569297588 822903760 /nfs/dbraw/zinc/90/37/60/822903760.db2.gz UBWYBXWRWWAIMA-UHFFFAOYSA-N -1 1 399.921 4.268 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1cnc(-c2ccccn2)s1 ZINC000175251414 822914517 /nfs/dbraw/zinc/91/45/17/822914517.db2.gz COLOKXUJOZVKNA-UHFFFAOYSA-N -1 1 396.216 4.498 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc(Cl)c1[O-] ZINC000186590823 822919270 /nfs/dbraw/zinc/91/92/70/822919270.db2.gz XKCACODYQNLMQU-UHFFFAOYSA-N -1 1 383.835 4.462 20 0 GIADMM O=S(=O)(Cc1ccc(Oc2ccccc2F)c(F)c1)c1ccc([O-])cc1 ZINC000569466721 822926760 /nfs/dbraw/zinc/92/67/60/822926760.db2.gz JOXNWZHNZIUPMM-UHFFFAOYSA-N -1 1 376.380 4.437 20 0 GIADMM CCCOCc1ccccc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186642852 822928315 /nfs/dbraw/zinc/92/83/15/822928315.db2.gz SNECBBQDKMNUGA-UHFFFAOYSA-N -1 1 377.868 4.301 20 0 GIADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000055111111 822939189 /nfs/dbraw/zinc/93/91/89/822939189.db2.gz LYFVVEYOPQUUQV-STQMWFEESA-N -1 1 388.414 4.041 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000186814371 822959650 /nfs/dbraw/zinc/95/96/50/822959650.db2.gz MCTUBGOHDBRCIE-QGZVFWFLSA-N -1 1 388.895 4.185 20 0 GIADMM CCOc1cc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000186814628 822959885 /nfs/dbraw/zinc/95/98/85/822959885.db2.gz WDNNGBQCVVXMHZ-UHFFFAOYSA-N -1 1 393.842 4.267 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2csc([C@H](C)OCC)n2)cc(Cl)c1[O-] ZINC000186837733 822964799 /nfs/dbraw/zinc/96/47/99/822964799.db2.gz AATQXOKWIXJTIE-NSHDSACASA-N -1 1 398.912 4.271 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186864490 822970676 /nfs/dbraw/zinc/97/06/76/822970676.db2.gz GPYBCPOHHXHYSS-ZBEGNZNMSA-N -1 1 381.881 4.108 20 0 GIADMM CCc1nc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)sc1C(C)(C)C ZINC000458274483 822976916 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20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c(Br)c1 ZINC000187060086 823005164 /nfs/dbraw/zinc/00/51/64/823005164.db2.gz MCGYNZZEYWAXQI-UHFFFAOYSA-N -1 1 384.295 4.189 20 0 GIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)c(C)c1O ZINC000187062689 823005462 /nfs/dbraw/zinc/00/54/62/823005462.db2.gz NOLQNDKZGMWQKL-UHFFFAOYSA-N -1 1 388.258 4.020 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H](C)C2)cc1 ZINC000187099329 823010404 /nfs/dbraw/zinc/01/04/04/823010404.db2.gz IKUDPNAJODWHFX-INIZCTEOSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(Cc3ccccc3F)s2)c1 ZINC000187112597 823012331 /nfs/dbraw/zinc/01/23/31/823012331.db2.gz NCMMEEQTXHEDDX-INIZCTEOSA-N -1 1 393.443 4.143 20 0 GIADMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187246195 823029811 /nfs/dbraw/zinc/02/98/11/823029811.db2.gz MEEYSXSULKTTSX-KDOFPFPSSA-N -1 1 379.460 4.418 20 0 GIADMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187246230 823029863 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CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000190671810 823597078 /nfs/dbraw/zinc/59/70/78/823597078.db2.gz RHYBDWPLBSCHBL-GFCCVEGCSA-N -1 1 380.204 4.205 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2nn1C ZINC000461333875 823619213 /nfs/dbraw/zinc/61/92/13/823619213.db2.gz OTNRPMIGIGJCMI-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C)cc2nn1C ZINC000461345255 823621197 /nfs/dbraw/zinc/62/11/97/823621197.db2.gz PSIANBQKHLVCIT-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000124926006 823637636 /nfs/dbraw/zinc/63/76/36/823637636.db2.gz HCKOLKFQBZCZKR-NJAFHUGGSA-N -1 1 384.549 4.486 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)cc1 ZINC000461489069 823647195 /nfs/dbraw/zinc/64/71/95/823647195.db2.gz NCFSTNPLZNARRV-UTKZUKDTSA-N -1 1 398.528 4.201 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412734712 823678853 /nfs/dbraw/zinc/67/88/53/823678853.db2.gz HPKYZIFUCPAVRR-GOSISDBHSA-N -1 1 391.389 4.405 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(Br)s2)CC1 ZINC000125548412 823684346 /nfs/dbraw/zinc/68/43/46/823684346.db2.gz UPCJGOAIFONZSU-UHFFFAOYSA-N -1 1 380.307 4.311 20 0 GIADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCC)c2)cc1 ZINC000063678805 823688853 /nfs/dbraw/zinc/68/88/53/823688853.db2.gz XBXGFPONWQQIMS-UHFFFAOYSA-N -1 1 388.533 4.312 20 0 GIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000063849317 823701908 /nfs/dbraw/zinc/70/19/08/823701908.db2.gz JCFZSPRFWJVBJS-UHFFFAOYSA-N -1 1 389.395 4.311 20 0 GIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)no1 ZINC000063849707 823701919 /nfs/dbraw/zinc/70/19/19/823701919.db2.gz RPVDTKHBVJWQQG-UHFFFAOYSA-N -1 1 384.244 4.153 20 0 GIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnc([C@H]4CCCO4)s3)s2)c1 ZINC000125787095 823710230 /nfs/dbraw/zinc/71/02/30/823710230.db2.gz LIRQQCMGLAKJFH-CYBMUJFWSA-N -1 1 386.502 4.382 20 0 GIADMM CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC000163492024 823715552 /nfs/dbraw/zinc/71/55/52/823715552.db2.gz FNUGGWKLAJZDGD-UHFFFAOYSA-N -1 1 386.423 4.471 20 0 GIADMM CCS[C@H](C)c1noc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000163898646 823758792 /nfs/dbraw/zinc/75/87/92/823758792.db2.gz DERLSFJMQXPOTG-GFCCVEGCSA-N -1 1 388.518 4.235 20 0 GIADMM CCCc1nsc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000461937231 823765162 /nfs/dbraw/zinc/76/51/62/823765162.db2.gz BCRWTXJKJVAMTB-UHFFFAOYSA-N -1 1 375.475 4.084 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000064302383 823788469 /nfs/dbraw/zinc/78/84/69/823788469.db2.gz ZLTWLIJZFFMCEA-UHFFFAOYSA-N -1 1 395.484 4.153 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000064313625 823789487 /nfs/dbraw/zinc/78/94/87/823789487.db2.gz XVNFMLGGSCHSBZ-OAHLLOKOSA-N -1 1 390.505 4.268 20 0 GIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]NC(=O)CCSc1ccc(F)cc1 ZINC000064706939 823868199 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Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3c(C)cccc3C2)c1 ZINC000170923810 824006225 /nfs/dbraw/zinc/00/62/25/824006225.db2.gz URNZOTJPJCYQAC-UHFFFAOYSA-N -1 1 392.528 4.200 20 0 GIADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccc(Br)cc1 ZINC000575839742 824009206 /nfs/dbraw/zinc/00/92/06/824009206.db2.gz XEQMAIOIFHUFSJ-SSDOTTSWSA-N -1 1 389.221 4.246 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccccc3[C@H]2C)cc1 ZINC000170951531 824014901 /nfs/dbraw/zinc/01/49/01/824014901.db2.gz YKVMXIUXYPOBEH-MRXNPFEDSA-N -1 1 392.528 4.452 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@H](c2ccccc2)CC1 ZINC000171030317 824042965 /nfs/dbraw/zinc/04/29/65/824042965.db2.gz RQWWDEOAXWROOC-INIZCTEOSA-N -1 1 398.557 4.465 20 0 GIADMM CSc1nc(C)c(CCc2nc(C(C)(C)C3CCCCC3)no2)c(=O)[n-]1 ZINC000570588980 823058124 /nfs/dbraw/zinc/05/81/24/823058124.db2.gz DELFNDPKMOLRAY-UHFFFAOYSA-N -1 1 376.526 4.239 20 0 GIADMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000175970397 823084757 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20 0 GIADMM CC1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]2CCC[C@H]21 ZINC000571691072 823219442 /nfs/dbraw/zinc/21/94/42/823219442.db2.gz LQRSICAZHIKDCH-UXHICEINSA-N -1 1 398.528 4.138 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000176533520 823230829 /nfs/dbraw/zinc/23/08/29/823230829.db2.gz DYKGIQVYDOFYLR-VQIMIIECSA-N -1 1 392.528 4.321 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000176537063 823232035 /nfs/dbraw/zinc/23/20/35/823232035.db2.gz MAOFRRXYWWVSJD-VQIMIIECSA-N -1 1 392.528 4.321 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccc(F)c1F ZINC000176581369 823241498 /nfs/dbraw/zinc/24/14/98/823241498.db2.gz LNKPSJKSJQGATN-UHFFFAOYSA-N -1 1 398.390 4.287 20 0 GIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000176603676 823246471 /nfs/dbraw/zinc/24/64/71/823246471.db2.gz MRBSBINMSCROED-CHWSQXEVSA-N -1 1 378.929 4.298 20 0 GIADMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000057125295 823251637 /nfs/dbraw/zinc/25/16/37/823251637.db2.gz RMUNFUGMCIQZIA-UHFFFAOYSA-N -1 1 394.924 4.140 20 0 GIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000121822934 823258153 /nfs/dbraw/zinc/25/81/53/823258153.db2.gz GCNOOZUQDJWOLW-UHFFFAOYSA-N -1 1 383.469 4.213 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000001019634 817374463 /nfs/dbraw/zinc/37/44/63/817374463.db2.gz MIOCFKIKSGHCCS-UHFFFAOYSA-N -1 1 399.497 4.262 20 0 GIADMM CC(F)(F)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000188557985 823261853 /nfs/dbraw/zinc/26/18/53/823261853.db2.gz ATVCBHIYXCQJPC-UHFFFAOYSA-N -1 1 393.770 4.090 20 0 GIADMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176675013 823264555 /nfs/dbraw/zinc/26/45/55/823264555.db2.gz HYALOQRBLBSMPN-UHFFFAOYSA-N -1 1 386.498 4.414 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000176692020 823268896 /nfs/dbraw/zinc/26/88/96/823268896.db2.gz DHPOLQFUDZOKKE-UHFFFAOYSA-N -1 1 375.421 4.245 20 0 GIADMM COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000005171391 817556914 /nfs/dbraw/zinc/55/69/14/817556914.db2.gz CQQQBYKVMQCSMW-UHFFFAOYSA-N -1 1 392.436 4.017 20 0 GIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccccc1 ZINC000005311869 817572592 /nfs/dbraw/zinc/57/25/92/817572592.db2.gz QGTZZEXKVWBCGD-UHFFFAOYSA-N -1 1 379.441 4.069 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000176724106 823278123 /nfs/dbraw/zinc/27/81/23/823278123.db2.gz OOCWPPYSSPFOIQ-UHFFFAOYSA-N -1 1 390.411 4.048 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000176724699 823278383 /nfs/dbraw/zinc/27/83/83/823278383.db2.gz UCNKFZBWYSVAHL-UHFFFAOYSA-N -1 1 390.411 4.048 20 0 GIADMM O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007109036 817762296 /nfs/dbraw/zinc/76/22/96/817762296.db2.gz RMGWKGKNLWIXOK-UHFFFAOYSA-N -1 1 379.195 4.091 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000007127719 817768241 /nfs/dbraw/zinc/76/82/41/817768241.db2.gz XRXGSRIUUJAPNQ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188744985 823296749 /nfs/dbraw/zinc/29/67/49/823296749.db2.gz JLDICTBVANIWHB-INIZCTEOSA-N -1 1 386.883 4.056 20 0 GIADMM Cc1nc(-c2cccs2)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007719666 817902279 /nfs/dbraw/zinc/90/22/79/817902279.db2.gz IEBMPEJABHHZCB-UHFFFAOYSA-N -1 1 399.449 4.349 20 0 GIADMM CCc1nc2ccccc2c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1C ZINC000007790747 817915978 /nfs/dbraw/zinc/91/59/78/817915978.db2.gz PYEHVJLGQUZHEI-UHFFFAOYSA-N -1 1 389.407 4.275 20 0 GIADMM COc1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000460203500 823315714 /nfs/dbraw/zinc/31/57/14/823315714.db2.gz RSDUFROVZCRZAN-UHFFFAOYSA-N -1 1 391.851 4.112 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000012211331 818146783 /nfs/dbraw/zinc/14/67/83/818146783.db2.gz WCMKRDLHCKTHBL-UHFFFAOYSA-N -1 1 378.501 4.434 20 0 GIADMM COc1cc(C(=O)N[C@H]2CCc3c2cccc3Br)cc(Cl)c1[O-] ZINC000460203985 823316077 /nfs/dbraw/zinc/31/60/77/823316077.db2.gz LCHDHCNFZJMIMA-AWEZNQCLSA-N -1 1 396.668 4.234 20 0 GIADMM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341322 818210045 /nfs/dbraw/zinc/21/00/45/818210045.db2.gz SBXYTOBAVYBDOE-UHFFFAOYSA-N -1 1 394.663 4.454 20 0 GIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000122226133 823324280 /nfs/dbraw/zinc/32/42/80/823324280.db2.gz CCKGDEBALDONLZ-UHFFFAOYSA-N -1 1 398.250 4.221 20 0 GIADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2)c1 ZINC000015232248 818300824 /nfs/dbraw/zinc/30/08/24/818300824.db2.gz ZSFKRQZALQVKOT-UHFFFAOYSA-N -1 1 381.741 4.185 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1C ZINC000015272476 818305207 /nfs/dbraw/zinc/30/52/07/818305207.db2.gz UGSKIFBRNCFXQN-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1C ZINC000015344648 818314718 /nfs/dbraw/zinc/31/47/18/818314718.db2.gz SKWYQBXSMWWSRZ-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C ZINC000015414480 818323520 /nfs/dbraw/zinc/32/35/20/818323520.db2.gz ODJYWPGSMUENDR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C([N-]n1cnc2ccccc2c1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000015535618 818334461 /nfs/dbraw/zinc/33/44/61/818334461.db2.gz BJQMMKOOTZMDFL-UHFFFAOYSA-N -1 1 381.844 4.162 20 0 GIADMM Cc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000015544933 818336545 /nfs/dbraw/zinc/33/65/45/818336545.db2.gz QOHYPUSHUDXSPT-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015615455 818348670 /nfs/dbraw/zinc/34/86/70/818348670.db2.gz FDMMYTLZOLEGFH-UHFFFAOYSA-N -1 1 380.897 4.059 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC(=O)N(C)C)c(C)c1 ZINC000057785060 823332211 /nfs/dbraw/zinc/33/22/11/823332211.db2.gz JDGNPCAUZKCKSS-UHFFFAOYSA-N -1 1 378.519 4.186 20 0 GIADMM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000057778758 823331536 /nfs/dbraw/zinc/33/15/36/823331536.db2.gz YSDLHTWVAMDRJG-UHFFFAOYSA-N -1 1 389.164 4.484 20 0 GIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000188953350 823333310 /nfs/dbraw/zinc/33/33/10/823333310.db2.gz OOPJARMPLJZQAK-UHFFFAOYSA-N -1 1 392.908 4.156 20 0 GIADMM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])s1 ZINC000188955999 823333813 /nfs/dbraw/zinc/33/38/13/823333813.db2.gz QIYVGJIXWWJEJC-UHFFFAOYSA-N -1 1 399.384 4.396 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2C)cc1 ZINC000016504670 818450599 /nfs/dbraw/zinc/45/05/99/818450599.db2.gz ALZHNGWWFOFDTM-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cc1 ZINC000016597974 818458200 /nfs/dbraw/zinc/45/82/00/818458200.db2.gz IJMJFQKBHPAGHO-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1 ZINC000016640112 818461700 /nfs/dbraw/zinc/46/17/00/818461700.db2.gz OWLRWECXQKIZNS-UHFFFAOYSA-N -1 1 382.489 4.207 20 0 GIADMM CC(C)Cn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccccc1F ZINC000016719507 818468263 /nfs/dbraw/zinc/46/82/63/818468263.db2.gz SGUDEYLFDPJKBJ-UHFFFAOYSA-N -1 1 385.464 4.421 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000017334522 818510845 /nfs/dbraw/zinc/51/08/45/818510845.db2.gz KSBGCPVPRWKTMY-UHFFFAOYSA-N -1 1 394.496 4.068 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000017335250 818510918 /nfs/dbraw/zinc/51/09/18/818510918.db2.gz CKFBCNYUINJMLP-UHFFFAOYSA-N -1 1 376.913 4.268 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000018111309 818546959 /nfs/dbraw/zinc/54/69/59/818546959.db2.gz XUIBXJQUJFTSLA-UHFFFAOYSA-N -1 1 386.904 4.218 20 0 GIADMM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1cc(Cl)sc1Cl ZINC000409930172 823346149 /nfs/dbraw/zinc/34/61/49/823346149.db2.gz UBKLSRVOVRTYTO-UHFFFAOYSA-N -1 1 375.302 4.057 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000122417458 823351288 /nfs/dbraw/zinc/35/12/88/823351288.db2.gz JGXOZOZCQNBNRI-UHFFFAOYSA-N -1 1 386.411 4.146 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3O)cc2)c1C ZINC000022024275 818765589 /nfs/dbraw/zinc/76/55/89/818765589.db2.gz YGTOEMGCUTUSII-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022617327 818834029 /nfs/dbraw/zinc/83/40/29/818834029.db2.gz BBXBUTNHELUCNO-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022616229 818834194 /nfs/dbraw/zinc/83/41/94/818834194.db2.gz CPTSZKVRCIBDSK-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000022651385 818837515 /nfs/dbraw/zinc/83/75/15/818837515.db2.gz WWZHNDVYGXZMDL-UHFFFAOYSA-N -1 1 398.528 4.416 20 0 GIADMM CC(=O)Nc1cccc2c1CCN(Cn1c(CCC3CCCC3)n[n-]c1=S)C2 ZINC000058206187 823368758 /nfs/dbraw/zinc/36/87/58/823368758.db2.gz RIROWUHNNHOJLY-UHFFFAOYSA-N -1 1 399.564 4.038 20 0 GIADMM C[C@@H]1CC[C@H](C(=O)Nc2cc([O-])c(Br)cc2Br)C1 ZINC000412295999 823643984 /nfs/dbraw/zinc/64/39/84/823643984.db2.gz YFUBAULZVBBLJC-SFYZADRCSA-N -1 1 377.076 4.292 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)c1 ZINC000460414301 823381259 /nfs/dbraw/zinc/38/12/59/823381259.db2.gz ACEHJGFUZMSJRR-UHFFFAOYSA-N -1 1 394.924 4.101 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(F)(F)F)c1 ZINC000460420434 823383338 /nfs/dbraw/zinc/38/33/38/823383338.db2.gz NJHVYWOWTVASSH-UHFFFAOYSA-N -1 1 377.359 4.271 20 0 GIADMM Cc1cc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])c(C)s1 ZINC000460451392 823393826 /nfs/dbraw/zinc/39/38/26/823393826.db2.gz PMZSAMFKNFSQOK-UHFFFAOYSA-N -1 1 385.532 4.041 20 0 GIADMM COC(=O)c1cccc(OCCSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000460450649 823393534 /nfs/dbraw/zinc/39/35/34/823393534.db2.gz NYUBONVESAGYHZ-UHFFFAOYSA-N -1 1 396.468 4.115 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000460441671 823390623 /nfs/dbraw/zinc/39/06/23/823390623.db2.gz AIIDCQLZXRRJJY-UHFFFAOYSA-N -1 1 386.517 4.021 20 0 GIADMM CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460444369 823391379 /nfs/dbraw/zinc/39/13/79/823391379.db2.gz OMJSNQXJFHQQKI-UHFFFAOYSA-N -1 1 395.484 4.287 20 0 GIADMM CCCOc1cc(C)ccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000058566485 823410448 /nfs/dbraw/zinc/41/04/48/823410448.db2.gz HUJUIVQOTXVPMI-UHFFFAOYSA-N -1 1 388.518 4.405 20 0 GIADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000122848067 823422739 /nfs/dbraw/zinc/42/27/39/823422739.db2.gz YKARMOWQCRQWIY-XMMPIXPASA-N -1 1 393.917 4.173 20 0 GIADMM CC(C)CCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025345629 819967107 /nfs/dbraw/zinc/96/71/07/819967107.db2.gz FCANTVTVRMPUKK-KRWDZBQOSA-N -1 1 388.533 4.432 20 0 GIADMM CCCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000025347571 819967790 /nfs/dbraw/zinc/96/77/90/819967790.db2.gz ZCYWOOZYHTZZGN-OAHLLOKOSA-N -1 1 392.496 4.325 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(C)n3)ccc2C)c1 ZINC000025367913 819971245 /nfs/dbraw/zinc/97/12/45/819971245.db2.gz XCNVYLCXXJJALO-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM COc1cc(CN(C)C(=O)c2cc(Br)ccc2[O-])ccc1SC ZINC000058771842 823448880 /nfs/dbraw/zinc/44/88/80/823448880.db2.gz MGVWMAHJRBNLNM-UHFFFAOYSA-N -1 1 396.306 4.157 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)o1 ZINC000026540110 820111007 /nfs/dbraw/zinc/11/10/07/820111007.db2.gz VNQDBYBKJWJPSD-UHFFFAOYSA-N -1 1 398.362 4.349 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(F)c(Cl)cc1Cl ZINC000026570145 820115974 /nfs/dbraw/zinc/11/59/74/820115974.db2.gz GCJMPXJXCPUVPH-UHFFFAOYSA-N -1 1 383.158 4.302 20 0 GIADMM Cc1ccc(Oc2ccccc2)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000573146101 823455281 /nfs/dbraw/zinc/45/52/81/823455281.db2.gz LSPAJBDRRHJTFH-UHFFFAOYSA-N -1 1 397.452 4.215 20 0 GIADMM Cc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)ccc1Br ZINC000410299425 823455412 /nfs/dbraw/zinc/45/54/12/823455412.db2.gz UPPWOJLBYHCUCH-UHFFFAOYSA-N -1 1 395.322 4.427 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000026980216 820172173 /nfs/dbraw/zinc/17/21/73/820172173.db2.gz OJGPSFPXRKXPBE-WMLDXEAASA-N -1 1 388.537 4.091 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)C(C)C)c2)cc1F ZINC000027231808 820213141 /nfs/dbraw/zinc/21/31/41/820213141.db2.gz WIEKECXKJBOPSR-HNNXBMFYSA-N -1 1 392.496 4.051 20 0 GIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3C(C)C)c2)c1 ZINC000410324536 823463366 /nfs/dbraw/zinc/46/33/66/823463366.db2.gz COXHQWPLBKNJMS-UHFFFAOYSA-N -1 1 399.516 4.254 20 0 GIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000028494908 820340514 /nfs/dbraw/zinc/34/05/14/820340514.db2.gz CZOLFVPHASEYOV-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000028791183 820358365 /nfs/dbraw/zinc/35/83/65/820358365.db2.gz FHOKFLCARUNRSX-UHFFFAOYSA-N -1 1 387.457 4.122 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000028810172 820359810 /nfs/dbraw/zinc/35/98/10/820359810.db2.gz QIXGJJJYVDELPS-LBPRGKRZSA-N -1 1 376.503 4.045 20 0 GIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)nc1 ZINC000029005004 820382812 /nfs/dbraw/zinc/38/28/12/820382812.db2.gz XNROXOAAORPEQU-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(OC3CCCC3)cc2)c(=O)[n-]1 ZINC000029377257 820446309 /nfs/dbraw/zinc/44/63/09/820446309.db2.gz IDULFFMFADDPBU-UHFFFAOYSA-N -1 1 387.505 4.105 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000029447991 820456577 /nfs/dbraw/zinc/45/65/77/820456577.db2.gz VZDPULUZVBATGL-HNNXBMFYSA-N -1 1 392.496 4.196 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c(=O)[n-]1 ZINC000029928728 820550347 /nfs/dbraw/zinc/55/03/47/820550347.db2.gz AXAYWEXVVBIMBU-UHFFFAOYSA-N -1 1 399.560 4.460 20 0 GIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000410404159 823488311 /nfs/dbraw/zinc/48/83/11/823488311.db2.gz VAIMFPAIMKHDHN-UHFFFAOYSA-N -1 1 388.411 4.438 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000030015137 820569536 /nfs/dbraw/zinc/56/95/36/820569536.db2.gz NXFCEFMOZJKTJK-HOCLYGCPSA-N -1 1 388.537 4.091 20 0 GIADMM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1F ZINC000123403230 823506033 /nfs/dbraw/zinc/50/60/33/823506033.db2.gz NBWFNZHVSVXNSA-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc([C@@H]3CCCOC3)nc2C)c(F)c1F ZINC000410646488 823507814 /nfs/dbraw/zinc/50/78/14/823507814.db2.gz ZMBCTFDMIAERKK-SNVBAGLBSA-N -1 1 398.406 4.218 20 0 GIADMM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccccc1-c1ccccc1 ZINC000031722437 820851553 /nfs/dbraw/zinc/85/15/53/820851553.db2.gz PDCSNERXHKVURN-UHFFFAOYSA-N -1 1 389.480 4.399 20 0 GIADMM CS[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000031816377 820864773 /nfs/dbraw/zinc/86/47/73/820864773.db2.gz KXDATKMUDVGNST-LBPRGKRZSA-N -1 1 398.937 4.139 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000032071850 820893869 /nfs/dbraw/zinc/89/38/69/820893869.db2.gz PXKOFHRPUZZSMO-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1Cl ZINC000032084606 820894990 /nfs/dbraw/zinc/89/49/90/820894990.db2.gz XRSQHGXMPLYWSB-UHFFFAOYSA-N -1 1 380.897 4.298 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000032098084 820897297 /nfs/dbraw/zinc/89/72/97/820897297.db2.gz QYZXLKHPFWFTDK-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2CN(CC)C(C)=O)cc1 ZINC000032627084 820979286 /nfs/dbraw/zinc/97/92/86/820979286.db2.gz PKYPORNVJBUEKV-MRXNPFEDSA-N -1 1 388.533 4.369 20 0 GIADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000032630378 820980261 /nfs/dbraw/zinc/98/02/61/820980261.db2.gz IWXPUGPKGLJXBA-UHFFFAOYSA-N -1 1 394.924 4.140 20 0 GIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC000460827019 823523671 /nfs/dbraw/zinc/52/36/71/823523671.db2.gz JLCNTVVYQHVLJG-INIZCTEOSA-N -1 1 388.533 4.448 20 0 GIADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000032746723 821002298 /nfs/dbraw/zinc/00/22/98/821002298.db2.gz MJCIKMOGGUBRQW-CMPLNLGQSA-N -1 1 393.270 4.337 20 0 GIADMM Cc1nc(NC(=O)CCc2ccsc2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123567039 823522020 /nfs/dbraw/zinc/52/20/20/823522020.db2.gz DVJYOKSQFJGYOH-UHFFFAOYSA-N -1 1 391.547 4.340 20 0 GIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000033097902 821033316 /nfs/dbraw/zinc/03/33/16/821033316.db2.gz QUZYCINFADMAFY-VQIMIIECSA-N -1 1 386.517 4.138 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(-c2ccccc2)cc1 ZINC000033876015 821060668 /nfs/dbraw/zinc/06/06/68/821060668.db2.gz FGFCONFMXQIHHQ-UHFFFAOYSA-N -1 1 381.453 4.316 20 0 GIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000181165418 821674324 /nfs/dbraw/zinc/67/43/24/821674324.db2.gz WXJPSQNXQSQRRX-RUMSDORHSA-N -1 1 379.485 4.083 20 0 GIADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000181165397 821674388 /nfs/dbraw/zinc/67/43/88/821674388.db2.gz WXJPSQNXQSQRRX-AYJWMTRPSA-N -1 1 379.485 4.083 20 0 GIADMM C[C@H]1CC(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C[C@H](C)C1 ZINC000182584335 822312602 /nfs/dbraw/zinc/31/26/02/822312602.db2.gz VXFSFCWVWUITEL-LALPHHSUSA-N -1 1 383.517 4.112 20 0 GIADMM Cc1nc(-c2ccc(N3CCC[C@@H]3c3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000178323014 822367091 /nfs/dbraw/zinc/36/70/91/822367091.db2.gz YNFUUNKEJQXWDX-GOSISDBHSA-N -1 1 380.879 4.444 20 0 GIADMM C[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000182830753 822374578 /nfs/dbraw/zinc/37/45/78/822374578.db2.gz RBQGHNDGZQRYJR-INIZCTEOSA-N -1 1 395.484 4.370 20 0 GIADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1NC(=O)c1ccncc1 ZINC000182864738 822381624 /nfs/dbraw/zinc/38/16/24/822381624.db2.gz QJISYSNTRCRUCV-UHFFFAOYSA-N -1 1 381.819 4.254 20 0 GIADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000045370003 822381790 /nfs/dbraw/zinc/38/17/90/822381790.db2.gz NWYFMQOVYYOSJQ-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM COc1ccc(C(=O)CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000182904711 822389628 /nfs/dbraw/zinc/38/96/28/822389628.db2.gz YBADHJSIHRIGQA-UHFFFAOYSA-N -1 1 392.249 4.073 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Br)o2)c1 ZINC000182919311 822392711 /nfs/dbraw/zinc/39/27/11/822392711.db2.gz IELCKWUGQKQQAJ-UHFFFAOYSA-N -1 1 375.016 4.071 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000182925590 822394033 /nfs/dbraw/zinc/39/40/33/822394033.db2.gz MYPDWAHXRYYACR-UHFFFAOYSA-N -1 1 376.037 4.417 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ncccc2C(F)(F)F)c1 ZINC000182931660 822395121 /nfs/dbraw/zinc/39/51/21/822395121.db2.gz XBVIOFQIJJHQPY-UHFFFAOYSA-N -1 1 375.144 4.129 20 0 GIADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c1 ZINC000178802623 822412050 /nfs/dbraw/zinc/41/20/50/822412050.db2.gz CHSOGWIVXYHYFZ-UHFFFAOYSA-N -1 1 386.498 4.180 20 0 GIADMM CC(=O)c1c(C)oc2ncnc([N-]c3nc(CC(=O)c4ccccc4)cs3)c21 ZINC000178862232 822417277 /nfs/dbraw/zinc/41/72/77/822417277.db2.gz TYFWZXODHQREEI-UHFFFAOYSA-N -1 1 392.440 4.359 20 0 GIADMM CCCCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000183067446 822419844 /nfs/dbraw/zinc/41/98/44/822419844.db2.gz JIWKSUWNIRRBTL-UHFFFAOYSA-N -1 1 393.443 4.388 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000179383544 822474630 /nfs/dbraw/zinc/47/46/30/822474630.db2.gz ODPLLDXCSBOIMX-UHFFFAOYSA-N -1 1 385.807 4.155 20 0 GIADMM CNC(=O)c1sc2[n-]c(-c3cc4cc(Cl)cc(C)c4o3)nc(=O)c2c1C ZINC000183441021 822475372 /nfs/dbraw/zinc/47/53/72/822475372.db2.gz UNOXNRLNYXERLT-UHFFFAOYSA-N -1 1 387.848 4.028 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000046469625 822476182 /nfs/dbraw/zinc/47/61/82/822476182.db2.gz XHHWGUFKHCGDIA-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM CCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000046539863 822484076 /nfs/dbraw/zinc/48/40/76/822484076.db2.gz UGVDOIBMZVOCIR-UHFFFAOYSA-N -1 1 380.897 4.013 20 0 GIADMM Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612051 822492143 /nfs/dbraw/zinc/49/21/43/822492143.db2.gz PIEMBTSIPRXDHY-UHFFFAOYSA-N -1 1 389.864 4.030 20 0 GIADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000179673160 822524322 /nfs/dbraw/zinc/52/43/22/822524322.db2.gz HNJYNUWBVVSGCC-CHWSQXEVSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1ccc(NC(=O)C2=CC[C@H](C)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000454738255 822525892 /nfs/dbraw/zinc/52/58/92/822525892.db2.gz LDUKAZONMYOBFP-HNNXBMFYSA-N -1 1 384.501 4.481 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000183797116 822529003 /nfs/dbraw/zinc/52/90/03/822529003.db2.gz DIQWVDXDKLQYOW-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM CCC[C@@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179796677 822554586 /nfs/dbraw/zinc/55/45/86/822554586.db2.gz RPWTVBFFTZNSQW-GFCCVEGCSA-N -1 1 388.386 4.155 20 0 GIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCC1 ZINC000047216639 822555203 /nfs/dbraw/zinc/55/52/03/822555203.db2.gz ZPVYSSATTQMDOK-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179916322 822576475 /nfs/dbraw/zinc/57/64/75/822576475.db2.gz WUASRDUGNGTBJV-RXVVDRJESA-N -1 1 379.431 4.413 20 0 GIADMM C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000184149984 822586175 /nfs/dbraw/zinc/58/61/75/822586175.db2.gz XAHMKJJZGFBVDI-HOTGVXAUSA-N -1 1 387.505 4.140 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1 ZINC000047521792 822586650 /nfs/dbraw/zinc/58/66/50/822586650.db2.gz CBFWEWNAYNXBAI-UHFFFAOYSA-N -1 1 387.505 4.239 20 0 GIADMM CCCc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000047537031 822588564 /nfs/dbraw/zinc/58/85/64/822588564.db2.gz KHGADFNAYYEQKT-UHFFFAOYSA-N -1 1 382.489 4.207 20 0 GIADMM O=C(Nc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1)OCC(F)(F)F ZINC000184831399 822696986 /nfs/dbraw/zinc/69/69/86/822696986.db2.gz DTRQVZUDDCBUBL-UHFFFAOYSA-N -1 1 385.323 4.282 20 0 GIADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180599018 822708697 /nfs/dbraw/zinc/70/86/97/822708697.db2.gz CETJVGNOPYFKJY-UHFFFAOYSA-N -1 1 394.393 4.129 20 0 GIADMM CC[C@H]1CCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455761954 822721792 /nfs/dbraw/zinc/72/17/92/822721792.db2.gz APLGIQLDHFDSQQ-SFHVURJKSA-N -1 1 387.505 4.202 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[C@@H]3C)c2)c1 ZINC000455776237 822724359 /nfs/dbraw/zinc/72/43/59/822724359.db2.gz CBNONYVDNVRPQW-INIZCTEOSA-N -1 1 387.505 4.120 20 0 GIADMM CCCCN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455776868 822724516 /nfs/dbraw/zinc/72/45/16/822724516.db2.gz CLJRABUJWFRDQJ-UHFFFAOYSA-N -1 1 375.494 4.060 20 0 GIADMM CCCCN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455780908 822725432 /nfs/dbraw/zinc/72/54/32/822725432.db2.gz FZLWIOWQFVTMAA-UHFFFAOYSA-N -1 1 389.521 4.368 20 0 GIADMM CCCc1ccccc1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185045578 822728830 /nfs/dbraw/zinc/72/88/30/822728830.db2.gz OKGCEVSEBAXZES-UHFFFAOYSA-N -1 1 379.416 4.146 20 0 GIADMM Cc1ccc(NC(=O)N2CCCC[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455801564 822728899 /nfs/dbraw/zinc/72/88/99/822728899.db2.gz UTRDYEMPGYAJHC-MRXNPFEDSA-N -1 1 387.505 4.202 20 0 GIADMM CCOc1cc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)cc(Cl)c1[O-] ZINC000185380931 822775372 /nfs/dbraw/zinc/77/53/72/822775372.db2.gz GYASBBINUPHJDE-ZDUSSCGKSA-N -1 1 394.924 4.025 20 0 GIADMM CCC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000185406623 822779655 /nfs/dbraw/zinc/77/96/55/822779655.db2.gz MPERSCVTUYJYRX-CYBMUJFWSA-N -1 1 388.386 4.298 20 0 GIADMM CC(C)c1cnc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)s1 ZINC000174391639 822782794 /nfs/dbraw/zinc/78/27/94/822782794.db2.gz UQRBZBHWESDGND-UHFFFAOYSA-N -1 1 393.925 4.480 20 0 GIADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000174410974 822786553 /nfs/dbraw/zinc/78/65/53/822786553.db2.gz ZCEJGRFDEJWLQT-HZPDHXFCSA-N -1 1 390.578 4.049 20 0 GIADMM O=C(COc1ccccc1NCc1cccc(Cl)c1[O-])Nc1cccnc1 ZINC000185635006 822804890 /nfs/dbraw/zinc/80/48/90/822804890.db2.gz JMECHHJAUNDLTI-UHFFFAOYSA-N -1 1 383.835 4.070 20 0 GIADMM CC[C@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000174751188 822832284 /nfs/dbraw/zinc/83/22/84/822832284.db2.gz DSMKPIGYNRZVDR-GOSISDBHSA-N -1 1 378.929 4.300 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1 ZINC000174773842 822835377 /nfs/dbraw/zinc/83/53/77/822835377.db2.gz WAEHQCIVVIEKTG-CQSZACIVSA-N -1 1 388.489 4.266 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185963457 822838253 /nfs/dbraw/zinc/83/82/53/822838253.db2.gz YLXXSHAXQVSEFU-INIZCTEOSA-N -1 1 396.668 4.022 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)cc(Cl)c1[O-] ZINC000456951903 822843799 /nfs/dbraw/zinc/84/37/99/822843799.db2.gz YAXLMIPWOHXCCY-KOMQPUFPSA-N -1 1 389.879 4.471 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457335730 822867929 /nfs/dbraw/zinc/86/79/29/822867929.db2.gz XBHIHFDPPXQTAU-CQSZACIVSA-N -1 1 381.657 4.180 20 0 GIADMM CCOc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1CO ZINC000186422021 822891927 /nfs/dbraw/zinc/89/19/27/822891927.db2.gz WOYLFYDBOHMSHY-SNVBAGLBSA-N -1 1 384.245 4.358 20 0 GIADMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000175300649 822929201 /nfs/dbraw/zinc/92/92/01/822929201.db2.gz OWXJIZIUAIFMPT-UHFFFAOYSA-N -1 1 375.350 4.331 20 0 GIADMM C[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000175301876 822929386 /nfs/dbraw/zinc/92/93/86/822929386.db2.gz PGBLNPWELJJWPM-LBPRGKRZSA-N -1 1 378.929 4.346 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CSCC)c1 ZINC000569537662 822936562 /nfs/dbraw/zinc/93/65/62/822936562.db2.gz LPVXNEOIMPFRLP-UHFFFAOYSA-N -1 1 392.546 4.344 20 0 GIADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c2C1 ZINC000569545246 822937696 /nfs/dbraw/zinc/93/76/96/822937696.db2.gz IUQTWSUWWHMAAD-UHFFFAOYSA-N -1 1 378.453 4.332 20 0 GIADMM CCOc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186707429 822941369 /nfs/dbraw/zinc/94/13/69/822941369.db2.gz PSVCSHJEKJKIJF-UHFFFAOYSA-N -1 1 375.852 4.128 20 0 GIADMM CCOc1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc(Cl)c1[O-] ZINC000569655983 822951014 /nfs/dbraw/zinc/95/10/14/822951014.db2.gz IFJQCAYSEPEZEY-UHFFFAOYSA-N -1 1 377.843 4.431 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186836953 822964432 /nfs/dbraw/zinc/96/44/32/822964432.db2.gz FQZJSLLLUQRIOA-INIZCTEOSA-N -1 1 389.879 4.123 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(-c3nnc(CC)o3)c2)cc(Cl)c1[O-] ZINC000186843360 822965861 /nfs/dbraw/zinc/96/58/61/822965861.db2.gz XXBHENYMMMHGGG-UHFFFAOYSA-N -1 1 387.823 4.309 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000186864526 822970626 /nfs/dbraw/zinc/97/06/26/822970626.db2.gz GPYBCPOHHXHYSS-MEDUHNTESA-N -1 1 381.881 4.108 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[n-]c(=O)c1C ZINC000569824807 822973237 /nfs/dbraw/zinc/97/32/37/822973237.db2.gz FHBYDJGIZQFNIJ-LBPRGKRZSA-N -1 1 379.913 4.443 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000055595466 822984921 /nfs/dbraw/zinc/98/49/21/822984921.db2.gz PDIAXRZWMFSMAZ-UHFFFAOYSA-N -1 1 398.406 4.163 20 0 GIADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000055621057 822988881 /nfs/dbraw/zinc/98/88/81/822988881.db2.gz FWGJIGYEHNBHEM-UHFFFAOYSA-N -1 1 390.770 4.062 20 0 GIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055632441 822989946 /nfs/dbraw/zinc/98/99/46/822989946.db2.gz BWKJFBXAYYXONX-UHFFFAOYSA-N -1 1 382.485 4.169 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055638804 822990627 /nfs/dbraw/zinc/99/06/27/822990627.db2.gz GRYZQIQKSQKXDQ-UHFFFAOYSA-N -1 1 386.395 4.245 20 0 GIADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000186986511 822992780 /nfs/dbraw/zinc/99/27/80/822992780.db2.gz HBSVCHFDYVYJCW-QAPCUYQASA-N -1 1 396.270 4.358 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1C ZINC000055663316 822995897 /nfs/dbraw/zinc/99/58/97/822995897.db2.gz BXZQCWOJDDDMLG-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1cc2cc(Cl)ccc2s1 ZINC000570171426 823012039 /nfs/dbraw/zinc/01/20/39/823012039.db2.gz FJDLEYPURNNEFP-UHFFFAOYSA-N -1 1 381.788 4.097 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(CC(C)C)c2ccccc2Cl)c(=O)[n-]1 ZINC000411087887 823543719 /nfs/dbraw/zinc/54/37/19/823543719.db2.gz SXDFVMDWYZQJGX-UHFFFAOYSA-N -1 1 393.940 4.488 20 0 GIADMM CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000060657951 823550784 /nfs/dbraw/zinc/55/07/84/823550784.db2.gz IALYHHGBCSWQNX-UHFFFAOYSA-N -1 1 398.887 4.152 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c2)c1 ZINC000460982766 823555686 /nfs/dbraw/zinc/55/56/86/823555686.db2.gz UJASAQGLCBHOLW-HXUWFJFHSA-N -1 1 398.528 4.056 20 0 GIADMM CCOc1cc(-c2nc3ccc(CC)cc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000060797557 823558214 /nfs/dbraw/zinc/55/82/14/823558214.db2.gz HDIUUOHSVTUHAY-UHFFFAOYSA-N -1 1 389.249 4.019 20 0 GIADMM Cc1ccc2c(c1)N(C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)CC2 ZINC000124249220 823580912 /nfs/dbraw/zinc/58/09/12/823580912.db2.gz WEWAHEYWZXYFFD-UHFFFAOYSA-N -1 1 384.892 4.159 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccc(C)cc32)cc1 ZINC000124251188 823581085 /nfs/dbraw/zinc/58/10/85/823581085.db2.gz DVQGGXQWYBFGRJ-UHFFFAOYSA-N -1 1 378.501 4.204 20 0 GIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC2(C1)CCCCC2 ZINC000461151451 823588337 /nfs/dbraw/zinc/58/83/37/823588337.db2.gz GIRDPEDDLAXEHR-UHFFFAOYSA-N -1 1 398.528 4.284 20 0 GIADMM CC(C)CONC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000124518116 823602890 /nfs/dbraw/zinc/60/28/90/823602890.db2.gz RMCPDKNUQGFAIH-UHFFFAOYSA-N -1 1 397.258 4.269 20 0 GIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(F)c1 ZINC000461345552 823621386 /nfs/dbraw/zinc/62/13/86/823621386.db2.gz ROKRZXWKDOJKIF-UHFFFAOYSA-N -1 1 383.388 4.494 20 0 GIADMM C[C@@H](CC(F)F)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294957 823643812 /nfs/dbraw/zinc/64/38/12/823643812.db2.gz XORJXBBVAUMSEN-YFKPBYRVSA-N -1 1 387.018 4.147 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000063181415 823654731 /nfs/dbraw/zinc/65/47/31/823654731.db2.gz BPVOKLMNBMPIOQ-UHFFFAOYSA-N -1 1 380.441 4.139 20 0 GIADMM CCCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000461623150 823672133 /nfs/dbraw/zinc/67/21/33/823672133.db2.gz IISUJFODUZIGMB-KRWDZBQOSA-N -1 1 388.533 4.447 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000063452307 823672217 /nfs/dbraw/zinc/67/22/17/823672217.db2.gz YQUBBSZGAINLSP-UHFFFAOYSA-N -1 1 386.395 4.109 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C ZINC000125554049 823684814 /nfs/dbraw/zinc/68/48/14/823684814.db2.gz SWEASJMTRCUZQS-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3Cl)o2)[n-]c1=O ZINC000191479581 823689320 /nfs/dbraw/zinc/68/93/20/823689320.db2.gz LPFFPLRMIZDMGR-ZRDIBKRKSA-N -1 1 384.819 4.421 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000063700830 823690000 /nfs/dbraw/zinc/69/00/00/823690000.db2.gz XDLXHBBCCONHEI-ROUUACIJSA-N -1 1 396.491 4.118 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cc(C2CCCC2)[nH]n1 ZINC000125767958 823706211 /nfs/dbraw/zinc/70/62/11/823706211.db2.gz NEQMAHAMQFSNBQ-UHFFFAOYSA-N -1 1 388.522 4.079 20 0 GIADMM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1sc2ccccc2c1Cl ZINC000574369479 823710936 /nfs/dbraw/zinc/71/09/36/823710936.db2.gz ASKXVUATKHCTSH-UHFFFAOYSA-N -1 1 384.935 4.367 20 0 GIADMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000125882007 823736163 /nfs/dbraw/zinc/73/61/63/823736163.db2.gz MBFFPHUBSLMCGA-UHFFFAOYSA-N -1 1 386.498 4.039 20 0 GIADMM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c(F)ccc([O-])c1F ZINC000574535864 823758177 /nfs/dbraw/zinc/75/81/77/823758177.db2.gz XTESWXFVBBGBNS-UHFFFAOYSA-N -1 1 396.231 4.237 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000064316781 823790055 /nfs/dbraw/zinc/79/00/55/823790055.db2.gz JEFGXZWQZAJTSV-UHFFFAOYSA-N -1 1 398.466 4.194 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1-c1ncco1 ZINC000164730322 823817679 /nfs/dbraw/zinc/81/76/79/823817679.db2.gz NDIXUCQQXIZUHO-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000064476987 823826532 /nfs/dbraw/zinc/82/65/32/823826532.db2.gz HTLOARPLMOMNHA-UHFFFAOYSA-N -1 1 376.425 4.184 20 0 GIADMM CC(C)OCc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000064534624 823838989 /nfs/dbraw/zinc/83/89/89/823838989.db2.gz JSOXPFWAIJSXPM-UHFFFAOYSA-N -1 1 396.487 4.444 20 0 GIADMM O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Br)c([O-])c1 ZINC000126330073 823841464 /nfs/dbraw/zinc/84/14/64/823841464.db2.gz FAQRGZHARFCAQC-UHFFFAOYSA-N -1 1 389.274 4.208 20 0 GIADMM CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000574864650 823846664 /nfs/dbraw/zinc/84/66/64/823846664.db2.gz SAQULHINCVUYMA-UHFFFAOYSA-N -1 1 398.640 4.028 20 0 GIADMM CC[C@@H](C)Oc1ccccc1-c1cccc(-n2[nH]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000574927320 823862038 /nfs/dbraw/zinc/86/20/38/823862038.db2.gz FAFMGOZJTZCMFB-KUHUBIRLSA-N -1 1 380.444 4.344 20 0 GIADMM COc1cc(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000414025097 823891769 /nfs/dbraw/zinc/89/17/69/823891769.db2.gz XZBXLFPACNYJRE-CYBMUJFWSA-N -1 1 397.899 4.028 20 0 GIADMM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000169377378 823910571 /nfs/dbraw/zinc/91/05/71/823910571.db2.gz VRXBAWUATGPDHE-UHFFFAOYSA-N -1 1 380.636 4.146 20 0 GIADMM CCC1=NO[C@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](c2ccccc2)CC4)C1 ZINC000126615709 823912123 /nfs/dbraw/zinc/91/21/23/823912123.db2.gz QYXBMJJUHHTAOG-BBRMVZONSA-N -1 1 379.485 4.485 20 0 GIADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000575102139 823912728 /nfs/dbraw/zinc/91/27/28/823912728.db2.gz RDYOGMVPBULINY-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462303578 823917362 /nfs/dbraw/zinc/91/73/62/823917362.db2.gz AKDHGMKEQYWPSL-DOMZBBRYSA-N -1 1 392.329 4.072 20 0 GIADMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000064952214 823917488 /nfs/dbraw/zinc/91/74/88/823917488.db2.gz QUEATRGFCXHKGU-JTQLQIEISA-N -1 1 380.318 4.109 20 0 GIADMM CCCCOc1ncccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000462380277 823950888 /nfs/dbraw/zinc/95/08/88/823950888.db2.gz KXHXCAOZDDJORS-UHFFFAOYSA-N -1 1 379.464 4.047 20 0 GIADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnc([C@@H]2CCCO2)s1 ZINC000126818990 823958735 /nfs/dbraw/zinc/95/87/35/823958735.db2.gz VLZSLSUXRUXRCH-NSHDSACASA-N -1 1 390.515 4.250 20 0 GIADMM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462421627 823969147 /nfs/dbraw/zinc/96/91/47/823969147.db2.gz QATRYTXQUQRKQH-SSDOTTSWSA-N -1 1 384.281 4.242 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000414381623 823969779 /nfs/dbraw/zinc/96/97/79/823969779.db2.gz IZVLPSNZFGXYSO-UHFFFAOYSA-N -1 1 389.521 4.136 20 0 GIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccoc1Cl ZINC000192410024 823976566 /nfs/dbraw/zinc/97/65/66/823976566.db2.gz HEQRQEYVCYCETA-UHFFFAOYSA-N -1 1 394.811 4.125 20 0 GIADMM Cc1c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)oc2c1C(=O)CCC2 ZINC000170975618 824025377 /nfs/dbraw/zinc/02/53/77/824025377.db2.gz ZIJTUAWCLJXTEL-UHFFFAOYSA-N -1 1 381.457 4.110 20 0 GIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2c(F)cccc2F)n1 ZINC000171027124 824042235 /nfs/dbraw/zinc/04/22/35/824042235.db2.gz HPDQCFRPYXTLNG-UHFFFAOYSA-N -1 1 392.334 4.211 20 0 GIADMM CSCc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000171034028 824043705 /nfs/dbraw/zinc/04/37/05/824043705.db2.gz MXJKQWITUFRZHZ-UHFFFAOYSA-N -1 1 376.532 4.171 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000008287808 209134762 /nfs/dbraw/zinc/13/47/62/209134762.db2.gz BBNVRBZAUVLXKV-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000005204129 209122650 /nfs/dbraw/zinc/12/26/50/209122650.db2.gz COGNKWXVOKFQBI-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000021893195 207242171 /nfs/dbraw/zinc/24/21/71/207242171.db2.gz QEUYPZWYBKTPQI-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCCCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829448026 600835051 /nfs/dbraw/zinc/83/50/51/600835051.db2.gz VPILYRAANSVCMO-LLVKDONJSA-N -1 1 376.265 4.009 20 0 GIADMM Cn1cc([C@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC000187519139 823079872 /nfs/dbraw/zinc/07/98/72/823079872.db2.gz WQBGFJSLCKFHIM-QGZVFWFLSA-N -1 1 380.250 4.451 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(F)c1 ZINC000175981174 823087955 /nfs/dbraw/zinc/08/79/55/823087955.db2.gz XRFWEDGBYVZJIJ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1cscc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000175982137 823088159 /nfs/dbraw/zinc/08/81/59/823088159.db2.gz AXZLIZVBFJDTOA-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM COC(=O)c1cnc(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)[n-]1 ZINC000187599889 823095766 /nfs/dbraw/zinc/09/57/66/823095766.db2.gz VRFWCUGWTLHXEE-MRXNPFEDSA-N -1 1 392.440 4.128 20 0 GIADMM COC(=O)c1c[n-]c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000187599889 823095773 /nfs/dbraw/zinc/09/57/73/823095773.db2.gz VRFWCUGWTLHXEE-MRXNPFEDSA-N -1 1 392.440 4.128 20 0 GIADMM CC(=O)N(c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1)c1ccccc1 ZINC000188144857 823193438 /nfs/dbraw/zinc/19/34/38/823193438.db2.gz LVBZYVSUBDJCDG-UHFFFAOYSA-N -1 1 398.513 4.493 20 0 GIADMM CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CC(C)(C)C1 ZINC000459474588 823199776 /nfs/dbraw/zinc/19/97/76/823199776.db2.gz FPYNFTNPLNVKPT-UHFFFAOYSA-N -1 1 387.505 4.140 20 0 GIADMM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc(Cl)ccc1[O-] ZINC000188363660 823226212 /nfs/dbraw/zinc/22/62/12/823226212.db2.gz KWXIWCKUSZHOIH-UHFFFAOYSA-N -1 1 378.215 4.320 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1C(=O)N(C)C ZINC000176527642 823229521 /nfs/dbraw/zinc/22/95/21/823229521.db2.gz CVPFLVIDWRIUQJ-UHFFFAOYSA-N -1 1 394.496 4.165 20 0 GIADMM CC(C)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000571809228 823237707 /nfs/dbraw/zinc/23/77/07/823237707.db2.gz IFAFCDHWKHVNIR-BZNIZROVSA-N -1 1 393.459 4.214 20 0 GIADMM CC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000121762073 823245238 /nfs/dbraw/zinc/24/52/38/823245238.db2.gz BPDWUALYFLZWIF-WFASDCNBSA-N -1 1 378.929 4.346 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)cc2)oc1C ZINC000057120427 823251045 /nfs/dbraw/zinc/25/10/45/823251045.db2.gz ZQBHEQQAVAGGHA-UHFFFAOYSA-N -1 1 397.431 4.447 20 0 GIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000057122431 823251391 /nfs/dbraw/zinc/25/13/91/823251391.db2.gz VPIATNWDFKIEDP-UHFFFAOYSA-N -1 1 382.869 4.042 20 0 GIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176637099 823254697 /nfs/dbraw/zinc/25/46/97/823254697.db2.gz MUOFTIANLJEBRZ-UHFFFAOYSA-N -1 1 383.473 4.171 20 0 GIADMM COc1ccc(Oc2ccc(CCNC(=O)c3c(F)ccc([O-])c3F)cc2)cc1 ZINC000571959491 823260681 /nfs/dbraw/zinc/26/06/81/823260681.db2.gz BDMJVHDBVUFHAB-UHFFFAOYSA-N -1 1 399.393 4.444 20 0 GIADMM CC(C)(C)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003202899 817422002 /nfs/dbraw/zinc/42/20/02/817422002.db2.gz HNYNOPZKASFIAL-UHFFFAOYSA-N -1 1 388.533 4.432 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1C(=O)NC(C)C ZINC000176675783 823264739 /nfs/dbraw/zinc/26/47/39/823264739.db2.gz KDIYYBJTBYGICH-UHFFFAOYSA-N -1 1 382.485 4.087 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000176698668 823270655 /nfs/dbraw/zinc/27/06/55/823270655.db2.gz CBUKRCIOSQACOX-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c(C)s1 ZINC000176724822 823278321 /nfs/dbraw/zinc/27/83/21/823278321.db2.gz UEDDGHCHSKVVGR-UHFFFAOYSA-N -1 1 392.477 4.279 20 0 GIADMM O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006270429 817672241 /nfs/dbraw/zinc/67/22/41/817672241.db2.gz RKOREYPEFDFFNF-JLHYYAGUSA-N -1 1 384.482 4.201 20 0 GIADMM CCC[C@@H](C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000006429222 817690708 /nfs/dbraw/zinc/69/07/08/817690708.db2.gz OEIXINXNPGHQGV-GOSISDBHSA-N -1 1 393.512 4.463 20 0 GIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000057380966 823285503 /nfs/dbraw/zinc/28/55/03/823285503.db2.gz KGMIMARWQGWWKZ-UHFFFAOYSA-N -1 1 394.924 4.185 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC)c2)cc1 ZINC000007054744 817748838 /nfs/dbraw/zinc/74/88/38/817748838.db2.gz INYHVCBHBCHAFP-INIZCTEOSA-N -1 1 388.533 4.483 20 0 GIADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)[N-]C2=O)cc1C ZINC000007154991 817773947 /nfs/dbraw/zinc/77/39/47/817773947.db2.gz MIPNWVJCNYHDOR-WQRHYEAKSA-N -1 1 375.453 4.480 20 0 GIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000007403712 817831771 /nfs/dbraw/zinc/83/17/71/817831771.db2.gz DHMSNUNKACNOTE-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2s1 ZINC000007505269 817857065 /nfs/dbraw/zinc/85/70/65/817857065.db2.gz NWCJMDXVIKCCDW-UHFFFAOYSA-N -1 1 388.392 4.304 20 0 GIADMM CCc1cc2c(CNc3ccc(NC(=O)C(C)C)cc3)cc(=O)oc2cc1[O-] ZINC000057405958 823291929 /nfs/dbraw/zinc/29/19/29/823291929.db2.gz FWRKELCFTSICGR-UHFFFAOYSA-N -1 1 380.444 4.268 20 0 GIADMM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008033387 817985939 /nfs/dbraw/zinc/98/59/39/817985939.db2.gz ZTDDHSYWEHDDRQ-UHFFFAOYSA-N -1 1 390.480 4.079 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033589 817986624 /nfs/dbraw/zinc/98/66/24/817986624.db2.gz IHXJFYDJQXAXPD-OXQOHEQNSA-N -1 1 386.517 4.104 20 0 GIADMM COc1cc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000460185610 823309520 /nfs/dbraw/zinc/30/95/20/823309520.db2.gz KQNQQHVPSFAYPP-AWEZNQCLSA-N -1 1 391.851 4.173 20 0 GIADMM COc1cc(C(=O)N[C@@H]2CCc3c2cccc3Br)cc(Cl)c1[O-] ZINC000460203986 823316008 /nfs/dbraw/zinc/31/60/08/823316008.db2.gz LCHDHCNFZJMIMA-CQSZACIVSA-N -1 1 396.668 4.234 20 0 GIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012647413 818174146 /nfs/dbraw/zinc/17/41/46/818174146.db2.gz NJYMJQNNRFIQJX-UHFFFAOYSA-N -1 1 399.541 4.251 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(Br)sc2C)cc1Cl ZINC000122191053 823319368 /nfs/dbraw/zinc/31/93/68/823319368.db2.gz INPWVZDRQAPNCU-UHFFFAOYSA-N -1 1 396.715 4.282 20 0 GIADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000013464571 818212761 /nfs/dbraw/zinc/21/27/61/818212761.db2.gz ASNANIRCFBFUGL-UHFFFAOYSA-N -1 1 393.770 4.166 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000014097705 818222217 /nfs/dbraw/zinc/22/22/17/818222217.db2.gz NXUBVUKUPXXSMV-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c(C)c1 ZINC000014254059 818230459 /nfs/dbraw/zinc/23/04/59/818230459.db2.gz CKIAOCYSRNDACR-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)cc1 ZINC000014706694 818260111 /nfs/dbraw/zinc/26/01/11/818260111.db2.gz DHGZROQZBQFDPQ-UHFFFAOYSA-N -1 1 398.509 4.377 20 0 GIADMM COc1cc(-c2noc(-c3oc(C4CC4)nc3C)n2)cc(Br)c1[O-] ZINC000572347865 823325488 /nfs/dbraw/zinc/32/54/88/823325488.db2.gz OJTCBZRBZCUVTJ-UHFFFAOYSA-N -1 1 392.209 4.054 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1C ZINC000015344160 818314690 /nfs/dbraw/zinc/31/46/90/818314690.db2.gz XZKFUGMGYYIYIE-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000015419680 818323993 /nfs/dbraw/zinc/32/39/93/818323993.db2.gz XHCJUMGOTKPUSB-AWEZNQCLSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CC=CCC3)ccc2C)c1 ZINC000015722417 818364981 /nfs/dbraw/zinc/36/49/81/818364981.db2.gz DDACIXPCPWPETM-KRWDZBQOSA-N -1 1 384.501 4.399 20 0 GIADMM C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015796660 818367604 /nfs/dbraw/zinc/36/76/04/818367604.db2.gz RYRIQPUHHGPZNY-CQSZACIVSA-N -1 1 392.908 4.155 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccco3)ccc2C)c1 ZINC000015950423 818379448 /nfs/dbraw/zinc/37/94/48/818379448.db2.gz LHSVZYSEXRGSSU-ZHACJKMWSA-N -1 1 396.468 4.349 20 0 GIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Br)cc1Cl ZINC000016129393 818395785 /nfs/dbraw/zinc/39/57/85/818395785.db2.gz PRXAMPPPKKAEIJ-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000016597329 818457511 /nfs/dbraw/zinc/45/75/11/818457511.db2.gz BGZYCUVWGXXFJV-UHFFFAOYSA-N -1 1 381.505 4.011 20 0 GIADMM COc1ccc(NC(=O)c2ccc(C(C)C)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000189000721 823339935 /nfs/dbraw/zinc/33/99/35/823339935.db2.gz UZRHEXMWFPSTMO-UHFFFAOYSA-N -1 1 396.896 4.096 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000017156198 818501963 /nfs/dbraw/zinc/50/19/63/818501963.db2.gz TUTQEHWFVYYLFR-QGZVFWFLSA-N -1 1 394.544 4.444 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000017156194 818501981 /nfs/dbraw/zinc/50/19/81/818501981.db2.gz TUTQEHWFVYYLFR-KRWDZBQOSA-N -1 1 394.544 4.444 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000017156191 818501995 /nfs/dbraw/zinc/50/19/95/818501995.db2.gz VZDYVULCQNOYJK-QGZVFWFLSA-N -1 1 394.544 4.444 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000017324081 818509774 /nfs/dbraw/zinc/50/97/74/818509774.db2.gz BLHJETNFQBMTJN-UHFFFAOYSA-N -1 1 386.908 4.276 20 0 GIADMM CCOc1ccc(NC(=S)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000057970999 823351606 /nfs/dbraw/zinc/35/16/06/823351606.db2.gz AHSBHIFDJMTUBZ-UHFFFAOYSA-N -1 1 384.288 4.024 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C=CCC3)ccc2C)c1 ZINC000020909469 818639576 /nfs/dbraw/zinc/63/95/76/818639576.db2.gz MWFVGXYWMKMZPP-KRWDZBQOSA-N -1 1 384.501 4.399 20 0 GIADMM CCCN(CCC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000021221257 818665910 /nfs/dbraw/zinc/66/59/10/818665910.db2.gz DQSXNSFOMSFXGZ-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)sc1C ZINC000122411649 823350664 /nfs/dbraw/zinc/35/06/64/823350664.db2.gz YWJIDHZRUVETID-UHFFFAOYSA-N -1 1 385.363 4.342 20 0 GIADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000021939247 818758131 /nfs/dbraw/zinc/75/81/31/818758131.db2.gz SHLTUZJUOFNEND-UHFFFAOYSA-N -1 1 375.852 4.042 20 0 GIADMM CC(C)CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000022513220 818819372 /nfs/dbraw/zinc/81/93/72/818819372.db2.gz XOZVTXLAIZPUJA-OAHLLOKOSA-N -1 1 392.496 4.181 20 0 GIADMM CC(C)=CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000022927858 818877861 /nfs/dbraw/zinc/87/78/61/818877861.db2.gz YDQHMFWKWOPVPB-UHFFFAOYSA-N -1 1 398.406 4.411 20 0 GIADMM CCc1ccccc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000023623281 818966519 /nfs/dbraw/zinc/96/65/19/818966519.db2.gz OYUGHYGNKUKHAS-UHFFFAOYSA-N -1 1 382.489 4.207 20 0 GIADMM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000023709639 818975807 /nfs/dbraw/zinc/97/58/07/818975807.db2.gz BQUDCRYMCZLBSA-UHFFFAOYSA-N -1 1 394.924 4.369 20 0 GIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000410050775 823380063 /nfs/dbraw/zinc/38/00/63/823380063.db2.gz VELVKHKXBHVUBX-UHFFFAOYSA-N -1 1 394.431 4.484 20 0 GIADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1Br ZINC000024578747 819075353 /nfs/dbraw/zinc/07/53/53/819075353.db2.gz JQNAHEXEYJRMBI-UHFFFAOYSA-N -1 1 395.253 4.246 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000460436083 823388773 /nfs/dbraw/zinc/38/87/73/823388773.db2.gz HVEIKFWKUVJXJX-UHFFFAOYSA-N -1 1 380.469 4.137 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1Cl ZINC000460453836 823394697 /nfs/dbraw/zinc/39/46/97/823394697.db2.gz UZIGZOGJVLYUAG-UHFFFAOYSA-N -1 1 380.897 4.397 20 0 GIADMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000122692476 823395762 /nfs/dbraw/zinc/39/57/62/823395762.db2.gz RQUCXUFOJXUHMK-UHFFFAOYSA-N -1 1 388.823 4.158 20 0 GIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(SC(F)F)c3)cc21 ZINC000122785217 823411780 /nfs/dbraw/zinc/41/17/80/823411780.db2.gz VFOAWOYYQZXFPK-UHFFFAOYSA-N -1 1 398.456 4.032 20 0 GIADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000058689735 823432088 /nfs/dbraw/zinc/43/20/88/823432088.db2.gz GHOVTQOJJZQGAE-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)c(C)c2)c1 ZINC000024818319 819881166 /nfs/dbraw/zinc/88/11/66/819881166.db2.gz LYWLHCVMZGAYQZ-UHFFFAOYSA-N -1 1 395.532 4.319 20 0 GIADMM CC(C)CCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025345626 819967166 /nfs/dbraw/zinc/96/71/66/819967166.db2.gz FCANTVTVRMPUKK-QGZVFWFLSA-N -1 1 388.533 4.432 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3ccccc3Cl)n2)n[n-]c1=S ZINC000026090857 820056642 /nfs/dbraw/zinc/05/66/42/820056642.db2.gz NBNSJYXYHBDIFM-UHFFFAOYSA-N -1 1 391.909 4.080 20 0 GIADMM Cc1cc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)nc2ccccc12 ZINC000573139310 823453390 /nfs/dbraw/zinc/45/33/90/823453390.db2.gz ONCZHIIAALSAFW-UHFFFAOYSA-N -1 1 381.395 4.214 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1C ZINC000027362608 820231553 /nfs/dbraw/zinc/23/15/53/820231553.db2.gz WCHOGCBIJRFTRP-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000410323825 823463379 /nfs/dbraw/zinc/46/33/79/823463379.db2.gz FVCKXLVKNDVPDP-UHFFFAOYSA-N -1 1 397.500 4.086 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3C)cc2)cc1C ZINC000027651731 820271423 /nfs/dbraw/zinc/27/14/23/820271423.db2.gz RJSAAOAGIFFNCZ-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM O=S(=O)([N-]c1ccccc1F)c1cc(C(F)(F)F)ccc1Br ZINC000410351024 823470444 /nfs/dbraw/zinc/47/04/44/823470444.db2.gz CJADDVYWZLMCCR-UHFFFAOYSA-N -1 1 398.175 4.408 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c(C)s1 ZINC000123196779 823477232 /nfs/dbraw/zinc/47/72/32/823477232.db2.gz TWGYQAGNIUXXHP-UHFFFAOYSA-N -1 1 375.475 4.056 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)c1C ZINC000029383683 820447784 /nfs/dbraw/zinc/44/77/84/820447784.db2.gz DQCSQWPUZPRPDM-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000029448024 820457094 /nfs/dbraw/zinc/45/70/94/820457094.db2.gz NHFLPIAXIMVCAM-OAHLLOKOSA-N -1 1 392.496 4.196 20 0 GIADMM O=C(Nc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1)c1ccncc1 ZINC000029879613 820538606 /nfs/dbraw/zinc/53/86/06/820538606.db2.gz NXGITIONGUXLME-UHFFFAOYSA-N -1 1 383.407 4.445 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000029997799 820564625 /nfs/dbraw/zinc/56/46/25/820564625.db2.gz CZTJDDGTWZFWIF-ZBFHGGJFSA-N -1 1 388.537 4.043 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000410414962 823490652 /nfs/dbraw/zinc/49/06/52/823490652.db2.gz UEEKXTYKQCEPPA-UHFFFAOYSA-N -1 1 395.406 4.215 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000031069526 820733651 /nfs/dbraw/zinc/73/36/51/820733651.db2.gz QGOZHKLJJSNBTK-UHFFFAOYSA-N -1 1 392.528 4.497 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc(F)c(F)cc1F ZINC000189824939 823502610 /nfs/dbraw/zinc/50/26/10/823502610.db2.gz HUNUPUFZGKEHES-UHFFFAOYSA-N -1 1 383.782 4.452 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000031377017 820799751 /nfs/dbraw/zinc/79/97/51/820799751.db2.gz VYTGTWFYJHKLJU-UHFFFAOYSA-N -1 1 394.924 4.259 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000031376519 820799819 /nfs/dbraw/zinc/79/98/19/820799819.db2.gz VMRFXDYKILTJBS-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000031435217 820810426 /nfs/dbraw/zinc/81/04/26/820810426.db2.gz RWQPBLLGYRBZQU-OAHLLOKOSA-N -1 1 391.500 4.055 20 0 GIADMM CC(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000060211013 823512020 /nfs/dbraw/zinc/51/20/20/823512020.db2.gz AEBIHWMQFYNKIE-UHFFFAOYSA-N -1 1 385.844 4.276 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2CCCC2)cc1 ZINC000031931741 820876681 /nfs/dbraw/zinc/87/66/81/820876681.db2.gz QPSZICNSGGQMEG-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000032064874 820893069 /nfs/dbraw/zinc/89/30/69/820893069.db2.gz JRGAHBMFIWQNIW-AWEZNQCLSA-N -1 1 394.924 4.401 20 0 GIADMM CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000032263117 820905641 /nfs/dbraw/zinc/90/56/41/820905641.db2.gz FDSDBSMTTVBXLY-UHFFFAOYSA-N -1 1 388.533 4.386 20 0 GIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000032332582 820918491 /nfs/dbraw/zinc/91/84/91/820918491.db2.gz NAACWEADOKDPPC-UHFFFAOYSA-N -1 1 398.459 4.293 20 0 GIADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000177718225 823516327 /nfs/dbraw/zinc/51/63/27/823516327.db2.gz CRKYCCGXQNRPTM-UHFFFAOYSA-N -1 1 394.699 4.167 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c2ccccc12 ZINC000032591513 820974401 /nfs/dbraw/zinc/97/44/01/820974401.db2.gz ZCFXQTIVMNWIFW-UHFFFAOYSA-N -1 1 381.457 4.304 20 0 GIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000032592471 820974594 /nfs/dbraw/zinc/97/45/94/820974594.db2.gz GXAOFASYXDCKNA-UHFFFAOYSA-N -1 1 393.390 4.272 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000032597266 820975254 /nfs/dbraw/zinc/97/52/54/820975254.db2.gz HOZHYQKAFOGTGV-UHFFFAOYSA-N -1 1 398.484 4.250 20 0 GIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)=O ZINC000032626975 820979178 /nfs/dbraw/zinc/97/91/78/820979178.db2.gz UWXHRDADAFJOPN-UHFFFAOYSA-N -1 1 388.533 4.089 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000032630375 820980170 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CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460830741 823524547 /nfs/dbraw/zinc/52/45/47/823524547.db2.gz SHCKHARQZIOMSU-UHFFFAOYSA-N -1 1 377.437 4.151 20 0 GIADMM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc2c(c1)CCCC2 ZINC000036760526 821081639 /nfs/dbraw/zinc/08/16/39/821081639.db2.gz RLWZDYSDWGYDJA-UHFFFAOYSA-N -1 1 394.496 4.340 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)ccc1F ZINC000038718410 821099829 /nfs/dbraw/zinc/09/98/29/821099829.db2.gz NBOGETBUMDLSGG-UHFFFAOYSA-N -1 1 387.461 4.311 20 0 GIADMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1Cl ZINC000460839282 823526034 /nfs/dbraw/zinc/52/60/34/823526034.db2.gz LMOVZHYFMMCRCQ-UHFFFAOYSA-N -1 1 383.897 4.289 20 0 GIADMM CCOc1cccc2cc([C@H](C)NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)oc21 ZINC000123722602 823534879 /nfs/dbraw/zinc/53/48/79/823534879.db2.gz DNNIGCAQVWEBDT-LBPRGKRZSA-N -1 1 397.475 4.012 20 0 GIADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000180635225 821377029 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COc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)cc1[N-]S(C)(=O)=O ZINC000182734701 822359629 /nfs/dbraw/zinc/35/96/29/822359629.db2.gz UBHUCXORACEYBO-GXFFZTMASA-N -1 1 384.548 4.166 20 0 GIADMM O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000182872318 822383487 /nfs/dbraw/zinc/38/34/87/822383487.db2.gz ULPUBVUTGNTYHQ-UHFFFAOYSA-N -1 1 378.900 4.239 20 0 GIADMM CCN(CCc1ccccc1)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000045466184 822389040 /nfs/dbraw/zinc/38/90/40/822389040.db2.gz FWMGAYZXLCNLKS-UHFFFAOYSA-N -1 1 394.544 4.397 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000182902847 822389548 /nfs/dbraw/zinc/38/95/48/822389548.db2.gz ZRIZUVSVINXEFE-AWEZNQCLSA-N -1 1 384.320 4.494 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc([C@@H]3CCCO3)n2)c1 ZINC000182915786 822392009 /nfs/dbraw/zinc/39/20/09/822392009.db2.gz KSXHJDKOYSAISJ-LBPRGKRZSA-N -1 1 383.267 4.023 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC000182916208 822392090 /nfs/dbraw/zinc/39/20/90/822392090.db2.gz YVEVEVUEYLNXKY-UHFFFAOYSA-N -1 1 375.144 4.129 20 0 GIADMM Cc1noc(-c2ccccc2C(=O)Nc2cc(C)cc(Br)c2[O-])n1 ZINC000182916978 822392309 /nfs/dbraw/zinc/39/23/09/822392309.db2.gz ZREMTQDAXBZKOH-UHFFFAOYSA-N -1 1 388.221 4.074 20 0 GIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000045788014 822413672 /nfs/dbraw/zinc/41/36/72/822413672.db2.gz NEWVHONGTJMODZ-OAQYLSRUSA-N -1 1 392.480 4.075 20 0 GIADMM COc1ccc([C@@H](NC(=O)c2ccc(Br)c([O-])c2)C2CC2)cc1 ZINC000179145642 822443361 /nfs/dbraw/zinc/44/33/61/822443361.db2.gz XMJGIYAWWYMCEX-KRWDZBQOSA-N -1 1 376.250 4.044 20 0 GIADMM CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1 ZINC000183339468 822461025 /nfs/dbraw/zinc/46/10/25/822461025.db2.gz DGVBEICRZFUKPG-CQSZACIVSA-N -1 1 379.304 4.157 20 0 GIADMM CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])cc1OC ZINC000046621153 822494244 /nfs/dbraw/zinc/49/42/44/822494244.db2.gz NFUWWGQJBBPEQG-LLVKDONJSA-N -1 1 394.265 4.053 20 0 GIADMM O=C(Nc1ccc([O-])c(C(=O)Nc2cccc3[nH]ccc32)c1)OCC(F)(F)F ZINC000179515856 822494801 /nfs/dbraw/zinc/49/48/01/822494801.db2.gz SKOSHEFPAUOAMB-UHFFFAOYSA-N -1 1 393.321 4.237 20 0 GIADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179541359 822500048 /nfs/dbraw/zinc/50/00/48/822500048.db2.gz AUYHRFMLMMNVFT-CHWSQXEVSA-N -1 1 388.414 4.326 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000046690844 822506062 /nfs/dbraw/zinc/50/60/62/822506062.db2.gz MOVAYVCXDLASJY-LJQANCHMSA-N -1 1 385.533 4.193 20 0 GIADMM CCCN(Cc1cccc(Cl)c1[O-])Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000179585632 822507274 /nfs/dbraw/zinc/50/72/74/822507274.db2.gz SMMVHDZXKDNSLG-UHFFFAOYSA-N -1 1 392.286 4.348 20 0 GIADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179610940 822512433 /nfs/dbraw/zinc/51/24/33/822512433.db2.gz ZBNATWWUMRSVDF-NWDGAFQWSA-N -1 1 388.386 4.154 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C1CCCC1 ZINC000047216629 822554961 /nfs/dbraw/zinc/55/49/61/822554961.db2.gz OCWGBYYLDGJSPR-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000047285503 822562230 /nfs/dbraw/zinc/56/22/30/822562230.db2.gz NDSKCCWGOPERQF-UHFFFAOYSA-N -1 1 396.472 4.062 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000179896690 822573147 /nfs/dbraw/zinc/57/31/47/822573147.db2.gz YUPSOXQDAOGXJR-UHFFFAOYSA-N -1 1 389.377 4.238 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000179916238 822576407 /nfs/dbraw/zinc/57/64/07/822576407.db2.gz AAIPGGQOIZZBOF-PZJWPPBQSA-N -1 1 379.431 4.413 20 0 GIADMM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(F)ccc1[O-] ZINC000180031120 822601056 /nfs/dbraw/zinc/60/10/56/822601056.db2.gz KAQVLLRDSFNANV-UHFFFAOYSA-N -1 1 389.814 4.286 20 0 GIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc4ccc(O)cc43)cc2)co1 ZINC000180220004 822641856 /nfs/dbraw/zinc/64/18/56/822641856.db2.gz UWIXWZSFCVVNFX-UHFFFAOYSA-N -1 1 380.425 4.310 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000180285186 822655191 /nfs/dbraw/zinc/65/51/91/822655191.db2.gz LZPMQJDUMDYSGK-UHFFFAOYSA-N -1 1 379.652 4.045 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(Br)c1 ZINC000180286901 822655787 /nfs/dbraw/zinc/65/57/87/822655787.db2.gz AWDZLQUEWNUFIJ-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000180350510 822668154 /nfs/dbraw/zinc/66/81/54/822668154.db2.gz JWHFCZRUPSMBMF-UHFFFAOYSA-N -1 1 379.378 4.232 20 0 GIADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000048655522 822677203 /nfs/dbraw/zinc/67/72/03/822677203.db2.gz JIEKMPLJOJTVPT-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM Cc1nc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c(-c2ccccc2)o1 ZINC000184762051 822687498 /nfs/dbraw/zinc/68/74/98/822687498.db2.gz AZIMMISXFCFPQK-UHFFFAOYSA-N -1 1 376.441 4.345 20 0 GIADMM [O-]c1c(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)ccc2ccccc21 ZINC000184854731 822701075 /nfs/dbraw/zinc/70/10/75/822701075.db2.gz ZMNXMHFJANQGKV-UHFFFAOYSA-N -1 1 387.439 4.095 20 0 GIADMM Cc1c(=O)[n-]c(SCc2cc(F)cc3c2OCOC3)nc1-c1ccccc1 ZINC000184870818 822704384 /nfs/dbraw/zinc/70/43/84/822704384.db2.gz ULKGIBCAQALCSA-UHFFFAOYSA-N -1 1 384.432 4.043 20 0 GIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184876543 822705570 /nfs/dbraw/zinc/70/55/70/822705570.db2.gz CDFDDWDTGZHTAC-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000051286277 822754351 /nfs/dbraw/zinc/75/43/51/822754351.db2.gz VZGHCPVWAVSXNY-KRWDZBQOSA-N -1 1 395.499 4.404 20 0 GIADMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174699112 822825135 /nfs/dbraw/zinc/82/51/35/822825135.db2.gz HNHYGQNNZCNKCZ-UHFFFAOYSA-N -1 1 389.477 4.185 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3CCCC3)c2)c1 ZINC000053333459 822830762 /nfs/dbraw/zinc/83/07/62/822830762.db2.gz VKLQUKCFFOVKPU-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456794460 822831770 /nfs/dbraw/zinc/83/17/70/822831770.db2.gz PUMQJEHWCLSQDE-UHFFFAOYSA-N -1 1 399.441 4.412 20 0 GIADMM COc1cccc(-c2noc(Cn3c(=S)[n-]nc3-c3cccc(C)c3)n2)c1 ZINC000174864646 822848425 /nfs/dbraw/zinc/84/84/25/822848425.db2.gz MDCNICSRBTWPJP-UHFFFAOYSA-N -1 1 379.445 4.023 20 0 GIADMM COc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F ZINC000053819594 822849203 /nfs/dbraw/zinc/84/92/03/822849203.db2.gz HNFWNQKQIORBFA-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM CCOc1ccccc1CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000054143759 822864038 /nfs/dbraw/zinc/86/40/38/822864038.db2.gz WYJZMHWMQSFAAC-UHFFFAOYSA-N -1 1 396.516 4.021 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175094584 822881121 /nfs/dbraw/zinc/88/11/21/822881121.db2.gz KECAJFSUVLTQMO-CYBMUJFWSA-N -1 1 395.484 4.084 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1cc(-c2cccnc2)on1 ZINC000175248071 822913478 /nfs/dbraw/zinc/91/34/78/822913478.db2.gz UJQHMCDPARCZCV-UHFFFAOYSA-N -1 1 380.148 4.030 20 0 GIADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175255405 822915997 /nfs/dbraw/zinc/91/59/97/822915997.db2.gz JKERGPAIYKSCBL-JKSUJKDBSA-N -1 1 390.578 4.097 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCC(COc2ccccc2)CC1 ZINC000055423420 822960469 /nfs/dbraw/zinc/96/04/69/822960469.db2.gz OCTYUPYHEHZIBS-UHFFFAOYSA-N -1 1 390.277 4.086 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc(Cl)c1[O-] ZINC000186841387 822965637 /nfs/dbraw/zinc/96/56/37/822965637.db2.gz QTPFPXMFXKVZAW-LLVKDONJSA-N -1 1 393.871 4.366 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)cc(Cl)c1[O-] ZINC000186865007 822970744 /nfs/dbraw/zinc/97/07/44/822970744.db2.gz VUHAMYBZSQFLCH-CYBMUJFWSA-N -1 1 385.851 4.121 20 0 GIADMM CCOc1cc(-c2nc3sc(CC)cc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000055494661 822971337 /nfs/dbraw/zinc/97/13/37/822971337.db2.gz SVYZXWMYOUOBAG-UHFFFAOYSA-N -1 1 395.278 4.081 20 0 GIADMM CCOc1cc(C(=O)NOCc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000186898330 822976766 /nfs/dbraw/zinc/97/67/66/822976766.db2.gz YKXMFNJYPJMCKM-UHFFFAOYSA-N -1 1 389.757 4.325 20 0 GIADMM O=S(=O)([N-]c1ccccc1F)c1ccc(Br)cc1C(F)(F)F ZINC000055548905 822976861 /nfs/dbraw/zinc/97/68/61/822976861.db2.gz VYKRKDYCQJCHKY-UHFFFAOYSA-N -1 1 398.175 4.408 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1F ZINC000055580174 822981696 /nfs/dbraw/zinc/98/16/96/822981696.db2.gz BEPKUKREVSDABQ-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CC=CCC2)cc1 ZINC000458311002 822981759 /nfs/dbraw/zinc/98/17/59/822981759.db2.gz LKBDJCRVOGNZML-NRFANRHFSA-N -1 1 384.501 4.024 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c2ccccc12 ZINC000055584675 822982326 /nfs/dbraw/zinc/98/23/26/822982326.db2.gz FHSMRYXOZSCIIU-UHFFFAOYSA-N -1 1 398.484 4.244 20 0 GIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000055592063 822983593 /nfs/dbraw/zinc/98/35/93/822983593.db2.gz ZTZNEORDOAQJAR-UHFFFAOYSA-N -1 1 380.897 4.352 20 0 GIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000055592214 822983611 /nfs/dbraw/zinc/98/36/11/822983611.db2.gz OZWUQLAADYEUML-UHFFFAOYSA-N -1 1 384.860 4.183 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000055619895 822988652 /nfs/dbraw/zinc/98/86/52/822988652.db2.gz GOHRHNFOFLUIBI-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000055688118 822999566 /nfs/dbraw/zinc/99/95/66/822999566.db2.gz WQGQLTJSTDJJPA-UHFFFAOYSA-N -1 1 396.468 4.025 20 0 GIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C ZINC000187074718 823006979 /nfs/dbraw/zinc/00/69/79/823006979.db2.gz WYVGSGXYNRIRLD-UHFFFAOYSA-N -1 1 392.235 4.028 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)o1 ZINC000123892172 823549550 /nfs/dbraw/zinc/54/95/50/823549550.db2.gz VATSYKBAPGJUSE-UHFFFAOYSA-N -1 1 386.816 4.255 20 0 GIADMM CCCn1c2ccccc2nc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124033252 823561579 /nfs/dbraw/zinc/56/15/79/823561579.db2.gz HDURARUBLCSNRV-UHFFFAOYSA-N -1 1 377.488 4.247 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc(Cl)c1[O-] ZINC000190654346 823595351 /nfs/dbraw/zinc/59/53/51/823595351.db2.gz UINVGXRPSWCJHR-ZDUSSCGKSA-N -1 1 379.806 4.495 20 0 GIADMM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000461253125 823604969 /nfs/dbraw/zinc/60/49/69/823604969.db2.gz FMABVQLQAFJBRV-KRWDZBQOSA-N -1 1 383.451 4.327 20 0 GIADMM CCc1cccc(C)c1NC(=S)N[N-]C(=O)c1sc(C(C)(C)C)nc1C ZINC000061650619 823607417 /nfs/dbraw/zinc/60/74/17/823607417.db2.gz LTULYYKHZFLQOO-UHFFFAOYSA-N -1 1 390.578 4.251 20 0 GIADMM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000190839540 823614892 /nfs/dbraw/zinc/61/48/92/823614892.db2.gz VVHOJRVZBOJUNQ-KRWDZBQOSA-N -1 1 375.428 4.296 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)cc2nn1C ZINC000461331095 823618807 /nfs/dbraw/zinc/61/88/07/823618807.db2.gz JRRXWRVOAAEOAN-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM Cc1noc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC000062108852 823623084 /nfs/dbraw/zinc/62/30/84/823623084.db2.gz KITJYSNFHDQLFL-UHFFFAOYSA-N -1 1 384.244 4.153 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1I ZINC000190910062 823623118 /nfs/dbraw/zinc/62/31/18/823623118.db2.gz ZWXUXBFEVHVZIE-UHFFFAOYSA-N -1 1 388.592 4.294 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1 ZINC000124890027 823634161 /nfs/dbraw/zinc/63/41/61/823634161.db2.gz MYSVERSVCAPYCX-NUJGCVRESA-N -1 1 384.549 4.486 20 0 GIADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000124898548 823634854 /nfs/dbraw/zinc/63/48/54/823634854.db2.gz FILZQWACYIVBOI-MCIONIFRSA-N -1 1 376.551 4.239 20 0 GIADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc([O-])c(Br)cc2Br)C1 ZINC000412295996 823644027 /nfs/dbraw/zinc/64/40/27/823644027.db2.gz YFUBAULZVBBLJC-HTQZYQBOSA-N -1 1 377.076 4.292 20 0 GIADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000125145621 823654867 /nfs/dbraw/zinc/65/48/67/823654867.db2.gz YJNRMVWQVQWFJW-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)C[C@H]2C)cc1 ZINC000412786529 823682542 /nfs/dbraw/zinc/68/25/42/823682542.db2.gz VPHFRRHHSDQUNQ-MRXNPFEDSA-N -1 1 386.517 4.056 20 0 GIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC(C)(C)C1 ZINC000412810334 823684513 /nfs/dbraw/zinc/68/45/13/823684513.db2.gz AOHDKHGVXCHWRS-UHFFFAOYSA-N -1 1 386.517 4.138 20 0 GIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC(C)(C)C1 ZINC000412838133 823686527 /nfs/dbraw/zinc/68/65/27/823686527.db2.gz JEXPIENZEAACOU-UHFFFAOYSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000125582372 823687290 /nfs/dbraw/zinc/68/72/90/823687290.db2.gz AMRCBCDLJOIBCO-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849471 823701877 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GIADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4nc(C5CC5)oc4c3)cc2)co1 ZINC000175972916 823085876 /nfs/dbraw/zinc/08/58/76/823085876.db2.gz VFNSDGREHNAPJJ-UHFFFAOYSA-N -1 1 395.440 4.469 20 0 GIADMM C/C(=C\C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000056143017 823087452 /nfs/dbraw/zinc/08/74/52/823087452.db2.gz LZQHZMPITYXXBY-ZRDIBKRKSA-N -1 1 392.427 4.060 20 0 GIADMM CCCCO[C@@H]1C[C@@H](N(C)Cc2nc3cc(C(=O)[O-])ccc3n2CC)C1(C)C ZINC000570933749 823109358 /nfs/dbraw/zinc/10/93/58/823109358.db2.gz MMEYPNGCBZIHFZ-RTBURBONSA-N -1 1 387.524 4.170 20 0 GIADMM Cc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000570945826 823110754 /nfs/dbraw/zinc/11/07/54/823110754.db2.gz YPHANLQCTZZQOY-UHFFFAOYSA-N -1 1 394.496 4.285 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000571022517 823121404 /nfs/dbraw/zinc/12/14/04/823121404.db2.gz GMTCNGLFSCKBFU-UHFFFAOYSA-N -1 1 387.911 4.194 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000121117302 823121607 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/nfs/dbraw/zinc/36/38/60/822363860.db2.gz BBXSRKQHYDLGDN-MRXNPFEDSA-N -1 1 396.487 4.075 20 0 GIADMM CCCCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CC1 ZINC000045369230 822381857 /nfs/dbraw/zinc/38/18/57/822381857.db2.gz FDQLXEZHFRCENW-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CCN(CCc1ccccc1)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000045466171 822389033 /nfs/dbraw/zinc/38/90/33/822389033.db2.gz HJFCLNDWPNARMX-UHFFFAOYSA-N -1 1 394.544 4.397 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000045485022 822389602 /nfs/dbraw/zinc/38/96/02/822389602.db2.gz NCIAULBYOXYTJZ-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182915405 822392021 /nfs/dbraw/zinc/39/20/21/822392021.db2.gz WGHKXAXZACHWTN-UHFFFAOYSA-N -1 1 391.221 4.201 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C(F)(F)F)nc2C)c1 ZINC000182923935 822393677 /nfs/dbraw/zinc/39/36/77/822393677.db2.gz XANVWKAMRFRPKO-UHFFFAOYSA-N -1 1 389.171 4.438 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2c(C)c3ccccc3oc2=O)c1 ZINC000182935897 822395988 /nfs/dbraw/zinc/39/59/88/822395988.db2.gz AGXALQYOOAJLJZ-UHFFFAOYSA-N -1 1 388.217 4.130 20 0 GIADMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045874056 822420781 /nfs/dbraw/zinc/42/07/81/822420781.db2.gz XRQLNVWLKWCRDC-LBPRGKRZSA-N -1 1 398.887 4.198 20 0 GIADMM CC(C)(C)c1ccc(C2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cc1 ZINC000454325825 822458285 /nfs/dbraw/zinc/45/82/85/822458285.db2.gz WZFJCHLSYPEQMH-UHFFFAOYSA-N -1 1 389.499 4.240 20 0 GIADMM CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)n1 ZINC000183339451 822461120 /nfs/dbraw/zinc/46/11/20/822461120.db2.gz DGVBEICRZFUKPG-AWEZNQCLSA-N -1 1 379.304 4.157 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccc(Cl)n1 ZINC000183365466 822464346 /nfs/dbraw/zinc/46/43/46/822464346.db2.gz SYVJSSVWYZGQNQ-UHFFFAOYSA-N -1 1 397.843 4.057 20 0 GIADMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(F)c(F)c([O-])c4F)C3)[nH]c2c1 ZINC000183462049 822478755 /nfs/dbraw/zinc/47/87/55/822478755.db2.gz NVWBAWUBKRWYFT-NSHDSACASA-N -1 1 389.377 4.014 20 0 GIADMM Cc1ccsc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046591976 822489439 /nfs/dbraw/zinc/48/94/39/822489439.db2.gz VWFSIWSNAKSPCZ-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000046591975 822489460 /nfs/dbraw/zinc/48/94/60/822489460.db2.gz JWYXBJDRBHRAPT-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM COc1ccc(/C=C(\C)C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1F ZINC000183715269 822515725 /nfs/dbraw/zinc/51/57/25/822515725.db2.gz HJGPUVRJRXGHSS-CSKARUKUSA-N -1 1 397.233 4.006 20 0 GIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(OC(C)C)cc3)cc2)n1 ZINC000179740753 822540358 /nfs/dbraw/zinc/54/03/58/822540358.db2.gz PPKYLYMCNRDIPO-UHFFFAOYSA-N -1 1 383.473 4.040 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000184148881 822585999 /nfs/dbraw/zinc/58/59/99/822585999.db2.gz IWIJRKDTSUQBTN-OXJNMPFZSA-N -1 1 399.516 4.284 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)c1ccc(F)cc1 ZINC000048243061 822648001 /nfs/dbraw/zinc/64/80/01/822648001.db2.gz DAVWOQBYRNBHCF-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1sccc1Br ZINC000048445096 822662578 /nfs/dbraw/zinc/66/25/78/822662578.db2.gz MQVPXKVJUNAQGH-SECBINFHSA-N -1 1 394.743 4.074 20 0 GIADMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180394856 822674986 /nfs/dbraw/zinc/67/49/86/822674986.db2.gz AMTWLWTVYAWAEB-UHFFFAOYSA-N -1 1 383.395 4.009 20 0 GIADMM CCN(Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)=O ZINC000180393616 822674998 /nfs/dbraw/zinc/67/49/98/822674998.db2.gz LVQVWKDLCHKWIT-UHFFFAOYSA-N -1 1 380.366 4.032 20 0 GIADMM CCOC(=O)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1 ZINC000184870599 822704481 /nfs/dbraw/zinc/70/44/81/822704481.db2.gz MTDOKTMXOOKCTK-SFHVURJKSA-N -1 1 380.469 4.142 20 0 GIADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180599963 822708810 /nfs/dbraw/zinc/70/88/10/822708810.db2.gz KVNDONFHQFBJHJ-UHFFFAOYSA-N -1 1 375.306 4.246 20 0 GIADMM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1c(Cl)cc(Cl)cc1Cl ZINC000180607293 822710980 /nfs/dbraw/zinc/71/09/80/822710980.db2.gz JHJQQVOUBKWQEJ-UHFFFAOYSA-N -1 1 386.087 4.174 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C)c2cn(-c3ccccc3)nn2)nc1-c1ccccc1 ZINC000185051517 822729421 /nfs/dbraw/zinc/72/94/21/822729421.db2.gz RZBMTJVWTIDMCJ-OAHLLOKOSA-N -1 1 389.484 4.179 20 0 GIADMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(Cl)c1 ZINC000185055157 822729928 /nfs/dbraw/zinc/72/99/28/822729928.db2.gz LUSDPUOSBVEICX-UHFFFAOYSA-N -1 1 399.903 4.438 20 0 GIADMM CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000185057065 822730250 /nfs/dbraw/zinc/73/02/50/822730250.db2.gz KYEKWOVNRADNGU-HNNXBMFYSA-N -1 1 393.512 4.427 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N(c2ccccc2)C(C)C)nc1-c1ccccc1 ZINC000185058339 822730550 /nfs/dbraw/zinc/73/05/50/822730550.db2.gz BMSYQOGJJNETHZ-UHFFFAOYSA-N -1 1 393.512 4.279 20 0 GIADMM Cc1ccccc1-c1nc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)no1 ZINC000185058139 822730568 /nfs/dbraw/zinc/73/05/68/822730568.db2.gz ZGOJDGJROCNLLJ-UHFFFAOYSA-N -1 1 390.468 4.396 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000174370960 822779641 /nfs/dbraw/zinc/77/96/41/822779641.db2.gz GIXIZGYLSMDGOZ-UWJYYQICSA-N -1 1 398.528 4.201 20 0 GIADMM CCc1cccc(C)c1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185423121 822781734 /nfs/dbraw/zinc/78/17/34/822781734.db2.gz JDCGFLVDQMCXKJ-UHFFFAOYSA-N -1 1 379.416 4.064 20 0 GIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000185654918 822807389 /nfs/dbraw/zinc/80/73/89/822807389.db2.gz NRKQNMDKIDTCMW-DEOSSOPVSA-N -1 1 393.917 4.173 20 0 GIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000185658594 822807523 /nfs/dbraw/zinc/80/75/23/822807523.db2.gz CQAKCCPCHQCEOF-RUZDIDTESA-N -1 1 391.558 4.414 20 0 GIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000185659362 822807699 /nfs/dbraw/zinc/80/76/99/822807699.db2.gz IIMYEUBOWXSUJI-VWLOTQADSA-N -1 1 385.510 4.033 20 0 GIADMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ncoc1-c1ccc(F)cc1 ZINC000185730426 822815527 /nfs/dbraw/zinc/81/55/27/822815527.db2.gz WNNWGGFBQHKCCG-UHFFFAOYSA-N -1 1 398.394 4.314 20 0 GIADMM COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000456634288 822819992 /nfs/dbraw/zinc/81/99/92/822819992.db2.gz CWBLKQGZBIAZQR-INIZCTEOSA-N -1 1 385.851 4.298 20 0 GIADMM CCN(CC)c1nc2sc(C(=O)Nc3ccc([O-])c(F)c3F)cc2s1 ZINC000456781398 822830573 /nfs/dbraw/zinc/83/05/73/822830573.db2.gz CUNLIENPSYCTLV-UHFFFAOYSA-N -1 1 383.445 4.440 20 0 GIADMM CC[C@@]1(C)CCCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000174751198 822832309 /nfs/dbraw/zinc/83/23/09/822832309.db2.gz DSMKPIGYNRZVDR-SFHVURJKSA-N -1 1 378.929 4.300 20 0 GIADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000456844349 822837552 /nfs/dbraw/zinc/83/75/52/822837552.db2.gz SOECOXUIQLVFBS-QZTJIDSGSA-N -1 1 396.535 4.208 20 0 GIADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000456844354 822837610 /nfs/dbraw/zinc/83/76/10/822837610.db2.gz SOECOXUIQLVFBS-ZWKOTPCHSA-N -1 1 396.535 4.208 20 0 GIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185975001 822839928 /nfs/dbraw/zinc/83/99/28/822839928.db2.gz GOZBIBYOPFAZLY-MRXNPFEDSA-N -1 1 396.668 4.022 20 0 GIADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(Br)c([O-])c3)C2)c1 ZINC000456927181 822842263 /nfs/dbraw/zinc/84/22/63/822842263.db2.gz SNCAUYYFDBECDE-SHTZXODSSA-N -1 1 390.277 4.182 20 0 GIADMM CC[C@@H](CC(F)F)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000457444301 822875584 /nfs/dbraw/zinc/87/55/84/822875584.db2.gz FRNAQJGXISQILK-ZDUSSCGKSA-N -1 1 382.432 4.107 20 0 GIADMM CC[C@H](CC(F)F)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000457451868 822876397 /nfs/dbraw/zinc/87/63/97/822876397.db2.gz RUIJNDKIRJWDFX-CQSZACIVSA-N -1 1 396.459 4.416 20 0 GIADMM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186402300 822888692 /nfs/dbraw/zinc/88/86/92/822888692.db2.gz CCUFJIJJEUKXLS-SNVBAGLBSA-N -1 1 393.256 4.359 20 0 GIADMM CSc1nc(C)c(CCC(=O)OCc2ccc(-c3ccccc3)cc2)c(=O)[n-]1 ZINC000054667570 822903283 /nfs/dbraw/zinc/90/32/83/822903283.db2.gz FZKXXDMIVWEGAC-UHFFFAOYSA-N -1 1 394.496 4.143 20 0 GIADMM CCn1c(CN2CCC(Cc3cccc(F)c3)CC2)nc2cc(C(=O)[O-])ccc21 ZINC000569371197 822912375 /nfs/dbraw/zinc/91/23/75/822912375.db2.gz WEAFNIQWJLANRF-UHFFFAOYSA-N -1 1 395.478 4.348 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc(Cl)c1[O-] ZINC000186620656 822924969 /nfs/dbraw/zinc/92/49/69/822924969.db2.gz CVTITHITURWFJS-UHFFFAOYSA-N -1 1 388.851 4.354 20 0 GIADMM COC(C)(C)c1nc(C)c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)s1 ZINC000569535848 822936286 /nfs/dbraw/zinc/93/62/86/822936286.db2.gz UANNTPUZOWSVGB-UHFFFAOYSA-N -1 1 396.925 4.112 20 0 GIADMM O=C(Nc1ccc(C(=O)N2CCCCCCC2)c([O-])c1)c1cc(F)cc(F)c1 ZINC000055110375 822939100 /nfs/dbraw/zinc/93/91/00/822939100.db2.gz SJJQXQWOTFAHBW-UHFFFAOYSA-N -1 1 388.414 4.329 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000055184876 822944360 /nfs/dbraw/zinc/94/43/60/822944360.db2.gz IMABPTYDCNGSIC-UHFFFAOYSA-N -1 1 382.416 4.035 20 0 GIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000569641414 822948869 /nfs/dbraw/zinc/94/88/69/822948869.db2.gz LOFUPQAAEKDTQD-VQTJNVASSA-N -1 1 398.528 4.138 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000186764928 822951583 /nfs/dbraw/zinc/95/15/83/822951583.db2.gz RFCRMAKVVFNMIU-WMZOPIPTSA-N -1 1 375.852 4.094 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000186781171 822954502 /nfs/dbraw/zinc/95/45/02/822954502.db2.gz KPMIUOCCFRGNEK-QGZVFWFLSA-N -1 1 396.270 4.311 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc(Cl)c1[O-] ZINC000186807146 822958653 /nfs/dbraw/zinc/95/86/53/822958653.db2.gz UADFYUBMFRJZQQ-CQSZACIVSA-N -1 1 380.897 4.359 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000175500543 822984564 /nfs/dbraw/zinc/98/45/64/822984564.db2.gz FXDQMNXUBGMWMO-UHFFFAOYSA-N -1 1 381.398 4.123 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000055595407 822984943 /nfs/dbraw/zinc/98/49/43/822984943.db2.gz GKZSQZUMINITHW-UHFFFAOYSA-N -1 1 378.881 4.106 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000055595566 822985282 /nfs/dbraw/zinc/98/52/82/822985282.db2.gz LEDPTZPEACHHQN-UHFFFAOYSA-N -1 1 386.517 4.442 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000055601626 822986132 /nfs/dbraw/zinc/98/61/32/822986132.db2.gz AGVGYWYGSGDUNJ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(Br)ccc2O)cc(Cl)c1[O-] ZINC000186961017 822987393 /nfs/dbraw/zinc/98/73/93/822987393.db2.gz ZPMGIEPTAQSXLS-UHFFFAOYSA-N -1 1 386.629 4.165 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000055633949 822990183 /nfs/dbraw/zinc/99/01/83/822990183.db2.gz JZBRECAXMQDVPE-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000186978113 822991053 /nfs/dbraw/zinc/99/10/53/822991053.db2.gz GDQLFHUWFJYQSO-UHFFFAOYSA-N -1 1 398.887 4.069 20 0 GIADMM O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000055652340 822993550 /nfs/dbraw/zinc/99/35/50/822993550.db2.gz BCKOMGXEBFYZRW-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000187062094 823005497 /nfs/dbraw/zinc/00/54/97/823005497.db2.gz FNSRVRAWXWFUAA-UHFFFAOYSA-N -1 1 384.295 4.189 20 0 GIADMM C[C@@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)[C@@H](c2ccco2)C1 ZINC000175663499 823015379 /nfs/dbraw/zinc/01/53/79/823015379.db2.gz BTHSENWNUGFTSQ-CHWSQXEVSA-N -1 1 388.518 4.262 20 0 GIADMM CC1CCC(OC2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)CC2)CC1 ZINC000570403827 823033235 /nfs/dbraw/zinc/03/32/35/823033235.db2.gz VHOQZQYZUQCMQB-UHFFFAOYSA-N -1 1 395.927 4.477 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000055752740 823037017 /nfs/dbraw/zinc/03/70/17/823037017.db2.gz GTWSVVPXZKASGG-UHFFFAOYSA-N -1 1 394.858 4.329 20 0 GIADMM CCOc1cc(C(=O)NNc2ccccc2OC(F)(F)F)cc(Cl)c1[O-] ZINC000190198518 823549843 /nfs/dbraw/zinc/54/98/43/823549843.db2.gz ATJBSNPZXMHVSD-UHFFFAOYSA-N -1 1 390.745 4.100 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1C ZINC000060795031 823558011 /nfs/dbraw/zinc/55/80/11/823558011.db2.gz FBYQIIZPFCLVFF-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1ccc(NC(=O)[C@H](C)CC(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000411424729 823572784 /nfs/dbraw/zinc/57/27/84/823572784.db2.gz KZIWUNRXVVGVAO-CYBMUJFWSA-N -1 1 382.432 4.026 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(C(F)(F)F)s1 ZINC000461108770 823579001 /nfs/dbraw/zinc/57/90/01/823579001.db2.gz AMEQDMWRINFPJQ-UHFFFAOYSA-N -1 1 397.350 4.382 20 0 GIADMM CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000061196984 823583861 /nfs/dbraw/zinc/58/38/61/823583861.db2.gz KJWXYOTYUKTHIC-UHFFFAOYSA-N -1 1 380.897 4.059 20 0 GIADMM Cc1ccc(-c2nc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)co2)cc1 ZINC000124439282 823596800 /nfs/dbraw/zinc/59/68/00/823596800.db2.gz MAQFZTMNAOXMQH-UHFFFAOYSA-N -1 1 376.456 4.451 20 0 GIADMM COc1ccc(Cl)c(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000061430996 823596947 /nfs/dbraw/zinc/59/69/47/823596947.db2.gz ZLKWGAYNUOBKOQ-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461332634 823619021 /nfs/dbraw/zinc/61/90/21/823619021.db2.gz LEXMXJGHHPEUDJ-XKGZKEIXSA-N -1 1 398.528 4.186 20 0 GIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000461418220 823632417 /nfs/dbraw/zinc/63/24/17/823632417.db2.gz IYIGACUFCHBDEM-UHFFFAOYSA-N -1 1 388.533 4.246 20 0 GIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000461421219 823632978 /nfs/dbraw/zinc/63/29/78/823632978.db2.gz GWRLFJVLMGQJMS-OAHLLOKOSA-N -1 1 392.496 4.277 20 0 GIADMM CCCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000461421217 823632989 /nfs/dbraw/zinc/63/29/89/823632989.db2.gz GWRLFJVLMGQJMS-HNNXBMFYSA-N -1 1 392.496 4.277 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)C(C1CC1)C1CC1 ZINC000412288341 823643218 /nfs/dbraw/zinc/64/32/18/823643218.db2.gz JNHUHLOZEBCNJR-UHFFFAOYSA-N -1 1 389.087 4.292 20 0 GIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1OC ZINC000191198153 823658625 /nfs/dbraw/zinc/65/86/25/823658625.db2.gz XMEGCQQCVDSZCG-UHFFFAOYSA-N -1 1 393.827 4.267 20 0 GIADMM O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000063543504 823678558 /nfs/dbraw/zinc/67/85/58/823678558.db2.gz FRENKQUEWAEKHU-IBGZPJMESA-N -1 1 383.350 4.207 20 0 GIADMM CCCS(=O)(=O)Nc1cccc(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000191410077 823681963 /nfs/dbraw/zinc/68/19/63/823681963.db2.gz OBRYITUSXWBJJT-UHFFFAOYSA-N -1 1 386.876 4.257 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c2ccccc12 ZINC000063849649 823701934 /nfs/dbraw/zinc/70/19/34/823701934.db2.gz JZHJQJXNDDIYTD-UHFFFAOYSA-N -1 1 395.440 4.008 20 0 GIADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000163385078 823705579 /nfs/dbraw/zinc/70/55/79/823705579.db2.gz DUJPFMGBYBYIGP-NEPJUHHUSA-N -1 1 392.329 4.254 20 0 GIADMM CCCCc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)n[nH]1 ZINC000064078708 823743330 /nfs/dbraw/zinc/74/33/30/823743330.db2.gz NYIBPGJNJGNUJA-UHFFFAOYSA-N -1 1 384.509 4.011 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C(C)C)cc2C[C@H]1C ZINC000125928996 823746565 /nfs/dbraw/zinc/74/65/65/823746565.db2.gz ZHSMSMUAFBDLQR-OAHLLOKOSA-N -1 1 386.517 4.217 20 0 GIADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Br)c1 ZINC000461905582 823747933 /nfs/dbraw/zinc/74/79/33/823747933.db2.gz UDTKHTWZUXLDMG-NSHDSACASA-N -1 1 386.249 4.287 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)ccc1F ZINC000191803559 823773993 /nfs/dbraw/zinc/77/39/93/823773993.db2.gz OEVACMXZESWGJS-UHFFFAOYSA-N -1 1 395.214 4.031 20 0 GIADMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1 ZINC000574613984 823781903 /nfs/dbraw/zinc/78/19/03/823781903.db2.gz ZVNQPZYARCAKJH-UHFFFAOYSA-N -1 1 380.469 4.388 20 0 GIADMM CC[C@H](C)Oc1ccccc1-c1cccc(-n2[nH]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000574927319 823861929 /nfs/dbraw/zinc/86/19/29/823861929.db2.gz FAFMGOZJTZCMFB-IFXJQAMLSA-N -1 1 380.444 4.344 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2sc(C)cc2Br)[n-]c1=O ZINC000414084404 823905068 /nfs/dbraw/zinc/90/50/68/823905068.db2.gz XCYJAFPOCQIBIW-YVMONPNESA-N -1 1 383.267 4.052 20 0 GIADMM COc1ccc(Cl)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000064880522 823905941 /nfs/dbraw/zinc/90/59/41/823905941.db2.gz BAZKBYAIFGNFCM-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM CCC1=NO[C@@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](c2ccccc2)CC4)C1 ZINC000126615959 823912270 /nfs/dbraw/zinc/91/22/70/823912270.db2.gz QYXBMJJUHHTAOG-XJKSGUPXSA-N -1 1 379.485 4.485 20 0 GIADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937900 823915211 /nfs/dbraw/zinc/91/52/11/823915211.db2.gz UXAOJJDOGPERJL-UHFFFAOYSA-N -1 1 399.419 4.285 20 0 GIADMM CC1(C)CN(CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000575188336 823934121 /nfs/dbraw/zinc/93/41/21/823934121.db2.gz UMIIFXDOTZNDJR-AWEZNQCLSA-N -1 1 379.806 4.327 20 0 GIADMM CCCCCc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462362381 823941272 /nfs/dbraw/zinc/94/12/72/823941272.db2.gz QGBCJGBPCLIICP-UHFFFAOYSA-N -1 1 398.528 4.055 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(F)cc2)cc1 ZINC000065160490 823953836 /nfs/dbraw/zinc/95/38/36/823953836.db2.gz JMUJIUPQPICNNR-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM CCOc1cc(C(=O)NCC2(c3ccc(F)cc3F)CC2)cc(Cl)c1[O-] ZINC000575378226 823965974 /nfs/dbraw/zinc/96/59/74/823965974.db2.gz IWNJJOAMMWFDML-UHFFFAOYSA-N -1 1 381.806 4.184 20 0 GIADMM CC[C@@H](Cc1ccccc1)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000170810827 823977569 /nfs/dbraw/zinc/97/75/69/823977569.db2.gz CGLDKXIDACKIGH-HNNXBMFYSA-N -1 1 386.546 4.197 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)c3ccccc32)cc1 ZINC000126941203 823985706 /nfs/dbraw/zinc/98/57/06/823985706.db2.gz XDNPTRHIAPUMEB-OAHLLOKOSA-N -1 1 378.501 4.457 20 0 GIADMM CC(C)(C)c1nnc(C(=O)Nc2c([O-])cc(Br)cc2Cl)s1 ZINC000575870706 824016560 /nfs/dbraw/zinc/01/65/60/824016560.db2.gz JVKDQQIJYBXXFE-UHFFFAOYSA-N -1 1 390.690 4.209 20 0 GIADMM O=C([O-])CCCCCNC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000414627895 824018697 /nfs/dbraw/zinc/01/86/97/824018697.db2.gz NVSPDRWQIODTRH-INIZCTEOSA-N -1 1 392.887 4.098 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN2CCC(C(=O)[O-])CC2)c1 ZINC000414638959 824020304 /nfs/dbraw/zinc/02/03/04/824020304.db2.gz PEYHEUDMQVYVFB-UHFFFAOYSA-N -1 1 389.879 4.224 20 0 GIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000005204117 209122901 /nfs/dbraw/zinc/12/29/01/209122901.db2.gz RTTJMJKFRRLDJU-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000005204118 209122716 /nfs/dbraw/zinc/12/27/16/209122716.db2.gz SNZVFJZSNBVYBH-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000004879263 209121275 /nfs/dbraw/zinc/12/12/75/209121275.db2.gz ROXAAVWUKWZTOH-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=S(=O)([N-][C@@H](c1ccccc1)c1ccccn1)c1c(Cl)cccc1Cl ZINC000023743921 207282427 /nfs/dbraw/zinc/28/24/27/207282427.db2.gz KIOMNUJEQDTCHL-KRWDZBQOSA-N -1 1 393.295 4.456 20 0 GIADMM O=S(=O)([N-]c1cccc(Br)c1)c1cccc(OC(F)(F)F)c1 ZINC000024222297 207289276 /nfs/dbraw/zinc/28/92/76/207289276.db2.gz BQAOOYVRXMHEQM-UHFFFAOYSA-N -1 1 396.184 4.149 20 0 GIADMM Cc1sc2[nH]c(CN(CCC(=O)[O-])C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000738487224 600395402 /nfs/dbraw/zinc/39/54/02/600395402.db2.gz SUARIKAXUDYTJU-UHFFFAOYSA-N -1 1 399.516 4.366 20 0 GIADMM CC(C)(C)[C@@H](NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1cccs1 ZINC000570555381 823054020 /nfs/dbraw/zinc/05/40/20/823054020.db2.gz YKJISVRFVCOOMW-ZDUSSCGKSA-N -1 1 387.477 4.177 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000187452745 823066525 /nfs/dbraw/zinc/06/65/25/823066525.db2.gz LDLYMBJUUCEBSS-AREMUKBSSA-N -1 1 399.537 4.358 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000187454545 823066775 /nfs/dbraw/zinc/06/67/75/823066775.db2.gz UCRPOJQCDVNPGT-XMMPIXPASA-N -1 1 379.547 4.097 20 0 GIADMM CCC(CC)[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccs1 ZINC000056008203 823078437 /nfs/dbraw/zinc/07/84/37/823078437.db2.gz PRCFSQQBAYVWNN-QGZVFWFLSA-N -1 1 393.578 4.088 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000120899092 823083863 /nfs/dbraw/zinc/08/38/63/823083863.db2.gz WNOHWIOCZHHBHP-INIZCTEOSA-N -1 1 375.266 4.307 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1F ZINC000187623259 823099533 /nfs/dbraw/zinc/09/95/33/823099533.db2.gz DNJPAXHMPLUORW-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM CCOCCOCc1cccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)c1 ZINC000056188915 823099793 /nfs/dbraw/zinc/09/97/93/823099793.db2.gz IQVNABSREZDNQH-UHFFFAOYSA-N -1 1 397.471 4.226 20 0 GIADMM CCCCO[C@H]1C[C@H](N(C)Cc2nc3cc(C(=O)[O-])ccc3n2CC)C1(C)C ZINC000570933747 823109414 /nfs/dbraw/zinc/10/94/14/823109414.db2.gz MMEYPNGCBZIHFZ-OALUTQOASA-N -1 1 387.524 4.170 20 0 GIADMM O=C(Nc1ccsc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000187847025 823145431 /nfs/dbraw/zinc/14/54/31/823145431.db2.gz KCWFTWXGMOVWQC-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1 ZINC000176255355 823164153 /nfs/dbraw/zinc/16/41/53/823164153.db2.gz OPOFAQYHWYERQL-MRXNPFEDSA-N -1 1 386.517 4.056 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)c3ccncc3)c2)c1 ZINC000176466620 823213784 /nfs/dbraw/zinc/21/37/84/823213784.db2.gz HQPJFCVWVTUOCU-UHFFFAOYSA-N -1 1 395.484 4.006 20 0 GIADMM O=C(N[C@@H]1CCc2c1cccc2Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056901098 823230055 /nfs/dbraw/zinc/23/00/55/823230055.db2.gz VXGOJFWEMWKKBT-HXUWFJFHSA-N -1 1 398.890 4.337 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC000176533480 823230868 /nfs/dbraw/zinc/23/08/68/823230868.db2.gz DYKGIQVYDOFYLR-LPHOPBHVSA-N -1 1 392.528 4.321 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@@H](C)C3CC3)C3CC3)c2)cc1 ZINC000056935011 823232680 /nfs/dbraw/zinc/23/26/80/823232680.db2.gz BFDSGGMRNLCAOE-INIZCTEOSA-N -1 1 398.528 4.199 20 0 GIADMM O=C([O-])[C@H]1CCCN([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000003746775 817494244 /nfs/dbraw/zinc/49/42/44/817494244.db2.gz ZZOQQKDLXCCRCC-MAUKXSAKSA-N -1 1 392.268 4.474 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Sc3ncccn3)cc2C)c1 ZINC000176700044 823271007 /nfs/dbraw/zinc/27/10/07/823271007.db2.gz CMIAWNNAQPTALA-UHFFFAOYSA-N -1 1 389.477 4.185 20 0 GIADMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000005126938 817552847 /nfs/dbraw/zinc/55/28/47/817552847.db2.gz YNZCRFSQXQEBPT-SFHVURJKSA-N -1 1 397.500 4.141 20 0 GIADMM CCOc1ccc(Nc2nc([O-])c(CC(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000005126941 817552983 /nfs/dbraw/zinc/55/29/83/817552983.db2.gz YNZCRFSQXQEBPT-GOSISDBHSA-N -1 1 397.500 4.141 20 0 GIADMM CCOc1ccc(NC(=O)Cc2sc(Nc3cc(C)ccc3C)nc2[O-])cc1 ZINC000005673548 817607934 /nfs/dbraw/zinc/60/79/34/817607934.db2.gz CTIIFGOZWAQLSI-GOSISDBHSA-N -1 1 397.500 4.141 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007054692 817748072 /nfs/dbraw/zinc/74/80/72/817748072.db2.gz WCHGRIAWVFFLMM-UHFFFAOYSA-N -1 1 382.485 4.123 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000007054710 817748743 /nfs/dbraw/zinc/74/87/43/817748743.db2.gz UIKZCHCLZPGVMK-UHFFFAOYSA-N -1 1 388.533 4.203 20 0 GIADMM COc1cc(C(=O)N[C@@H](C)Cc2ccccc2Br)cc(Cl)c1[O-] ZINC000460122668 823288928 /nfs/dbraw/zinc/28/89/28/823288928.db2.gz DESVQUDSKDIBPJ-JTQLQIEISA-N -1 1 398.684 4.178 20 0 GIADMM CCCCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007523268 817861348 /nfs/dbraw/zinc/86/13/48/817861348.db2.gz GKDSZKBGXUNTMG-UHFFFAOYSA-N -1 1 397.953 4.227 20 0 GIADMM Cn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000007815467 817923208 /nfs/dbraw/zinc/92/32/08/817923208.db2.gz YHURKVGKBXTXQB-UHFFFAOYSA-N -1 1 381.501 4.460 20 0 GIADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000008181814 818014081 /nfs/dbraw/zinc/01/40/81/818014081.db2.gz VCCCUCUHHPGEFA-HNNXBMFYSA-N -1 1 398.459 4.118 20 0 GIADMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC000008206692 818017880 /nfs/dbraw/zinc/01/78/80/818017880.db2.gz IUEBRSMQWBANAP-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1cc2c(COC(=O)CSc3ccc(F)cc3)cc(=O)oc2cc1[O-] ZINC000057531909 823307432 /nfs/dbraw/zinc/30/74/32/823307432.db2.gz SCEDPQSWFQMOPN-UHFFFAOYSA-N -1 1 388.416 4.036 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000057557657 823309818 /nfs/dbraw/zinc/30/98/18/823309818.db2.gz FNLNYIUSIKFXTQ-UHFFFAOYSA-N -1 1 391.500 4.104 20 0 GIADMM COc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000460196198 823312743 /nfs/dbraw/zinc/31/27/43/823312743.db2.gz KTCGSQAQCAAYNI-CYBMUJFWSA-N -1 1 395.286 4.106 20 0 GIADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl ZINC000013340210 818210018 /nfs/dbraw/zinc/21/00/18/818210018.db2.gz PHURRZZLEYZEPL-UHFFFAOYSA-N -1 1 394.663 4.454 20 0 GIADMM Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013340394 818210172 /nfs/dbraw/zinc/21/01/72/818210172.db2.gz ZBINEUZOGZEHHW-UHFFFAOYSA-N -1 1 394.663 4.454 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)cc1C ZINC000014254056 818230314 /nfs/dbraw/zinc/23/03/14/818230314.db2.gz APMZPARGOHPPTE-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000014253860 818230592 /nfs/dbraw/zinc/23/05/92/818230592.db2.gz QRQRTMBCTWHNOX-MRXNPFEDSA-N -1 1 386.517 4.237 20 0 GIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000188906516 823326294 /nfs/dbraw/zinc/32/62/94/823326294.db2.gz FENOXZNHMOQTGK-GFCCVEGCSA-N -1 1 387.860 4.002 20 0 GIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C)c1 ZINC000122221009 823323659 /nfs/dbraw/zinc/32/36/59/823323659.db2.gz OKYUZQDKPWSHPM-UHFFFAOYSA-N -1 1 396.468 4.304 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1 ZINC000014713366 818261460 /nfs/dbraw/zinc/26/14/60/818261460.db2.gz UZFGTXUVWLCOHO-UHFFFAOYSA-N -1 1 387.530 4.496 20 0 GIADMM O=S(=O)([N-]c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1Cl ZINC000057748480 823328071 /nfs/dbraw/zinc/32/80/71/823328071.db2.gz UZOWJKNKHVCHNN-UHFFFAOYSA-N -1 1 383.860 4.480 20 0 GIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC000015352126 818315813 /nfs/dbraw/zinc/31/58/13/818315813.db2.gz FLFNLDRBICSRNM-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016598189 818458238 /nfs/dbraw/zinc/45/82/38/818458238.db2.gz LEFPAVFJSAXUFJ-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000016642358 818462612 /nfs/dbraw/zinc/46/26/12/818462612.db2.gz WMLDKKUYAVIDDT-AWEZNQCLSA-N -1 1 392.908 4.013 20 0 GIADMM CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000016772113 818476619 /nfs/dbraw/zinc/47/66/19/818476619.db2.gz PPUGEZDKAZFAPR-UHFFFAOYSA-N -1 1 383.473 4.263 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1ccc(Cl)cc1Cl ZINC000017298119 818505749 /nfs/dbraw/zinc/50/57/49/818505749.db2.gz FHFJFRJOIGCZRN-UHFFFAOYSA-N -1 1 399.328 4.292 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1 ZINC000017320017 818509450 /nfs/dbraw/zinc/50/94/50/818509450.db2.gz GPGJXWXJIIGCDW-UHFFFAOYSA-N -1 1 379.528 4.169 20 0 GIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000189056535 823349672 /nfs/dbraw/zinc/34/96/72/823349672.db2.gz RRMLCFXSQYZEDN-GFCCVEGCSA-N -1 1 387.860 4.002 20 0 GIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)nc1 ZINC000021877226 818750950 /nfs/dbraw/zinc/75/09/50/818750950.db2.gz SUFXBMNXDQEGRL-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCCOc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000022355455 818795938 /nfs/dbraw/zinc/79/59/38/818795938.db2.gz USAYBJJUUSOLOZ-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM Fc1cc2c(cc1F)N(Cn1c(=S)[n-]nc1Cc1cccs1)CCC2 ZINC000058205893 823368717 /nfs/dbraw/zinc/36/87/17/823368717.db2.gz BZMFKBJGMKEIRG-UHFFFAOYSA-N -1 1 378.473 4.281 20 0 GIADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000023055752 818894007 /nfs/dbraw/zinc/89/40/07/818894007.db2.gz ZTXRVGICJXITKS-UHFFFAOYSA-N -1 1 386.517 4.442 20 0 GIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)c2)cs1 ZINC000023873803 818987962 /nfs/dbraw/zinc/98/79/62/818987962.db2.gz GFXZMJQLTLAFMJ-UHFFFAOYSA-N -1 1 398.465 4.026 20 0 GIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCC1 ZINC000058365857 823383286 /nfs/dbraw/zinc/38/32/86/823383286.db2.gz GQRAUBPBAPZGKK-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM Cc1c(S(=O)(=O)[N-]c2cc(C)ccc2F)cnn1-c1ccc(Cl)cc1 ZINC000460445774 823391643 /nfs/dbraw/zinc/39/16/43/823391643.db2.gz IAVADEMCPSLGMO-UHFFFAOYSA-N -1 1 379.844 4.082 20 0 GIADMM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000572786606 823398481 /nfs/dbraw/zinc/39/84/81/823398481.db2.gz IJCWBUSTMMVKDT-DNVCBOLYSA-N -1 1 384.501 4.337 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000177197168 823396404 /nfs/dbraw/zinc/39/64/04/823396404.db2.gz GWOHBTUJRDQUQI-CVEARBPZSA-N -1 1 380.517 4.225 20 0 GIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3cccnc32)cc(Cl)c1Cl ZINC000058488618 823398917 /nfs/dbraw/zinc/39/89/17/823398917.db2.gz DQSRPDCBCSVKOO-UHFFFAOYSA-N -1 1 397.239 4.041 20 0 GIADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000122722817 823400644 /nfs/dbraw/zinc/40/06/44/823400644.db2.gz XCTKGWZAWZXMPI-UHFFFAOYSA-N -1 1 388.876 4.277 20 0 GIADMM CCC[C@@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CCO1 ZINC000572906925 823417804 /nfs/dbraw/zinc/41/78/04/823417804.db2.gz VDMPOBUKLLQZMT-MWLCHTKSSA-N -1 1 376.678 4.342 20 0 GIADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000122821306 823418026 /nfs/dbraw/zinc/41/80/26/823418026.db2.gz MULBYMPXRZUJQE-HSZRJFAPSA-N -1 1 379.890 4.031 20 0 GIADMM O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2N1 ZINC000122927297 823435212 /nfs/dbraw/zinc/43/52/12/823435212.db2.gz QEQZLVDSJBWPSS-UHFFFAOYSA-N -1 1 386.860 4.179 20 0 GIADMM COc1cc(F)ccc1NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000025310872 819960456 /nfs/dbraw/zinc/96/04/56/819960456.db2.gz GVLJCXUXNNJXAI-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025345621 819967168 /nfs/dbraw/zinc/96/71/68/819967168.db2.gz PRDULLLARNWUNS-QGZVFWFLSA-N -1 1 388.533 4.432 20 0 GIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000025741207 820020480 /nfs/dbraw/zinc/02/04/80/820020480.db2.gz PHTAOLWQUNOZGA-UHFFFAOYSA-N -1 1 378.519 4.194 20 0 GIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741278 820020632 /nfs/dbraw/zinc/02/06/32/820020632.db2.gz FMEGCQNCGMHMJX-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM O=C(CSc1cccc2cccc(Cl)c21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254488 820075991 /nfs/dbraw/zinc/07/59/91/820075991.db2.gz JJEYZTFKODNRES-UHFFFAOYSA-N -1 1 386.786 4.361 20 0 GIADMM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000026318720 820082097 /nfs/dbraw/zinc/08/20/97/820082097.db2.gz QLMMDQGKQBAWRJ-UHFFFAOYSA-N -1 1 393.468 4.034 20 0 GIADMM Cc1ccccc1CNc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1 ZINC000058785989 823451399 /nfs/dbraw/zinc/45/13/99/823451399.db2.gz LJQYWDLSRNYPNB-UHFFFAOYSA-N -1 1 391.423 4.058 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)co1 ZINC000026540269 820111067 /nfs/dbraw/zinc/11/10/67/820111067.db2.gz FXWLLICCHQWRKH-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000027150295 820201634 /nfs/dbraw/zinc/20/16/34/820201634.db2.gz AWQNINQNHXWJBN-KRWDZBQOSA-N -1 1 386.517 4.058 20 0 GIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000028259915 820321054 /nfs/dbraw/zinc/32/10/54/820321054.db2.gz XRAPPMFAQOFRSW-UHFFFAOYSA-N -1 1 395.864 4.160 20 0 GIADMM CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028275507 820322410 /nfs/dbraw/zinc/32/24/10/820322410.db2.gz RXQMRFAXUOJXLL-GFCCVEGCSA-N -1 1 380.897 4.434 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028490748 820339509 /nfs/dbraw/zinc/33/95/09/820339509.db2.gz MLWYDVRCXMHGTI-SFHVURJKSA-N -1 1 390.480 4.031 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C)ccc2C)c1 ZINC000028494260 820340547 /nfs/dbraw/zinc/34/05/47/820340547.db2.gz DLBOSBUJMPHSSF-KRWDZBQOSA-N -1 1 386.517 4.119 20 0 GIADMM O=C(NCCCC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000029180183 820407747 /nfs/dbraw/zinc/40/77/47/820407747.db2.gz QVQAYZWCTMSDSB-UHFFFAOYSA-N -1 1 386.517 4.188 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000030537393 820635856 /nfs/dbraw/zinc/63/58/56/820635856.db2.gz VQCKQFBMWFCNSS-UHFFFAOYSA-N -1 1 399.545 4.298 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)[C@@H](CC)c3ccccc3)n2)n[n-]c1=S ZINC000030689275 820666299 /nfs/dbraw/zinc/66/62/99/820666299.db2.gz HJIMASMQEAKGBK-HNNXBMFYSA-N -1 1 399.545 4.306 20 0 GIADMM O=S(=O)([N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(F)c(Cl)c1 ZINC000060062887 823506429 /nfs/dbraw/zinc/50/64/29/823506429.db2.gz UEZIPNNZUYQXJU-INIZCTEOSA-N -1 1 395.843 4.008 20 0 GIADMM CCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000031377152 820800391 /nfs/dbraw/zinc/80/03/91/820800391.db2.gz DVAHJVCHSNFHAL-UHFFFAOYSA-N -1 1 394.924 4.259 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)cc1 ZINC000031535063 820822827 /nfs/dbraw/zinc/82/28/27/820822827.db2.gz KDAFLTJAOITZEL-UHFFFAOYSA-N -1 1 392.480 4.384 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000060093494 823507737 /nfs/dbraw/zinc/50/77/37/823507737.db2.gz HHKNODRVRUSCHJ-UHFFFAOYSA-N -1 1 388.880 4.304 20 0 GIADMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000031667794 820841765 /nfs/dbraw/zinc/84/17/65/820841765.db2.gz WDESRYSWSOOAAH-YRNVUSSQSA-N -1 1 379.865 4.026 20 0 GIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000060192470 823511459 /nfs/dbraw/zinc/51/14/59/823511459.db2.gz YWWGBEOGXVCGGJ-UHFFFAOYSA-N -1 1 390.487 4.009 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032064876 820893330 /nfs/dbraw/zinc/89/33/30/820893330.db2.gz REYFZIWJQNKIHY-AWEZNQCLSA-N -1 1 394.924 4.401 20 0 GIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000032369609 820927223 /nfs/dbraw/zinc/92/72/23/820927223.db2.gz HEJQYLPFSYBHJS-UHFFFAOYSA-N -1 1 380.469 4.154 20 0 GIADMM Cc1cc([C@@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c(C)s1 ZINC000032401797 820934665 /nfs/dbraw/zinc/93/46/65/820934665.db2.gz UVHVMHQYGCZSHQ-CYBMUJFWSA-N -1 1 386.546 4.472 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1Cl ZINC000032586478 820973042 /nfs/dbraw/zinc/97/30/42/820973042.db2.gz OPHQNVMBVFRMJL-UHFFFAOYSA-N -1 1 398.214 4.404 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C(F)(F)F ZINC000032601757 820976784 /nfs/dbraw/zinc/97/67/84/820976784.db2.gz HQCREZYWRJTCKK-UHFFFAOYSA-N -1 1 399.369 4.139 20 0 GIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)c1C ZINC000032630327 820980214 /nfs/dbraw/zinc/98/02/14/820980214.db2.gz USLQLCZHSJBQGL-UHFFFAOYSA-N -1 1 394.924 4.076 20 0 GIADMM O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401334 823523879 /nfs/dbraw/zinc/52/38/79/823523879.db2.gz HPPKYNMTJXSWRH-CCEZHUSRSA-N -1 1 378.453 4.139 20 0 GIADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000036350925 821071835 /nfs/dbraw/zinc/07/18/35/821071835.db2.gz FKGHBPTYIJHKIC-UHFFFAOYSA-N -1 1 388.533 4.233 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1c(Cl)nc2sccn21 ZINC000037555471 821092511 /nfs/dbraw/zinc/09/25/11/821092511.db2.gz UEHNFGIERYZHTB-UHFFFAOYSA-N -1 1 382.681 4.157 20 0 GIADMM O=C(Nc1ccc(F)c(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043269061 821383803 /nfs/dbraw/zinc/38/38/03/821383803.db2.gz FASAHERRZIWJEW-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000181081623 821623357 /nfs/dbraw/zinc/62/33/57/821623357.db2.gz GTZQPZTZTXFHDF-MSOLQXFVSA-N -1 1 398.459 4.093 20 0 GIADMM CC(C)(C)Sc1cc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)ccn1 ZINC000181475164 821842980 /nfs/dbraw/zinc/84/29/80/821842980.db2.gz RFFFTNCPWWIXLB-UHFFFAOYSA-N -1 1 398.315 4.354 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(OCC(F)F)cc1 ZINC000181674975 821938472 /nfs/dbraw/zinc/93/84/72/821938472.db2.gz VKUDQTWRQVCREA-UHFFFAOYSA-N -1 1 394.399 4.150 20 0 GIADMM CCS[C@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000178113335 822324062 /nfs/dbraw/zinc/32/40/62/822324062.db2.gz PJHPYPGGXZUOKO-HOTGVXAUSA-N -1 1 390.578 4.097 20 0 GIADMM COc1ccc(N[C@H]2CCSc3ccc(Cl)cc32)cc1[N-]S(C)(=O)=O ZINC000182735215 822359765 /nfs/dbraw/zinc/35/97/65/822359765.db2.gz CLDWFKMOVRZVKY-AWEZNQCLSA-N -1 1 398.937 4.369 20 0 GIADMM COc1ccc(N[C@H]2CCCOc3c(C)cc(C)cc32)cc1[N-]S(C)(=O)=O ZINC000182736292 822359923 /nfs/dbraw/zinc/35/99/23/822359923.db2.gz YHCZMEFFVTVYNM-KRWDZBQOSA-N -1 1 390.505 4.009 20 0 GIADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ccc(C(F)(F)F)cn1 ZINC000182746291 822361563 /nfs/dbraw/zinc/36/15/63/822361563.db2.gz FIMVLNVQQWTFDX-UHFFFAOYSA-N -1 1 384.301 4.061 20 0 GIADMM CC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000182830850 822374548 /nfs/dbraw/zinc/37/45/48/822374548.db2.gz QAVQKFDJEKZJFI-MRXNPFEDSA-N -1 1 387.505 4.141 20 0 GIADMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000182831282 822374760 /nfs/dbraw/zinc/37/47/60/822374760.db2.gz BSERAERSUQWHEV-GDBMZVCRSA-N -1 1 396.668 4.068 20 0 GIADMM CN(CC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000182831658 822374779 /nfs/dbraw/zinc/37/47/79/822374779.db2.gz DHOOBWIIBGSZJJ-UHFFFAOYSA-N -1 1 387.505 4.141 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000182873616 822383720 /nfs/dbraw/zinc/38/37/20/822383720.db2.gz FXPUEMDAOHFWPS-KRWDZBQOSA-N -1 1 395.267 4.267 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000182874715 822384000 /nfs/dbraw/zinc/38/40/00/822384000.db2.gz MFRJANMSNCQZKV-NSHDSACASA-N -1 1 399.661 4.344 20 0 GIADMM Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182922420 822393270 /nfs/dbraw/zinc/39/32/70/822393270.db2.gz MRPCIVPSRFUKBT-UHFFFAOYSA-N -1 1 388.221 4.074 20 0 GIADMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCCC1 ZINC000045906550 822422911 /nfs/dbraw/zinc/42/29/11/822422911.db2.gz MLLHCRFSNNPWQY-UHFFFAOYSA-N -1 1 386.517 4.282 20 0 GIADMM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1cc(C)cc(C)c1 ZINC000179446858 822484332 /nfs/dbraw/zinc/48/43/32/822484332.db2.gz PNCBQYBPIXQAAV-UHFFFAOYSA-N -1 1 393.443 4.224 20 0 GIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000179469585 822487249 /nfs/dbraw/zinc/48/72/49/822487249.db2.gz DCSGJKAESPVIAV-UHFFFAOYSA-N -1 1 383.879 4.435 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)[n-]1 ZINC000046587877 822488754 /nfs/dbraw/zinc/48/87/54/822488754.db2.gz PPTHFLAKLKAFHS-UHFFFAOYSA-N -1 1 393.468 4.271 20 0 GIADMM O=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588477 822488935 /nfs/dbraw/zinc/48/89/35/822488935.db2.gz MWZSNQGHNGZIDH-UHFFFAOYSA-N -1 1 398.509 4.218 20 0 GIADMM Cc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591967 822489236 /nfs/dbraw/zinc/48/92/36/822489236.db2.gz PBGUIQYFBJRGKC-UHFFFAOYSA-N -1 1 386.498 4.039 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611895 822492206 /nfs/dbraw/zinc/49/22/06/822492206.db2.gz HAJVFVHYZBANPF-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CC[C@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000179584397 822507045 /nfs/dbraw/zinc/50/70/45/822507045.db2.gz RMPHJKMKQPXLPF-LBPRGKRZSA-N -1 1 388.386 4.155 20 0 GIADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cnc(-c2ccncc2)s1 ZINC000179588499 822507628 /nfs/dbraw/zinc/50/76/28/822507628.db2.gz IKEHULSYFWYFAG-ONEGZZNKSA-N -1 1 381.442 4.072 20 0 GIADMM CC[C@]1(C)CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179650699 822519883 /nfs/dbraw/zinc/51/98/83/822519883.db2.gz ZWGXENVPSRFRHT-QGZVFWFLSA-N -1 1 388.386 4.155 20 0 GIADMM CCc1cc2c(CNc3cccc(N4CCCCC4=O)c3)cc(=O)oc2cc1[O-] ZINC000046834304 822522381 /nfs/dbraw/zinc/52/23/81/822522381.db2.gz VTDGELLEDQRRLZ-UHFFFAOYSA-N -1 1 392.455 4.190 20 0 GIADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183824822 822532537 /nfs/dbraw/zinc/53/25/37/822532537.db2.gz HHYLKWKDNIKVKU-UHFFFAOYSA-N -1 1 383.860 4.073 20 0 GIADMM CSc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000047055462 822541182 /nfs/dbraw/zinc/54/11/82/822541182.db2.gz ZRABJSRCFFJSCB-OAHLLOKOSA-N -1 1 398.528 4.480 20 0 GIADMM CCc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)s1 ZINC000047123761 822545681 /nfs/dbraw/zinc/54/56/81/822545681.db2.gz QMNNYEAOOZZZCQ-UHFFFAOYSA-N -1 1 386.546 4.247 20 0 GIADMM O=C([O-])c1ccccc1OCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000183921654 822546867 /nfs/dbraw/zinc/54/68/67/822546867.db2.gz SAQMHWMBECFSRL-UHFFFAOYSA-N -1 1 375.415 4.487 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000047289982 822562634 /nfs/dbraw/zinc/56/26/34/822562634.db2.gz FGDCGDNFVCFQLI-UHFFFAOYSA-N -1 1 393.516 4.155 20 0 GIADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184029226 822567239 /nfs/dbraw/zinc/56/72/39/822567239.db2.gz AZOQRYJKYUVHEA-LLVKDONJSA-N -1 1 382.204 4.063 20 0 GIADMM Cc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000047339413 822568689 /nfs/dbraw/zinc/56/86/89/822568689.db2.gz QSAUFCDUAKSAHK-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000179903881 822574145 /nfs/dbraw/zinc/57/41/45/822574145.db2.gz LETSNHSEWKIDNF-UHFFFAOYSA-N -1 1 389.377 4.238 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000184147239 822585706 /nfs/dbraw/zinc/58/57/06/822585706.db2.gz GOFKYGBJPMYAIL-CALCHBBNSA-N -1 1 399.516 4.141 20 0 GIADMM CCCN(CC1CC1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149571 822586006 /nfs/dbraw/zinc/58/60/06/822586006.db2.gz SCURPOMFWPTSLU-UHFFFAOYSA-N -1 1 387.505 4.141 20 0 GIADMM C[C@@H](C1CC1)N(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000184150504 822586158 /nfs/dbraw/zinc/58/61/58/822586158.db2.gz FZTRGIFVGBRYIU-HNNXBMFYSA-N -1 1 399.516 4.282 20 0 GIADMM N#CCCN(Cc1cc(Br)cc(Br)c1[O-])CC1CC1 ZINC000180057201 822605593 /nfs/dbraw/zinc/60/55/93/822605593.db2.gz NXSWNTDOQVYHAS-UHFFFAOYSA-N -1 1 388.103 4.043 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1Br ZINC000048230574 822647300 /nfs/dbraw/zinc/64/73/00/822647300.db2.gz RYTYSFNTJGVKGX-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1sccc1Br ZINC000048444132 822662389 /nfs/dbraw/zinc/66/23/89/822662389.db2.gz IFZILJNYXSKWHQ-NSHDSACASA-N -1 1 390.349 4.026 20 0 GIADMM Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CCCC(=O)[O-])cc1 ZINC000455646412 822690315 /nfs/dbraw/zinc/69/03/15/822690315.db2.gz PUZLTLMXZYUSDP-UHFFFAOYSA-N -1 1 390.867 4.176 20 0 GIADMM CC(=O)c1ccccc1OCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000184880860 822706400 /nfs/dbraw/zinc/70/64/00/822706400.db2.gz VZOHLWIZEXQBGY-UHFFFAOYSA-N -1 1 380.469 4.119 20 0 GIADMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(F)c(F)c([O-])c1F ZINC000184936866 822715539 /nfs/dbraw/zinc/71/55/39/822715539.db2.gz HTUBLCZIWKIJAU-LJQANCHMSA-N -1 1 397.356 4.205 20 0 GIADMM C[C@@H](C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)c1cn(C)c2ccccc12 ZINC000185019089 822725829 /nfs/dbraw/zinc/72/58/29/822725829.db2.gz VHIYIEZEHQVUKF-LLVKDONJSA-N -1 1 390.270 4.050 20 0 GIADMM CC[C@H](C)N(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455789256 822727002 /nfs/dbraw/zinc/72/70/02/822727002.db2.gz KZRZQDGZUYPZMZ-INIZCTEOSA-N -1 1 389.521 4.366 20 0 GIADMM Cc1ccc(NC(=O)N2CCCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455799897 822728750 /nfs/dbraw/zinc/72/87/50/822728750.db2.gz SRRDAKRQMMGZCP-UHFFFAOYSA-N -1 1 387.505 4.204 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N(C)C3CCC3)ccc2C)c1 ZINC000455800765 822728919 /nfs/dbraw/zinc/72/89/19/822728919.db2.gz UMCILGFKALZVCH-UHFFFAOYSA-N -1 1 387.505 4.120 20 0 GIADMM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185058254 822730536 /nfs/dbraw/zinc/73/05/36/822730536.db2.gz RMNWTEJPRVYNTO-UHFFFAOYSA-N -1 1 399.903 4.438 20 0 GIADMM COc1ccc(-c2nnc([N-]C(=O)c3nc(C)oc3-c3ccccc3)s2)cc1 ZINC000185271015 822757418 /nfs/dbraw/zinc/75/74/18/822757418.db2.gz GOTRDKYTYZWOGK-UHFFFAOYSA-N -1 1 392.440 4.429 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000174370981 822779626 /nfs/dbraw/zinc/77/96/26/822779626.db2.gz GIXIZGYLSMDGOZ-LAUBAEHRSA-N -1 1 398.528 4.201 20 0 GIADMM CC(C)C1CCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)CC1 ZINC000174378638 822780875 /nfs/dbraw/zinc/78/08/75/822780875.db2.gz XTLPAQGPSNSUBB-UHFFFAOYSA-N -1 1 378.929 4.156 20 0 GIADMM COc1ccccc1-c1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n[nH]1 ZINC000052779090 822810606 /nfs/dbraw/zinc/81/06/06/822810606.db2.gz IFQGUUYKNRQNIH-UHFFFAOYSA-N -1 1 395.806 4.041 20 0 GIADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncoc1-c1ccc(F)cc1 ZINC000185726338 822814974 /nfs/dbraw/zinc/81/49/74/822814974.db2.gz OQYUMMXVIBKRPI-UHFFFAOYSA-N -1 1 380.404 4.175 20 0 GIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)s2)cc1 ZINC000185732054 822815742 /nfs/dbraw/zinc/81/57/42/822815742.db2.gz JZAOOYXAOPLVLB-UHFFFAOYSA-N -1 1 394.431 4.484 20 0 GIADMM COc1ccc(-c2nsc([N-]C(=O)c3ccc(F)c(Cl)c3F)n2)cc1 ZINC000185842067 822826599 /nfs/dbraw/zinc/82/65/99/822826599.db2.gz OTICBZWGSJFWNL-UHFFFAOYSA-N -1 1 381.791 4.398 20 0 GIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCCC1 ZINC000053333799 822830765 /nfs/dbraw/zinc/83/07/65/822830765.db2.gz RNOLWSDXCUSQTJ-UHFFFAOYSA-N -1 1 392.908 4.155 20 0 GIADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(Br)ccc3[O-])C2)c1 ZINC000456924819 822842046 /nfs/dbraw/zinc/84/20/46/822842046.db2.gz PVYLIDNALPNRIR-CTYIDZIISA-N -1 1 390.277 4.182 20 0 GIADMM COc1cc(-c2cc3[n-]c(-c4ccccc4)nc(=O)c3s2)cc(OC)c1OC ZINC000053853475 822850913 /nfs/dbraw/zinc/85/09/13/822850913.db2.gz POEWWYRIPIJBPE-UHFFFAOYSA-N -1 1 394.452 4.344 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)[n-]c(=O)c1C ZINC000569020692 822870471 /nfs/dbraw/zinc/87/04/71/822870471.db2.gz CPEJUOBOHSTXIX-LBPRGKRZSA-N -1 1 399.472 4.121 20 0 GIADMM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000186306728 822873937 /nfs/dbraw/zinc/87/39/37/822873937.db2.gz DPHDXCGANLKLQM-UHFFFAOYSA-N -1 1 383.622 4.390 20 0 GIADMM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cc(F)ccc1F ZINC000569125603 822881791 /nfs/dbraw/zinc/88/17/91/822881791.db2.gz PXSFWOLCEXINDK-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CSc1nc(C)c(CCC(=O)Oc2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000054563847 822895552 /nfs/dbraw/zinc/89/55/52/822895552.db2.gz MRXNIBMMKNHXEX-UHFFFAOYSA-N -1 1 380.469 4.005 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccnc3C)cc2)c1C ZINC000175186726 822900585 /nfs/dbraw/zinc/90/05/85/822900585.db2.gz RPLHBJMOWNPZQD-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1C(=O)N(C)C ZINC000186478110 822901879 /nfs/dbraw/zinc/90/18/79/822901879.db2.gz HENHUZOEJCLARX-LLVKDONJSA-N -1 1 395.272 4.477 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(C(F)(F)F)c1 ZINC000186607013 822922715 /nfs/dbraw/zinc/92/27/15/822922715.db2.gz PGOIHXVNXDVPNF-UHFFFAOYSA-N -1 1 377.359 4.185 20 0 GIADMM COc1ccc(-c2nnc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)s2)cc1 ZINC000186662030 822932060 /nfs/dbraw/zinc/93/20/60/822932060.db2.gz SWCGJBRXJWUJEM-UHFFFAOYSA-N -1 1 396.403 4.260 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457923344 822936895 /nfs/dbraw/zinc/93/68/95/822936895.db2.gz KFQPYIJEPDSABH-QGZVFWFLSA-N -1 1 393.405 4.367 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC[C@H]1CCC[C@@H](C)C1)CC2 ZINC000569612321 822944614 /nfs/dbraw/zinc/94/46/14/822944614.db2.gz VLNQESRMJJTAQP-MDZRGWNJSA-N -1 1 375.509 4.294 20 0 GIADMM Cc1nc(-c2ccc(N[C@@H](C)CCOCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000569614084 822944987 /nfs/dbraw/zinc/94/49/87/822944987.db2.gz HYWDKSHRZRLXPT-HNNXBMFYSA-N -1 1 378.476 4.268 20 0 GIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]2CCC[C@H]21 ZINC000569641415 822948853 /nfs/dbraw/zinc/94/88/53/822948853.db2.gz LOFUPQAAEKDTQD-WOJBJXKFSA-N -1 1 398.528 4.138 20 0 GIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000175373404 822950450 /nfs/dbraw/zinc/95/04/50/822950450.db2.gz ZJSNWXMIVFULRB-KRWDZBQOSA-N -1 1 396.487 4.444 20 0 GIADMM O=C(Cc1c(Cl)cccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315471 822951211 /nfs/dbraw/zinc/95/12/11/822951211.db2.gz MIPVNLYFSIQBTF-UHFFFAOYSA-N -1 1 392.282 4.363 20 0 GIADMM CCOc1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)cc(Cl)c1[O-] ZINC000186771076 822952522 /nfs/dbraw/zinc/95/25/22/822952522.db2.gz NUWMRKNNAXIZOX-UHFFFAOYSA-N -1 1 380.897 4.229 20 0 GIADMM CCOc1cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)cc(Cl)c1[O-] ZINC000186880031 822973627 /nfs/dbraw/zinc/97/36/27/822973627.db2.gz BEPYNTJVMOKNLB-UHFFFAOYSA-N -1 1 375.852 4.202 20 0 GIADMM Cc1ccc(C=CS(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000055583168 822982273 /nfs/dbraw/zinc/98/22/73/822982273.db2.gz ARMSDJJGLIKBHY-OUKQBFOZSA-N -1 1 380.473 4.070 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000055650409 822993122 /nfs/dbraw/zinc/99/31/22/822993122.db2.gz IEJBIBSUEHVFNS-UHFFFAOYSA-N -1 1 380.469 4.072 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000055688140 822999507 /nfs/dbraw/zinc/99/95/07/822999507.db2.gz BJXPIWFJKDATRB-UHFFFAOYSA-N -1 1 381.453 4.269 20 0 GIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1 ZINC000187079984 823007876 /nfs/dbraw/zinc/00/78/76/823007876.db2.gz AEYXKQKQSPKRFD-UHFFFAOYSA-N -1 1 386.473 4.024 20 0 GIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187166290 823019851 /nfs/dbraw/zinc/01/98/51/823019851.db2.gz HJSFQIBSNJGKLO-AWEZNQCLSA-N -1 1 399.871 4.228 20 0 GIADMM CC1(C)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCS1 ZINC000570370360 823030359 /nfs/dbraw/zinc/03/03/59/823030359.db2.gz OCFILVGPQFEXRS-UHFFFAOYSA-N -1 1 395.322 4.061 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC34CCC4)cc2)c1 ZINC000570390102 823032370 /nfs/dbraw/zinc/03/23/70/823032370.db2.gz DSZUYQBEXHNWSJ-UHFFFAOYSA-N -1 1 398.528 4.263 20 0 GIADMM CSc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000055747778 823036546 /nfs/dbraw/zinc/03/65/46/823036546.db2.gz VKDSHJHDCJKLOE-UHFFFAOYSA-N -1 1 398.557 4.345 20 0 GIADMM CCc1nnc(-c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)o1 ZINC000175806623 823044853 /nfs/dbraw/zinc/04/48/53/823044853.db2.gz YXAZLTABQFVVDB-UHFFFAOYSA-N -1 1 388.221 4.019 20 0 GIADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000123909078 823550763 /nfs/dbraw/zinc/55/07/63/823550763.db2.gz OOJQQROGBIQYJD-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)c2)cc1 ZINC000460967191 823552492 /nfs/dbraw/zinc/55/24/92/823552492.db2.gz YGNOAXKUBGQCHL-HXUWFJFHSA-N -1 1 398.528 4.056 20 0 GIADMM C[C@H]1CCC[C@@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000124149724 823572094 /nfs/dbraw/zinc/57/20/94/823572094.db2.gz NVDXFUMDTBVUNL-SWLSCSKDSA-N -1 1 378.929 4.298 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CC[C@H](c2ccccc2)C1 ZINC000124159813 823573070 /nfs/dbraw/zinc/57/30/70/823573070.db2.gz SFMJOYCBDXKKLR-HNNXBMFYSA-N -1 1 384.530 4.075 20 0 GIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000124167267 823573885 /nfs/dbraw/zinc/57/38/85/823573885.db2.gz MPLRSVOTEPEDNW-INIZCTEOSA-N -1 1 391.880 4.177 20 0 GIADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000124167435 823573898 /nfs/dbraw/zinc/57/38/98/823573898.db2.gz MPLRSVOTEPEDNW-MRXNPFEDSA-N -1 1 391.880 4.177 20 0 GIADMM CCN(Cc1ccccc1)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000061039333 823574927 /nfs/dbraw/zinc/57/49/27/823574927.db2.gz BWVFUNUKQHHIAR-UHFFFAOYSA-N -1 1 380.517 4.355 20 0 GIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000124179894 823575014 /nfs/dbraw/zinc/57/50/14/823575014.db2.gz LOIKIKACSRECPQ-UHFFFAOYSA-N -1 1 397.847 4.469 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nn(C)c3C)cc1C(C)C ZINC000461329850 823618645 /nfs/dbraw/zinc/61/86/45/823618645.db2.gz BCKWCSPZFBJAEK-UHFFFAOYSA-N -1 1 387.505 4.123 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc12 ZINC000461340584 823620555 /nfs/dbraw/zinc/62/05/55/823620555.db2.gz IGHBGDJYRNPLCW-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000062294165 823627905 /nfs/dbraw/zinc/62/79/05/823627905.db2.gz ZYSQVSWWHPPQLV-NSHDSACASA-N -1 1 385.844 4.159 20 0 GIADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000124932042 823638238 /nfs/dbraw/zinc/63/82/38/823638238.db2.gz SMXSEQYEBBZHRO-XPKDYRNWSA-N -1 1 390.940 4.441 20 0 GIADMM Cn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cccc(Cl)c1 ZINC000124980769 823642378 /nfs/dbraw/zinc/64/23/78/823642378.db2.gz ASGBJFPROOXFKQ-UHFFFAOYSA-N -1 1 399.859 4.240 20 0 GIADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294745 823643792 /nfs/dbraw/zinc/64/37/92/823643792.db2.gz WZFXTOAHPNMZKG-SFYZADRCSA-N -1 1 377.076 4.148 20 0 GIADMM CSC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CCC1 ZINC000412294898 823643854 /nfs/dbraw/zinc/64/38/54/823643854.db2.gz XGBVLWQHLGRUBI-UHFFFAOYSA-N -1 1 395.116 4.141 20 0 GIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1 ZINC000063179543 823654493 /nfs/dbraw/zinc/65/44/93/823654493.db2.gz USARVOCLPWPVAF-UHFFFAOYSA-N -1 1 385.432 4.343 20 0 GIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(O[C@H](C)CC)c2)cc1 ZINC000063443319 823671747 /nfs/dbraw/zinc/67/17/47/823671747.db2.gz FZVRJOKBAUTMTO-MRXNPFEDSA-N -1 1 393.505 4.080 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000063444044 823671904 /nfs/dbraw/zinc/67/19/04/823671904.db2.gz LZOSGCRPXDKOEW-UHFFFAOYSA-N -1 1 393.679 4.406 20 0 GIADMM Cc1cc(C(=O)N[N-]C(=O)c2sc(-c3ccc(C)cc3C)nc2C)c(C)o1 ZINC000063568966 823680031 /nfs/dbraw/zinc/68/00/31/823680031.db2.gz UUEYJFZXUBMFFY-UHFFFAOYSA-N -1 1 383.473 4.020 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccc1C ZINC000125566232 823685917 /nfs/dbraw/zinc/68/59/17/823685917.db2.gz ZUEFCNTVLPXQQB-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(C)C)c2)cc1 ZINC000063814986 823698992 /nfs/dbraw/zinc/69/89/92/823698992.db2.gz LXXHLALANYRXLJ-HXUWFJFHSA-N -1 1 386.517 4.056 20 0 GIADMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(COC)c3)cc2O1 ZINC000574330340 823703785 /nfs/dbraw/zinc/70/37/85/823703785.db2.gz TUFWKQHRBSRKAZ-SFHVURJKSA-N -1 1 397.880 4.185 20 0 GIADMM O=C([O-])c1c(CN2CCO[C@H]3CCC[C@H]32)nc2ccccc2c1-c1ccccc1 ZINC000574332596 823704032 /nfs/dbraw/zinc/70/40/32/823704032.db2.gz SESSXALNNAOMAY-RTWAWAEBSA-N -1 1 388.467 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O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cc(-c2ccccc2)on1 ZINC000176645180 823256531 /nfs/dbraw/zinc/25/65/31/823256531.db2.gz RRZOFCJGIDDHSU-UHFFFAOYSA-N -1 1 397.485 4.353 20 0 GIADMM CCc1ccc(C(C)(C)NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000176655025 823258665 /nfs/dbraw/zinc/25/86/65/823258665.db2.gz PHZXSJCKKDMNMV-UHFFFAOYSA-N -1 1 386.546 4.283 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000002640281 817395576 /nfs/dbraw/zinc/39/55/76/817395576.db2.gz UZEZDDINNILYDS-UHFFFAOYSA-N -1 1 394.924 4.101 20 0 GIADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(C)c(Cl)c3)ccc21 ZINC000121849500 823262493 /nfs/dbraw/zinc/26/24/93/823262493.db2.gz GIJVBHTYDOVEDC-UHFFFAOYSA-N -1 1 399.299 4.012 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000004863488 817538427 /nfs/dbraw/zinc/53/84/27/817538427.db2.gz UUMURXVXVOONQJ-IBGZPJMESA-N -1 1 386.517 4.201 20 0 GIADMM Cc1ccc(-c2nnc(SCc3cc(=O)oc4cc([O-])ccc34)o2)cc1C ZINC000005779109 817616547 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GIADMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCOc1cccc(C)c1 ZINC000007154839 817773750 /nfs/dbraw/zinc/77/37/50/817773750.db2.gz RXJJWKAVMLXQQV-UYRXBGFRSA-N -1 1 399.468 4.175 20 0 GIADMM Cc1cc(C)cc(-c2nnc(SCc3cc(=O)oc4cc([O-])ccc34)o2)c1 ZINC000007160052 817774941 /nfs/dbraw/zinc/77/49/41/817774941.db2.gz XTJOUFLVFFJYOJ-UHFFFAOYSA-N -1 1 380.425 4.458 20 0 GIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000572142047 823289375 /nfs/dbraw/zinc/28/93/75/823289375.db2.gz ODMKLNOBTVSBBR-UHFFFAOYSA-N -1 1 391.251 4.282 20 0 GIADMM CCOc1ccc(NC(=O)Cc2sc(Nc3cc(C)cc(C)c3)nc2[O-])cc1 ZINC000007883446 817950503 /nfs/dbraw/zinc/95/05/03/817950503.db2.gz PXCWBKOJIUSYBS-SFHVURJKSA-N -1 1 397.500 4.141 20 0 GIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000008033628 817986684 /nfs/dbraw/zinc/98/66/84/817986684.db2.gz AWUBQMCWTNXRFI-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)cc1 ZINC000008286911 818029973 /nfs/dbraw/zinc/02/99/73/818029973.db2.gz SNVNSGCLDAAPIB-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000015513093 818333323 /nfs/dbraw/zinc/33/33/23/818333323.db2.gz URZWOSKNOHKONU-UHFFFAOYSA-N -1 1 386.445 4.151 20 0 GIADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)c(Cl)nc1Cl ZINC000057783023 823332103 /nfs/dbraw/zinc/33/21/03/823332103.db2.gz XQNLAFSRGCZJHX-UHFFFAOYSA-N -1 1 375.237 4.360 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3F)c2)cc1 ZINC000015541103 818335960 /nfs/dbraw/zinc/33/59/60/818335960.db2.gz LGPHNKFYXFCPSP-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015796663 818367577 /nfs/dbraw/zinc/36/75/77/818367577.db2.gz GBDYAUPECAXLGY-AWEZNQCLSA-N -1 1 392.908 4.155 20 0 GIADMM COc1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3)n2CC(C)C)cc1 ZINC000015852559 818376881 /nfs/dbraw/zinc/37/68/81/818376881.db2.gz IDJBQXKLXAGVDQ-UHFFFAOYSA-N -1 1 397.500 4.290 20 0 GIADMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000188978814 823337440 /nfs/dbraw/zinc/33/74/40/823337440.db2.gz JWYUNWHGIOKFAJ-UHFFFAOYSA-N -1 1 386.517 4.155 20 0 GIADMM CCN(CC)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000016598725 818458370 /nfs/dbraw/zinc/45/83/70/818458370.db2.gz DQRKXEOMIMLEFN-UHFFFAOYSA-N -1 1 395.532 4.401 20 0 GIADMM CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000016601576 818458989 /nfs/dbraw/zinc/45/89/89/818458989.db2.gz DCYOWGXOTWRMEF-ZDUSSCGKSA-N -1 1 380.897 4.059 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)cc2O)cc1 ZINC000017410394 818514689 /nfs/dbraw/zinc/51/46/89/818514689.db2.gz ODVXNOZLEMHXDP-UHFFFAOYSA-N -1 1 398.488 4.049 20 0 GIADMM CCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017593719 818521076 /nfs/dbraw/zinc/52/10/76/818521076.db2.gz VSMSPVMTBCONBY-UHFFFAOYSA-N -1 1 380.897 4.013 20 0 GIADMM Cc1cnc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c([O-])c1 ZINC000460296913 823344108 /nfs/dbraw/zinc/34/41/08/823344108.db2.gz BQRAOFLPJXWNHD-UHFFFAOYSA-N -1 1 380.488 4.029 20 0 GIADMM C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[N-]C(=O)c1cc2ccccc2s1 ZINC000018052645 818541736 /nfs/dbraw/zinc/54/17/36/818541736.db2.gz OHWWHEQCTMBOOB-CQSZACIVSA-N -1 1 390.464 4.283 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000018122789 818548422 /nfs/dbraw/zinc/54/84/22/818548422.db2.gz OITMXDNJTLVMJQ-UHFFFAOYSA-N -1 1 398.865 4.296 20 0 GIADMM CCC[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1)c1ccccc1 ZINC000018135385 818549373 /nfs/dbraw/zinc/54/93/73/818549373.db2.gz QQQMAFNSULXXRX-GOSISDBHSA-N -1 1 396.516 4.274 20 0 GIADMM CCCN(CCC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000021221094 818665889 /nfs/dbraw/zinc/66/58/89/818665889.db2.gz WTJKPOLONODVAE-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189262525 823383229 /nfs/dbraw/zinc/38/32/29/823383229.db2.gz OMNPZFMORGQUAA-UHFFFAOYSA-N -1 1 382.363 4.247 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCC1 ZINC000058365867 823383407 /nfs/dbraw/zinc/38/34/07/823383407.db2.gz PZVPKVYLSYTQQO-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM CCCC[C@@H](CCC)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000177279595 823419472 /nfs/dbraw/zinc/41/94/72/823419472.db2.gz VZDSWAYYNTXKTK-OAHLLOKOSA-N -1 1 376.526 4.091 20 0 GIADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)ccc2o1 ZINC000058645105 823423170 /nfs/dbraw/zinc/42/31/70/823423170.db2.gz OXGGGBCCHKXMGF-UHFFFAOYSA-N -1 1 393.420 4.386 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)ccc1Br ZINC000060738553 823554559 /nfs/dbraw/zinc/55/45/59/823554559.db2.gz WAHGPFSXFKTAJH-UHFFFAOYSA-N -1 1 398.278 4.066 20 0 GIADMM CC(=O)Nc1ccc2nc(NC(=O)c3cc4ccccc4cc3[O-])sc2c1 ZINC000025039196 819913991 /nfs/dbraw/zinc/91/39/91/819913991.db2.gz FFQYFAYSUCFMMY-UHFFFAOYSA-N -1 1 377.425 4.366 20 0 GIADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000122999351 823446137 /nfs/dbraw/zinc/44/61/37/823446137.db2.gz OEYZMJAPJNSZEP-UHFFFAOYSA-N -1 1 395.484 4.296 20 0 GIADMM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000026773409 820142161 /nfs/dbraw/zinc/14/21/61/820142161.db2.gz GKNZKMIUVWWDDU-UHFFFAOYSA-N -1 1 384.844 4.036 20 0 GIADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccc(OC)c(OC)c1 ZINC000573154661 823456355 /nfs/dbraw/zinc/45/63/55/823456355.db2.gz INVOMYWRJQAIFV-QGZVFWFLSA-N -1 1 394.475 4.441 20 0 GIADMM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000027288560 820221183 /nfs/dbraw/zinc/22/11/83/820221183.db2.gz DRWXJXYLUKVGKJ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000027462140 820247564 /nfs/dbraw/zinc/24/75/64/820247564.db2.gz PMQMHCBAIMPZOH-GFCCVEGCSA-N -1 1 398.887 4.198 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)nc1 ZINC000027643786 820270283 /nfs/dbraw/zinc/27/02/83/820270283.db2.gz XCYIXGARWPTUBJ-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)c1 ZINC000410335591 823466546 /nfs/dbraw/zinc/46/65/46/823466546.db2.gz SZEZRQUMVKYAQR-UHFFFAOYSA-N -1 1 384.505 4.085 20 0 GIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000027698299 820277024 /nfs/dbraw/zinc/27/70/24/820277024.db2.gz DMERWGSMYADIOR-JXFKEZNVSA-N -1 1 386.517 4.186 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C1CC1 ZINC000028250833 820320683 /nfs/dbraw/zinc/32/06/83/820320683.db2.gz XBGOGIIQDYOYAE-UHFFFAOYSA-N -1 1 385.272 4.143 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000028490884 820339895 /nfs/dbraw/zinc/33/98/95/820339895.db2.gz FKKWZGRURXATTA-GOSISDBHSA-N -1 1 386.517 4.201 20 0 GIADMM CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000028494806 820340648 /nfs/dbraw/zinc/34/06/48/820340648.db2.gz JEMUYCBPJNZMQY-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccccc3)ccc2C)c1 ZINC000028700929 820352729 /nfs/dbraw/zinc/35/27/29/820352729.db2.gz HSVUKJSYQAOUKG-UHFFFAOYSA-N -1 1 394.496 4.285 20 0 GIADMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028781876 820357463 /nfs/dbraw/zinc/35/74/63/820357463.db2.gz FTFALABZMIQVPF-LFYBBSHMSA-N -1 1 399.390 4.083 20 0 GIADMM CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030011846 820569113 /nfs/dbraw/zinc/56/91/13/820569113.db2.gz HSFGCMJKYHQRQQ-UHFFFAOYSA-N -1 1 394.496 4.150 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)C3)c2)c1 ZINC000030015164 820569489 /nfs/dbraw/zinc/56/94/89/820569489.db2.gz UHHMUAPYNKKVMM-MAUKXSAKSA-N -1 1 386.517 4.104 20 0 GIADMM CC[C@@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)C1 ZINC000030144076 820579009 /nfs/dbraw/zinc/57/90/09/820579009.db2.gz BOPXKFRPJCNHRK-CQSZACIVSA-N -1 1 383.517 4.282 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000030531145 820633368 /nfs/dbraw/zinc/63/33/68/820633368.db2.gz QULGTUREMGQIMF-INIZCTEOSA-N -1 1 386.517 4.123 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H](C)C(C)(C)C)cc1 ZINC000031407230 820805874 /nfs/dbraw/zinc/80/58/74/820805874.db2.gz INMZWJSGWJKIOO-CQSZACIVSA-N -1 1 390.553 4.289 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000031668672 820841817 /nfs/dbraw/zinc/84/18/17/820841817.db2.gz XWSWPXWNNSPGNM-KRWDZBQOSA-N -1 1 381.881 4.007 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000032071844 820893915 /nfs/dbraw/zinc/89/39/15/820893915.db2.gz NBXWUJSJZGTAER-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3SC3CCCC3)ccc2N1 ZINC000032094488 820896024 /nfs/dbraw/zinc/89/60/24/820896024.db2.gz APMBMKNHRRLVFU-UHFFFAOYSA-N -1 1 388.514 4.017 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1OC ZINC000032097560 820897715 /nfs/dbraw/zinc/89/77/15/820897715.db2.gz GKBMWJXGUDRWFC-UHFFFAOYSA-N -1 1 390.461 4.078 20 0 GIADMM CCC(CC)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000032262977 820905401 /nfs/dbraw/zinc/90/54/01/820905401.db2.gz PMQALIMQLALZQL-UHFFFAOYSA-N -1 1 388.533 4.386 20 0 GIADMM Cc1cc([C@@H](C)NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(C)s1 ZINC000032401761 820934374 /nfs/dbraw/zinc/93/43/74/820934374.db2.gz ZTFCSUWSTNNLED-SNVBAGLBSA-N -1 1 378.548 4.225 20 0 GIADMM O=S(=O)([N-]c1cccc(COc2cccc(F)c2)c1)c1cccc(F)c1 ZINC000032596824 820975365 /nfs/dbraw/zinc/97/53/65/820975365.db2.gz HIJYTXAEIDTWRY-UHFFFAOYSA-N -1 1 375.396 4.345 20 0 GIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000032599898 820975890 /nfs/dbraw/zinc/97/58/90/820975890.db2.gz ODBYSAXYDYGHLT-UHFFFAOYSA-N -1 1 375.368 4.175 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)c(C)c1 ZINC000032601700 820976771 /nfs/dbraw/zinc/97/67/71/820976771.db2.gz TWTPZNOPGNRPNI-UHFFFAOYSA-N -1 1 395.406 4.309 20 0 GIADMM O=C(CCc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401274 823523774 /nfs/dbraw/zinc/52/37/74/823523774.db2.gz XVJVLXYJZOUSDE-UHFFFAOYSA-N -1 1 386.498 4.120 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2cc[nH]c2c1 ZINC000060401594 823523859 /nfs/dbraw/zinc/52/38/59/823523859.db2.gz PUDCAHAGTTZUBB-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Cc1nc(NC(=O)CCc2ccccc2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123563354 823521664 /nfs/dbraw/zinc/52/16/64/823521664.db2.gz KVDNIZSWCLWPJV-UHFFFAOYSA-N -1 1 385.518 4.279 20 0 GIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3C)cc21 ZINC000460822447 823522120 /nfs/dbraw/zinc/52/21/20/823522120.db2.gz DWTCPFWWHUEDGM-UHFFFAOYSA-N -1 1 388.489 4.178 20 0 GIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000033097903 821033133 /nfs/dbraw/zinc/03/31/33/821033133.db2.gz QUZYCINFADMAFY-QFBILLFUSA-N -1 1 386.517 4.138 20 0 GIADMM O=C(/C=C\c1cccs1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000033760713 821059862 /nfs/dbraw/zinc/05/98/62/821059862.db2.gz RKOREYPEFDFFNF-RAXLEYEMSA-N -1 1 384.482 4.201 20 0 GIADMM CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000035903323 821067033 /nfs/dbraw/zinc/06/70/33/821067033.db2.gz OESHWNVFYHIUGV-UHFFFAOYSA-N -1 1 399.082 4.189 20 0 GIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cccs1 ZINC000036794954 821083488 /nfs/dbraw/zinc/08/34/88/821083488.db2.gz KJXICFSYNJHPSE-UHFFFAOYSA-N -1 1 385.470 4.131 20 0 GIADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1c(Cl)nc2sccn21 ZINC000037555495 821093247 /nfs/dbraw/zinc/09/32/47/821093247.db2.gz MKKCCNVHIGTOQT-UHFFFAOYSA-N -1 1 382.681 4.157 20 0 GIADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1C ZINC000460839172 823526043 /nfs/dbraw/zinc/52/60/43/823526043.db2.gz IKJBCHVOPVCUJZ-UHFFFAOYSA-N -1 1 388.258 4.014 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000041594338 821213798 /nfs/dbraw/zinc/21/37/98/821213798.db2.gz VJLFVCNJJWNKSJ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM COc1cc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc(Cl)c1[O-] ZINC000043080644 821359025 /nfs/dbraw/zinc/35/90/25/821359025.db2.gz AZAHPJVLEJATCX-VZUCSPMQSA-N -1 1 391.880 4.354 20 0 GIADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1Cl ZINC000043181928 821375294 /nfs/dbraw/zinc/37/52/94/821375294.db2.gz GRSYSGYGTKQFCN-CQSZACIVSA-N -1 1 386.879 4.411 20 0 GIADMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000181768461 821984530 /nfs/dbraw/zinc/98/45/30/821984530.db2.gz CILAFYZEKVOBIS-NSHDSACASA-N -1 1 387.379 4.084 20 0 GIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC000182053740 822076204 /nfs/dbraw/zinc/07/62/04/822076204.db2.gz JSSZPVDYLSVPSX-HNNXBMFYSA-N -1 1 377.362 4.289 20 0 GIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2[nH]1 ZINC000182498784 822268910 /nfs/dbraw/zinc/26/89/10/822268910.db2.gz VRZJRXVQYUPOPE-UHFFFAOYSA-N -1 1 397.283 4.198 20 0 GIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC000182499721 822269856 /nfs/dbraw/zinc/26/98/56/822269856.db2.gz AJVBIHXCLPIMFV-UHFFFAOYSA-N -1 1 397.283 4.198 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000182516108 822278100 /nfs/dbraw/zinc/27/81/00/822278100.db2.gz IBFUCSAIDRHMJB-UHFFFAOYSA-N -1 1 395.440 4.089 20 0 GIADMM Cc1cccc(CN(Cc2ccccn2)Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000182670327 822345383 /nfs/dbraw/zinc/34/53/83/822345383.db2.gz RHFUOQIMWMSYSG-UHFFFAOYSA-N -1 1 386.451 4.404 20 0 GIADMM O=c1cc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c2ccc([O-])cc2o1 ZINC000182712381 822356984 /nfs/dbraw/zinc/35/69/84/822356984.db2.gz ORVZABDRRBVGMZ-QFIPXVFZSA-N -1 1 392.842 4.426 20 0 GIADMM CO[C@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc([C@@H]2CCCO2)n1CC(C)C ZINC000453499974 822379116 /nfs/dbraw/zinc/37/91/16/822379116.db2.gz YEMZBYWLFXHEQV-WBAXXEDZSA-N -1 1 392.931 4.049 20 0 GIADMM O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045346473 822380262 /nfs/dbraw/zinc/38/02/62/822380262.db2.gz PCIWIOVBGNUATR-NRFANRHFSA-N -1 1 378.472 4.148 20 0 GIADMM CCOc1ccc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000045348868 822380402 /nfs/dbraw/zinc/38/04/02/822380402.db2.gz XSYZEOKRSQBFNN-INIZCTEOSA-N -1 1 396.487 4.156 20 0 GIADMM CO[C@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc([C@H]2CCCO2)n1CC(C)C ZINC000453528259 822383408 /nfs/dbraw/zinc/38/34/08/822383408.db2.gz YEMZBYWLFXHEQV-QGTPRVQTSA-N -1 1 392.931 4.049 20 0 GIADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc([C@H]2CCCO2)n1CC(C)C ZINC000453528260 822383544 /nfs/dbraw/zinc/38/35/44/822383544.db2.gz YEMZBYWLFXHEQV-ZTFGCOKTSA-N -1 1 392.931 4.049 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccccc2Cl)c(=O)[n-]1 ZINC000045418516 822386769 /nfs/dbraw/zinc/38/67/69/822386769.db2.gz SZCXUXYCTVDNRJ-LBPRGKRZSA-N -1 1 379.913 4.018 20 0 GIADMM Cc1cc(Br)c(O)c(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000182905462 822389927 /nfs/dbraw/zinc/38/99/27/822389927.db2.gz RCOHVQWVPCWVJE-UHFFFAOYSA-N -1 1 388.265 4.219 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc3c(cccc3C)[nH]2)c1 ZINC000182905462 822389931 /nfs/dbraw/zinc/38/99/31/822389931.db2.gz RCOHVQWVPCWVJE-UHFFFAOYSA-N -1 1 388.265 4.219 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000182923359 822393401 /nfs/dbraw/zinc/39/34/01/822393401.db2.gz IPFHHMPGXNXDOV-AWEZNQCLSA-N -1 1 384.657 4.179 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc([C@H]3CCCO3)s2)c1 ZINC000182928355 822394766 /nfs/dbraw/zinc/39/47/66/822394766.db2.gz JQKQTKXLTFZLLT-LLVKDONJSA-N -1 1 383.267 4.023 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)OC(C)(C)C)ccc2F)c(C)o1 ZINC000183119401 822426897 /nfs/dbraw/zinc/42/68/97/822426897.db2.gz AJMDOHPOOAYMPP-UHFFFAOYSA-N -1 1 384.429 4.183 20 0 GIADMM COc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C ZINC000046588454 822489056 /nfs/dbraw/zinc/48/90/56/822489056.db2.gz JCQAAOALFBUEMY-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2oc3ccccc3c2C)c(=O)[n-]1 ZINC000046651586 822498816 /nfs/dbraw/zinc/49/88/16/822498816.db2.gz CPYQNVPUULXEHV-CYBMUJFWSA-N -1 1 385.489 4.077 20 0 GIADMM Cc1ccc(NC(=O)/C=C/c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046780400 822516660 /nfs/dbraw/zinc/51/66/60/822516660.db2.gz AVBPEXQZSITJSJ-VAWYXSNFSA-N -1 1 382.441 4.041 20 0 GIADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179673170 822524266 /nfs/dbraw/zinc/52/42/66/822524266.db2.gz HNJYNUWBVVSGCC-QWHCGFSZSA-N -1 1 388.414 4.183 20 0 GIADMM O=C(Nc1cccc(Cl)c1[O-])C1(C(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000179719842 822534761 /nfs/dbraw/zinc/53/47/61/822534761.db2.gz VTCXXEXNIBVHEP-UHFFFAOYSA-N -1 1 395.242 4.152 20 0 GIADMM O=C([O-])c1ccccc1OCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000183914988 822545346 /nfs/dbraw/zinc/54/53/46/822545346.db2.gz GJQVKKWYKIHVFC-UHFFFAOYSA-N -1 1 387.863 4.012 20 0 GIADMM CCOc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119176 822545710 /nfs/dbraw/zinc/54/57/10/822545710.db2.gz HCKCFYUBAQLDGF-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1OCC(F)(F)F ZINC000179763805 822546920 /nfs/dbraw/zinc/54/69/20/822546920.db2.gz XSEZLZKWKVLFMA-UHFFFAOYSA-N -1 1 381.276 4.063 20 0 GIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000180146603 822626312 /nfs/dbraw/zinc/62/63/12/822626312.db2.gz IKYPVPYXOMEMBB-UHFFFAOYSA-N -1 1 388.533 4.401 20 0 GIADMM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cccc1C(=O)N1CCCC1 ZINC000180471431 822687804 /nfs/dbraw/zinc/68/78/04/822687804.db2.gz PQDOOOWULQBPQU-UHFFFAOYSA-N -1 1 392.377 4.208 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000184781514 822690055 /nfs/dbraw/zinc/69/00/55/822690055.db2.gz XFFVVIFULXDAQK-UHFFFAOYSA-N -1 1 387.395 4.346 20 0 GIADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1)C1CC1 ZINC000180566791 822703706 /nfs/dbraw/zinc/70/37/06/822703706.db2.gz MMPRAVRLCFARMQ-UHFFFAOYSA-N -1 1 392.377 4.174 20 0 GIADMM CCCN(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455768819 822722903 /nfs/dbraw/zinc/72/29/03/822722903.db2.gz KNBQYOLCKNQROL-UHFFFAOYSA-N -1 1 375.494 4.060 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(-c3cccs3)no2)nc1-c1ccccc1 ZINC000185048473 822729140 /nfs/dbraw/zinc/72/91/40/822729140.db2.gz OIXWXVKWQAYISV-UHFFFAOYSA-N -1 1 382.470 4.149 20 0 GIADMM Cc1cccc(-c2noc(CSc3nc(-c4ccccc4)c(C)c(=O)[n-]3)n2)c1 ZINC000185055658 822730132 /nfs/dbraw/zinc/73/01/32/822730132.db2.gz YULHFPDVVPBCGB-UHFFFAOYSA-N -1 1 390.468 4.396 20 0 GIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000050534184 822732725 /nfs/dbraw/zinc/73/27/25/822732725.db2.gz LWWLSPQMACGYHB-UHFFFAOYSA-N -1 1 394.496 4.153 20 0 GIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc21 ZINC000050533011 822732811 /nfs/dbraw/zinc/73/28/11/822732811.db2.gz NMYOYRJZGIRTOS-UHFFFAOYSA-N -1 1 385.489 4.201 20 0 GIADMM O=C(CCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000051286330 822754372 /nfs/dbraw/zinc/75/43/72/822754372.db2.gz MCJLJJQUMZOKNA-UHFFFAOYSA-N -1 1 393.483 4.257 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000174370971 822779749 /nfs/dbraw/zinc/77/97/49/822779749.db2.gz GIXIZGYLSMDGOZ-DYESRHJHSA-N -1 1 398.528 4.201 20 0 GIADMM CCSCc1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)no1 ZINC000186117769 822853202 /nfs/dbraw/zinc/85/32/02/822853202.db2.gz HZGZVANULONODV-UHFFFAOYSA-N -1 1 377.210 4.221 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000456787621 822830799 /nfs/dbraw/zinc/83/07/99/822830799.db2.gz QRSXSMBTYNFLQC-KZULUSFZSA-N -1 1 394.215 4.276 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1C ZINC000053333804 822830802 /nfs/dbraw/zinc/83/08/02/822830802.db2.gz XJCCAOIVCVYPTF-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM CCC(CC)(C(=O)Nc1ccc([O-])c(F)c1F)c1ccc(OC)c(OC)c1 ZINC000456789248 822831144 /nfs/dbraw/zinc/83/11/44/822831144.db2.gz UEWIATUUFANUJN-UHFFFAOYSA-N -1 1 379.403 4.384 20 0 GIADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000456844340 822837391 /nfs/dbraw/zinc/83/73/91/822837391.db2.gz SOECOXUIQLVFBS-MSOLQXFVSA-N -1 1 396.535 4.208 20 0 GIADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(Br)cc3[O-])C2)c1 ZINC000456918353 822841541 /nfs/dbraw/zinc/84/15/41/822841541.db2.gz FTFDTMRYAMWUDM-CTYIDZIISA-N -1 1 390.277 4.182 20 0 GIADMM Cc1ccc(CN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C2CC2)o1 ZINC000053989675 822855801 /nfs/dbraw/zinc/85/58/01/822855801.db2.gz WFHNTUSOLXBBIB-UHFFFAOYSA-N -1 1 396.516 4.399 20 0 GIADMM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(C(C)C)s3)cc2s1 ZINC000054275732 822872489 /nfs/dbraw/zinc/87/24/89/822872489.db2.gz QTBFDQPSRNGITR-UHFFFAOYSA-N -1 1 381.552 4.431 20 0 GIADMM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186402285 822888848 /nfs/dbraw/zinc/88/88/48/822888848.db2.gz CCUFJIJJEUKXLS-JTQLQIEISA-N -1 1 393.256 4.359 20 0 GIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000186489568 822903887 /nfs/dbraw/zinc/90/38/87/822903887.db2.gz SGTWYADLHILKBA-UHFFFAOYSA-N -1 1 395.786 4.177 20 0 GIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000186492156 822904285 /nfs/dbraw/zinc/90/42/85/822904285.db2.gz PYBYHGJWNYVUQO-UHFFFAOYSA-N -1 1 396.679 4.465 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(Cl)c1[O-] ZINC000186562490 822913483 /nfs/dbraw/zinc/91/34/83/822913483.db2.gz VWYRCWMQJPXORR-QGZVFWFLSA-N -1 1 387.867 4.448 20 0 GIADMM CCS[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175255436 822916011 /nfs/dbraw/zinc/91/60/11/822916011.db2.gz JKERGPAIYKSCBL-HZPDHXFCSA-N -1 1 390.578 4.097 20 0 GIADMM CC[N@@H+](CCc1ccccc1C(=O)[O-])Cc1cc(Br)ccc1F ZINC000569464373 822926030 /nfs/dbraw/zinc/92/60/30/822926030.db2.gz YUIMQXFPBVAHAY-UHFFFAOYSA-N -1 1 380.257 4.351 20 0 GIADMM N#CC(=C([O-])c1ccc(-n2ccnc2)nc1)c1nc2cc(Cl)ccc2s1 ZINC000186683017 822936535 /nfs/dbraw/zinc/93/65/35/822936535.db2.gz KLBNDQSNELXVAG-CYBMUJFWSA-N -1 1 379.832 4.020 20 0 GIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1)[C@@H]1C[C@H]1C ZINC000569544860 822937678 /nfs/dbraw/zinc/93/76/78/822937678.db2.gz CVMBIFXVEGKTSF-ADLMAVQZSA-N -1 1 396.871 4.041 20 0 GIADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000569611506 822944599 /nfs/dbraw/zinc/94/45/99/822944599.db2.gz GXDZUXGGKNNPBC-IBGZPJMESA-N -1 1 377.843 4.396 20 0 GIADMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)s1 ZINC000186730378 822946243 /nfs/dbraw/zinc/94/62/43/822946243.db2.gz CELLJPQBALCLLW-QMMMGPOBSA-N -1 1 398.859 4.206 20 0 GIADMM Cc1ccc(C)c(SCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055315679 822951413 /nfs/dbraw/zinc/95/14/13/822951413.db2.gz ZEPPGYBQEXSCOW-UHFFFAOYSA-N -1 1 383.513 4.223 20 0 GIADMM CCOc1cc(C(=O)NCCc2nc(C(C)(C)C)cs2)cc(Cl)c1[O-] ZINC000186784865 822954993 /nfs/dbraw/zinc/95/49/93/822954993.db2.gz IRKINMWZLVJQQY-UHFFFAOYSA-N -1 1 382.913 4.171 20 0 GIADMM CCOc1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc(Cl)c1[O-] ZINC000186839936 822965331 /nfs/dbraw/zinc/96/53/31/822965331.db2.gz YFUGCAFCICHUCL-UHFFFAOYSA-N -1 1 393.842 4.019 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186841626 822965738 /nfs/dbraw/zinc/96/57/38/822965738.db2.gz OWAVUWLPFYVPRP-SUMWQHHRSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)cc(Cl)c1[O-] ZINC000186845049 822966560 /nfs/dbraw/zinc/96/65/60/822966560.db2.gz ZAUDPRQFNFVVJP-UHFFFAOYSA-N -1 1 385.851 4.406 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc(Cl)c1[O-] ZINC000186853528 822968224 /nfs/dbraw/zinc/96/82/24/822968224.db2.gz IFQTZAHCRQPITO-UKRRQHHQSA-N -1 1 395.908 4.234 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000186867324 822971132 /nfs/dbraw/zinc/97/11/32/822971132.db2.gz ADGPPLLCDUIRNX-GOSISDBHSA-N -1 1 385.847 4.061 20 0 GIADMM O=C([O-])c1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(F)c1 ZINC000569818377 822972255 /nfs/dbraw/zinc/97/22/55/822972255.db2.gz RDCKAFKRXHDCRD-GFCCVEGCSA-N -1 1 388.386 4.379 20 0 GIADMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C(C)C)c1 ZINC000055587431 822982495 /nfs/dbraw/zinc/98/24/95/822982495.db2.gz UBMOKCWXSGOQRM-UHFFFAOYSA-N -1 1 388.533 4.436 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055601692 822986138 /nfs/dbraw/zinc/98/61/38/822986138.db2.gz UPMZAZSZVLFSOW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000055633303 822990154 /nfs/dbraw/zinc/99/01/54/822990154.db2.gz ARMWMSKAWXDAJR-UHFFFAOYSA-N -1 1 377.506 4.164 20 0 GIADMM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1 ZINC000055633143 822990262 /nfs/dbraw/zinc/99/02/62/822990262.db2.gz CVROPTBMSIAHAF-UHFFFAOYSA-N -1 1 377.849 4.451 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000569979496 822992564 /nfs/dbraw/zinc/99/25/64/822992564.db2.gz UICHCIWKWDYTQJ-UHFFFAOYSA-N -1 1 395.786 4.186 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000055651974 822993589 /nfs/dbraw/zinc/99/35/89/822993589.db2.gz NKKAYELZWZNVJR-UHFFFAOYSA-N -1 1 394.496 4.001 20 0 GIADMM CCSCC[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000175574644 823000679 /nfs/dbraw/zinc/00/06/79/823000679.db2.gz SQIADNDLKSQFKU-OAHLLOKOSA-N -1 1 392.594 4.296 20 0 GIADMM O=S(=O)([N-]c1cccc2c1CN(CC(F)(F)F)C2)c1ccc(Cl)cc1 ZINC000187143967 823017161 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Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)c1C ZINC000461184137 823594717 /nfs/dbraw/zinc/59/47/17/823594717.db2.gz BBAWGWPCTDOTTK-UHFFFAOYSA-N -1 1 395.406 4.309 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n(C)nc3c2)cc1Cl ZINC000461337670 823620233 /nfs/dbraw/zinc/62/02/33/823620233.db2.gz HUSPUARGVOSNLA-UHFFFAOYSA-N -1 1 381.910 4.058 20 0 GIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461337611 823620239 /nfs/dbraw/zinc/62/02/39/823620239.db2.gz DQSFENRGMXPYKO-YVWKXTFCSA-N -1 1 398.528 4.186 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000124890453 823634118 /nfs/dbraw/zinc/63/41/18/823634118.db2.gz MYSVERSVCAPYCX-RYRKJORJSA-N -1 1 384.549 4.486 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1C ZINC000063181209 823654703 /nfs/dbraw/zinc/65/47/03/823654703.db2.gz OASMUVYKIMFJEE-UHFFFAOYSA-N -1 1 396.896 4.196 20 0 GIADMM C[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000063341676 823664642 /nfs/dbraw/zinc/66/46/42/823664642.db2.gz LQSNBTRQJOEURW-ZDUSSCGKSA-N -1 1 388.414 4.185 20 0 GIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000461623151 823672138 /nfs/dbraw/zinc/67/21/38/823672138.db2.gz IISUJFODUZIGMB-QGZVFWFLSA-N -1 1 388.533 4.447 20 0 GIADMM COc1ccc(C(=O)N2CCCC2)cc1NCc1c([O-])ccc(Cl)c1F ZINC000191415101 823682643 /nfs/dbraw/zinc/68/26/43/823682643.db2.gz UFAZJIJDXZWCIQ-UHFFFAOYSA-N -1 1 378.831 4.041 20 0 GIADMM Cc1cc(C)c(Br)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000461702403 823683941 /nfs/dbraw/zinc/68/39/41/823683941.db2.gz OETJGRKTEWWNMM-UHFFFAOYSA-N -1 1 386.249 4.414 20 0 GIADMM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000063629534 823684881 /nfs/dbraw/zinc/68/48/81/823684881.db2.gz XLQUURDRDCKBLT-UHFFFAOYSA-N -1 1 395.333 4.107 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000063634893 823685358 /nfs/dbraw/zinc/68/53/58/823685358.db2.gz RPCFZFTVOHSESH-UHFFFAOYSA-N -1 1 395.496 4.268 20 0 GIADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000163476969 823713863 /nfs/dbraw/zinc/71/38/63/823713863.db2.gz SGXFEMZYSXUWCV-QAPCUYQASA-N -1 1 398.503 4.311 20 0 GIADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000574446768 823733049 /nfs/dbraw/zinc/73/30/49/823733049.db2.gz JFWXRLQYWZJVKR-UHFFFAOYSA-N -1 1 377.409 4.340 20 0 GIADMM CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163893003 823758226 /nfs/dbraw/zinc/75/82/26/823758226.db2.gz VJYJBRDFEOTSJH-OAHLLOKOSA-N -1 1 393.512 4.427 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1-c1ncco1 ZINC000164678999 823815697 /nfs/dbraw/zinc/81/56/97/823815697.db2.gz LUACDXAJYLNLOU-UHFFFAOYSA-N -1 1 398.362 4.349 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000064475173 823826241 /nfs/dbraw/zinc/82/62/41/823826241.db2.gz MVDVULWURRYVBL-UHFFFAOYSA-N -1 1 386.395 4.163 20 0 GIADMM CC[C@@H](C)Oc1ccccc1-c1cccc(-n2[nH]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000574927318 823861966 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O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000192275665 823928349 /nfs/dbraw/zinc/92/83/49/823928349.db2.gz NDKSJWGHAKJKRX-UHFFFAOYSA-N -1 1 385.851 4.379 20 0 GIADMM Cc1nc(-c2ccc(NCCCCOc3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000462373021 823947091 /nfs/dbraw/zinc/94/70/91/823947091.db2.gz ULRWNRIQCNQADB-UHFFFAOYSA-N -1 1 398.894 4.207 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)cc1 ZINC000065160447 823954020 /nfs/dbraw/zinc/95/40/20/823954020.db2.gz QTOZNPFTBISKLH-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)on1 ZINC000462392547 823957678 /nfs/dbraw/zinc/95/76/78/823957678.db2.gz MAWOWWQGQYDMMC-UHFFFAOYSA-N -1 1 394.390 4.215 20 0 GIADMM CSCCc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000170785824 823971517 /nfs/dbraw/zinc/97/15/17/823971517.db2.gz FRVKKEAMJPRCSB-UHFFFAOYSA-N -1 1 390.559 4.213 20 0 GIADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000414444242 823986655 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O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Cl)cc1F ZINC000016129504 206251016 /nfs/dbraw/zinc/25/10/16/206251016.db2.gz QWLIDIPJXHSJRT-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000016121991 207073571 /nfs/dbraw/zinc/07/35/71/207073571.db2.gz ZSJYJUHPOQHADI-UHFFFAOYSA-N -1 1 387.288 4.389 20 0 GIADMM O=C([O-])c1ccc2c(c1)nc(CN1CCC[C@H]1CCCc1ccccc1)[nH]c2=O ZINC000833325509 604678641 /nfs/dbraw/zinc/67/86/41/604678641.db2.gz QSYDLXMQQQHAAD-GOSISDBHSA-N -1 1 391.471 4.021 20 0 GIADMM O=C([O-])NC[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccc2ccccc2c1 ZINC000834208315 605976280 /nfs/dbraw/zinc/97/62/80/605976280.db2.gz TWKPEKPCBLXSTL-NRFANRHFSA-N -1 1 387.439 4.192 20 0 GIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000187438927 823064027 /nfs/dbraw/zinc/06/40/27/823064027.db2.gz SKKOQNVMBRSWTC-KZULUSFZSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1cscc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000175958527 823082116 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387.505 4.140 20 0 GIADMM Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000121162428 823129990 /nfs/dbraw/zinc/12/99/90/823129990.db2.gz QWGUYGPEVILEIJ-LJQANCHMSA-N -1 1 382.420 4.020 20 0 GIADMM O=S(=O)(CCCCF)[N-]c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000571121320 823135477 /nfs/dbraw/zinc/13/54/77/823135477.db2.gz HZASJQZEALCYSY-UHFFFAOYSA-N -1 1 376.375 4.259 20 0 GIADMM CCC(CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000176221816 823156100 /nfs/dbraw/zinc/15/61/00/823156100.db2.gz USPNZEWZDLWFKB-UHFFFAOYSA-N -1 1 396.896 4.221 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000176287738 823172989 /nfs/dbraw/zinc/17/29/89/823172989.db2.gz ZTRWXYVISRLKPV-UHFFFAOYSA-N -1 1 376.460 4.372 20 0 GIADMM CS[C@H]1CCCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000571488283 823190488 /nfs/dbraw/zinc/19/04/88/823190488.db2.gz GGIITQUFGQFVMA-NSHDSACASA-N -1 1 395.322 4.061 20 0 GIADMM CS[C@@H]1CCCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000571488281 823190543 /nfs/dbraw/zinc/19/05/43/823190543.db2.gz GGIITQUFGQFVMA-LLVKDONJSA-N -1 1 395.322 4.061 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000571502039 823192926 /nfs/dbraw/zinc/19/29/26/823192926.db2.gz BLDPODSBPPSALJ-JCGIZDLHSA-N -1 1 399.560 4.234 20 0 GIADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000176464719 823213278 /nfs/dbraw/zinc/21/32/78/823213278.db2.gz WPSWASDMDKZPIQ-LBPRGKRZSA-N -1 1 398.377 4.139 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@H](C)C3CC3)C3CC3)c2)c1 ZINC000056935336 823232669 /nfs/dbraw/zinc/23/26/69/823232669.db2.gz HUUZUBZWMHHBPS-MRXNPFEDSA-N -1 1 398.528 4.199 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000056934889 823232692 /nfs/dbraw/zinc/23/26/92/823232692.db2.gz HLCDDXKYMYKIRZ-INIZCTEOSA-N -1 1 398.528 4.199 20 0 GIADMM CC[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000121766217 823246317 /nfs/dbraw/zinc/24/63/17/823246317.db2.gz JVZNZTXCCORZTQ-RHSMWYFYSA-N -1 1 388.537 4.091 20 0 GIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000057122456 823251366 /nfs/dbraw/zinc/25/13/66/823251366.db2.gz ULTXRXCKQIZWEG-UHFFFAOYSA-N -1 1 384.457 4.233 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1)N1CCCCC1 ZINC000176640679 823255626 /nfs/dbraw/zinc/25/56/26/823255626.db2.gz UCGMSCDCARUFAU-UHFFFAOYSA-N -1 1 394.496 4.267 20 0 GIADMM O=C([O-])C1CCN([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)CC1 ZINC000003758315 817494155 /nfs/dbraw/zinc/49/41/55/817494155.db2.gz SASXITKVPCINJI-SFHVURJKSA-N -1 1 392.268 4.474 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)c1 ZINC000176693260 823269204 /nfs/dbraw/zinc/26/92/04/823269204.db2.gz BXBJFKLACROERP-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000005135010 817553275 /nfs/dbraw/zinc/55/32/75/817553275.db2.gz ICEOJGNOTAKPKY-UHFFFAOYSA-N -1 1 396.516 4.035 20 0 GIADMM Cc1ccc2c(CC(=O)OCc3cc(=O)oc4cc([O-])ccc34)coc2c1C ZINC000005301663 817570991 /nfs/dbraw/zinc/57/09/91/817570991.db2.gz MTWZACXUMZXYMS-UHFFFAOYSA-N -1 1 378.380 4.148 20 0 GIADMM Cn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccccc1Cl ZINC000005448315 817584819 /nfs/dbraw/zinc/58/48/19/817584819.db2.gz UJEJMWIYNPBLMI-UHFFFAOYSA-N -1 1 399.859 4.240 20 0 GIADMM CCS[C@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000176728408 823279173 /nfs/dbraw/zinc/27/91/73/823279173.db2.gz VHPKGCWYZZTMAJ-CVEARBPZSA-N -1 1 390.578 4.097 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)cc1 ZINC000007055997 817748877 /nfs/dbraw/zinc/74/88/77/817748877.db2.gz WPQOTKLAIASDIQ-UHFFFAOYSA-N -1 1 380.425 4.345 20 0 GIADMM COc1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000007387477 817828714 /nfs/dbraw/zinc/82/87/14/817828714.db2.gz ZPCMNNKKWQZKGO-BQYQJAHWSA-N -1 1 388.272 4.423 20 0 GIADMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000007405608 817832422 /nfs/dbraw/zinc/83/24/22/817832422.db2.gz RCFLSFOTXBFDOM-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM O=C([O-])c1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1Cl ZINC000572168696 823293717 /nfs/dbraw/zinc/29/37/17/823293717.db2.gz HVZXWKNAXAXHGX-UHFFFAOYSA-N -1 1 387.789 4.091 20 0 GIADMM FC(F)(F)CCN(CC1CC1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000176815874 823300314 /nfs/dbraw/zinc/30/03/14/823300314.db2.gz VOGQGIIPHKUQNH-UHFFFAOYSA-N -1 1 376.473 4.215 20 0 GIADMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000008033509 817986094 /nfs/dbraw/zinc/98/60/94/817986094.db2.gz YPUUZGVJWHCIJF-QGZVFWFLSA-N -1 1 394.496 4.021 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000008033388 817986144 /nfs/dbraw/zinc/98/61/44/817986144.db2.gz PKHLJHYPCBHOKL-UHFFFAOYSA-N -1 1 386.517 4.248 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000008205675 818018003 /nfs/dbraw/zinc/01/80/03/818018003.db2.gz OFXKUDRUTYBJRF-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000012488300 818164727 /nfs/dbraw/zinc/16/47/27/818164727.db2.gz LHJJMXKZZGEDIQ-UHFFFAOYSA-N -1 1 384.480 4.070 20 0 GIADMM COc1ccc(C(=O)C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000012741505 818180650 /nfs/dbraw/zinc/18/06/50/818180650.db2.gz GZSRADLAZSBTHD-UHFFFAOYSA-N -1 1 389.451 4.289 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2)c1 ZINC000015349481 818315192 /nfs/dbraw/zinc/31/51/92/818315192.db2.gz CHUHCSFTXXGICF-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c1C ZINC000015349244 818315228 /nfs/dbraw/zinc/31/52/28/818315228.db2.gz QKPKKQBEDJPDBZ-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000015419678 818324074 /nfs/dbraw/zinc/32/40/74/818324074.db2.gz XHCJUMGOTKPUSB-CQSZACIVSA-N -1 1 392.908 4.013 20 0 GIADMM O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015439543 818325771 /nfs/dbraw/zinc/32/57/71/818325771.db2.gz HKYXRURSXAAJDT-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)sc2C)c(C)c1 ZINC000122257420 823328810 /nfs/dbraw/zinc/32/88/10/823328810.db2.gz UDIIRAORHCVTRT-UHFFFAOYSA-N -1 1 390.324 4.327 20 0 GIADMM C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015796661 818367749 /nfs/dbraw/zinc/36/77/49/818367749.db2.gz RYRIQPUHHGPZNY-AWEZNQCLSA-N -1 1 392.908 4.155 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1c(C)cccc1C ZINC000016317197 818422518 /nfs/dbraw/zinc/42/25/18/818422518.db2.gz IVCOTSGKTIOCFK-UHFFFAOYSA-N -1 1 396.541 4.367 20 0 GIADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1c(Cl)cc(F)cc1Cl ZINC000409885704 823335967 /nfs/dbraw/zinc/33/59/67/823335967.db2.gz JDTRHWSVRSYGFC-UHFFFAOYSA-N -1 1 376.227 4.236 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cc1ccccc1 ZINC000016729699 818470421 /nfs/dbraw/zinc/47/04/21/818470421.db2.gz PGSXJFXNRSROLK-UHFFFAOYSA-N -1 1 395.480 4.289 20 0 GIADMM O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc([O-])cc1 ZINC000016872586 818485866 /nfs/dbraw/zinc/48/58/66/818485866.db2.gz WAMVOIPMHFELKE-UHFFFAOYSA-N -1 1 387.770 4.082 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1cccc(C(F)(F)F)c1 ZINC000017064720 818498330 /nfs/dbraw/zinc/49/83/30/818498330.db2.gz ZERZZPNDQOHBHB-UHFFFAOYSA-N -1 1 398.435 4.004 20 0 GIADMM Cc1ccc(-c2nc([N-]C(=O)c3c(F)cc(C(F)(F)F)cc3F)n[nH]2)cc1 ZINC000572446741 823340919 /nfs/dbraw/zinc/34/09/19/823340919.db2.gz FURWTWRGRQSFPL-UHFFFAOYSA-N -1 1 382.292 4.329 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCc2ccccc2)cc1 ZINC000017298482 818505950 /nfs/dbraw/zinc/50/59/50/818505950.db2.gz TXDABYBSEKLVNS-UHFFFAOYSA-N -1 1 380.517 4.055 20 0 GIADMM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc([O-])c(Br)c3)nc12 ZINC000018076449 818543081 /nfs/dbraw/zinc/54/30/81/818543081.db2.gz MSCCTWJDRUDELB-JYRVWZFOSA-N -1 1 391.652 4.437 20 0 GIADMM O=S(=O)([N-]c1cccc(O)c1F)c1cc(Cl)ccc1OCC1CCC1 ZINC000189048771 823348109 /nfs/dbraw/zinc/34/81/09/823348109.db2.gz OEDDIMHQOXOHML-UHFFFAOYSA-N -1 1 385.844 4.164 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3C)cc2)c1C ZINC000021893538 818752271 /nfs/dbraw/zinc/75/22/71/818752271.db2.gz DVRFBMUABDWVOM-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000021942020 818757988 /nfs/dbraw/zinc/75/79/88/818757988.db2.gz UIKXWLUERWAYCI-UHFFFAOYSA-N -1 1 376.437 4.317 20 0 GIADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000177084330 823366946 /nfs/dbraw/zinc/36/69/46/823366946.db2.gz RWMCOKHHJMRSJZ-UHFFFAOYSA-N -1 1 396.394 4.132 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000022416624 818803324 /nfs/dbraw/zinc/80/33/24/818803324.db2.gz FWVZJWIVKRSSSA-UHFFFAOYSA-N -1 1 378.255 4.434 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000023445091 818941693 /nfs/dbraw/zinc/94/16/93/818941693.db2.gz ZQCNKIHRRFIWOJ-MRXNPFEDSA-N -1 1 380.517 4.226 20 0 GIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)CCOc3ccc(F)cc3)ccc2o1 ZINC000460407701 823379190 /nfs/dbraw/zinc/37/91/90/823379190.db2.gz AEVYZQCIWODEBX-UHFFFAOYSA-N -1 1 392.452 4.085 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000024103328 819024653 /nfs/dbraw/zinc/02/46/53/819024653.db2.gz HHNNIOKRCUNSMK-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cnn(-c2ccccc2F)c1 ZINC000460419243 823382717 /nfs/dbraw/zinc/38/27/17/823382717.db2.gz IVSGWXFVRUICGK-UHFFFAOYSA-N -1 1 386.235 4.119 20 0 GIADMM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1Cl ZINC000024579302 819075432 /nfs/dbraw/zinc/07/54/32/819075432.db2.gz APMVSVHYFAFAGY-UHFFFAOYSA-N -1 1 386.235 4.064 20 0 GIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460427765 823385775 /nfs/dbraw/zinc/38/57/75/823385775.db2.gz QEPRKZXLMWCRIX-UHFFFAOYSA-N -1 1 388.533 4.022 20 0 GIADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000177160207 823387115 /nfs/dbraw/zinc/38/71/15/823387115.db2.gz FQBAPFSVJJFQFB-HNNXBMFYSA-N -1 1 381.451 4.482 20 0 GIADMM CN(Cc1nc2c(s1)CCCC2)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000177177485 823391967 /nfs/dbraw/zinc/39/19/67/823391967.db2.gz ILSCGTFJBMHDSD-UHFFFAOYSA-N -1 1 391.591 4.018 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000460456294 823395706 /nfs/dbraw/zinc/39/57/06/823395706.db2.gz GNSIVPMAAVKQAZ-SFHVURJKSA-N -1 1 389.517 4.343 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000460458205 823396154 /nfs/dbraw/zinc/39/61/54/823396154.db2.gz KGQVHNYUHQUJQY-IBGZPJMESA-N -1 1 375.490 4.169 20 0 GIADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000122884194 823428742 /nfs/dbraw/zinc/42/87/42/823428742.db2.gz UZZQLBGBYIXUHM-FQEVSTJZSA-N -1 1 385.423 4.177 20 0 GIADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000122956443 823439575 /nfs/dbraw/zinc/43/95/75/823439575.db2.gz JZAAAIUDGJTTNB-FQEVSTJZSA-N -1 1 385.423 4.177 20 0 GIADMM O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc([O-])cc1 ZINC000025399695 819975546 /nfs/dbraw/zinc/97/55/46/819975546.db2.gz GISQXOKMNVMOPJ-UHFFFAOYSA-N -1 1 388.452 4.010 20 0 GIADMM O=C(Nc1nc(C2CC2)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025562813 820003656 /nfs/dbraw/zinc/00/36/56/820003656.db2.gz XMRQGUHUZGZDOV-UHFFFAOYSA-N -1 1 399.497 4.074 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1OC ZINC000026534543 820110641 /nfs/dbraw/zinc/11/06/41/820110641.db2.gz WBLNIZFNWJTCQQ-UHFFFAOYSA-N -1 1 389.445 4.128 20 0 GIADMM CCc1cc2c(COC(=O)/C(C#N)=C\c3ccc(C)cc3)cc(=O)oc2cc1[O-] ZINC000058833489 823461061 /nfs/dbraw/zinc/46/10/61/823461061.db2.gz RDNPHHQFIVCDSD-IUXPMGMMSA-N -1 1 389.407 4.020 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)C(C)C)ccc2C)c1 ZINC000027232059 820213191 /nfs/dbraw/zinc/21/31/91/820213191.db2.gz OADIQWGGOBHKDA-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cccc(Cl)c1Cl ZINC000027385960 820236565 /nfs/dbraw/zinc/23/65/65/820236565.db2.gz CTVOGIAZGIISAF-UHFFFAOYSA-N -1 1 394.283 4.028 20 0 GIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)nc1 ZINC000027643049 820270487 /nfs/dbraw/zinc/27/04/87/820270487.db2.gz LWVAJZVKPSRYRI-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2)c1 ZINC000028090892 820310976 /nfs/dbraw/zinc/31/09/76/820310976.db2.gz NUOOFWUVTCRJSN-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CCOc1ccc(OC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000028323083 820324750 /nfs/dbraw/zinc/32/47/50/820324750.db2.gz BOTQQVKLLDICHC-UHFFFAOYSA-N -1 1 397.452 4.105 20 0 GIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1occc1Br ZINC000177482207 823472670 /nfs/dbraw/zinc/47/26/70/823472670.db2.gz AWQWOUDYMRLBJV-UHFFFAOYSA-N -1 1 398.669 4.390 20 0 GIADMM O=c1cc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c2ccc([O-])cc2o1 ZINC000028869672 820365498 /nfs/dbraw/zinc/36/54/98/820365498.db2.gz QBQCJQUEBZNZNZ-UHFFFAOYSA-N -1 1 385.832 4.229 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000029287192 820428438 /nfs/dbraw/zinc/42/84/38/820428438.db2.gz MSIGRGFPNPZOAR-GOSISDBHSA-N -1 1 393.516 4.065 20 0 GIADMM O=C(Nc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1)c1cccnc1 ZINC000029692786 820498542 /nfs/dbraw/zinc/49/85/42/820498542.db2.gz YJNJMDCWOMOZJI-UHFFFAOYSA-N -1 1 397.434 4.123 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c(C)c1 ZINC000410393800 823485340 /nfs/dbraw/zinc/48/53/40/823485340.db2.gz REIIXULXWAUDSQ-UHFFFAOYSA-N -1 1 390.686 4.220 20 0 GIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030380989 820608668 /nfs/dbraw/zinc/60/86/68/820608668.db2.gz WVANOOHGTSNSPI-OXJNMPFZSA-N -1 1 386.517 4.138 20 0 GIADMM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3F)cc12 ZINC000410417991 823491372 /nfs/dbraw/zinc/49/13/72/823491372.db2.gz MDGIVZSJBODRAQ-UHFFFAOYSA-N -1 1 390.223 4.032 20 0 GIADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000030476234 820621322 /nfs/dbraw/zinc/62/13/22/820621322.db2.gz JAPKZEILQMIBCO-UHFFFAOYSA-N -1 1 386.517 4.282 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000410419065 823491730 /nfs/dbraw/zinc/49/17/30/823491730.db2.gz PCVBFTMEZORRES-UHFFFAOYSA-N -1 1 375.881 4.158 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2N(C)C)c1 ZINC000030669289 820662117 /nfs/dbraw/zinc/66/21/17/820662117.db2.gz STXMZTXTJPUBBB-UHFFFAOYSA-N -1 1 381.505 4.011 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)[C@H](CC)c3ccccc3)n2)n[n-]c1=S ZINC000030689272 820666193 /nfs/dbraw/zinc/66/61/93/820666193.db2.gz HJIMASMQEAKGBK-OAHLLOKOSA-N -1 1 399.545 4.306 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000031069524 820733639 /nfs/dbraw/zinc/73/36/39/820733639.db2.gz ZXDYVLGUTDQILS-UHFFFAOYSA-N -1 1 392.528 4.497 20 0 GIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000060059877 823506094 /nfs/dbraw/zinc/50/60/94/823506094.db2.gz QCNIVJUYNWDIBM-UHFFFAOYSA-N -1 1 381.429 4.274 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000031667893 820841736 /nfs/dbraw/zinc/84/17/36/820841736.db2.gz RMGJMOGSGXRZDO-UHFFFAOYSA-N -1 1 393.921 4.334 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(Cl)c1 ZINC000031667916 820841959 /nfs/dbraw/zinc/84/19/59/820841959.db2.gz TWOUWKIPGCZFIC-UHFFFAOYSA-N -1 1 399.299 4.229 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)ccc1F ZINC000031715894 820850180 /nfs/dbraw/zinc/85/01/80/820850180.db2.gz SONVOOJKTAATRI-OAHLLOKOSA-N -1 1 392.496 4.051 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)cc1C ZINC000031716348 820850354 /nfs/dbraw/zinc/85/03/54/820850354.db2.gz PTJRQMLCHRCPCY-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C ZINC000031722577 820851862 /nfs/dbraw/zinc/85/18/62/820851862.db2.gz GOHQBCKKHDADNF-UHFFFAOYSA-N -1 1 375.368 4.011 20 0 GIADMM CS[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000031816382 820864994 /nfs/dbraw/zinc/86/49/94/820864994.db2.gz KXDATKMUDVGNST-GFCCVEGCSA-N -1 1 398.937 4.139 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000032064841 820892622 /nfs/dbraw/zinc/89/26/22/820892622.db2.gz CXACAPDGHKENNQ-CQSZACIVSA-N -1 1 394.924 4.401 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000032369576 820927293 /nfs/dbraw/zinc/92/72/93/820927293.db2.gz LIPKPNDCZGUPMS-UHFFFAOYSA-N -1 1 380.469 4.154 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1F ZINC000032589072 820973807 /nfs/dbraw/zinc/97/38/07/820973807.db2.gz NISNNSCMSYNALM-UHFFFAOYSA-N -1 1 378.450 4.067 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1C ZINC000032591332 820974506 /nfs/dbraw/zinc/97/45/06/820974506.db2.gz UQFMYGDNMHYRPG-UHFFFAOYSA-N -1 1 384.457 4.337 20 0 GIADMM Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000060401317 823523768 /nfs/dbraw/zinc/52/37/68/823523768.db2.gz QDBXJXGQXYHHRI-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC3CCCC3)c2)c1 ZINC000033054471 821029075 /nfs/dbraw/zinc/02/90/75/821029075.db2.gz FHICPTMKOGSDGZ-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc(C)c1F ZINC000460824294 823522860 /nfs/dbraw/zinc/52/28/60/823522860.db2.gz NLVGXAULYCUEPO-UHFFFAOYSA-N -1 1 391.386 4.493 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033181525 821044171 /nfs/dbraw/zinc/04/41/71/821044171.db2.gz VWXWAXPTJSYFAN-QFBILLFUSA-N -1 1 386.517 4.104 20 0 GIADMM O=S(=O)([N-]c1cccc(O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033890823 821061009 /nfs/dbraw/zinc/06/10/09/821061009.db2.gz KFPDRRQLOKEEFF-UHFFFAOYSA-N -1 1 385.285 4.231 20 0 GIADMM Cc1nc(NC(=O)c2cc3ccccc3[nH]2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123662491 823529893 /nfs/dbraw/zinc/52/98/93/823529893.db2.gz AZDVOKIDDDOLHC-UHFFFAOYSA-N -1 1 396.501 4.441 20 0 GIADMM O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000460880558 823535156 /nfs/dbraw/zinc/53/51/56/823535156.db2.gz KATOZZYJDAMZFJ-UHFFFAOYSA-N -1 1 398.406 4.058 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)c1ccc(F)c(Cl)c1 ZINC000060520725 823537976 /nfs/dbraw/zinc/53/79/76/823537976.db2.gz VQSUZODWHJUZEN-GFCCVEGCSA-N -1 1 391.830 4.081 20 0 GIADMM O=S(=O)([N-]c1ccccc1)c1cccc(NC(=S)Nc2ccccc2)c1 ZINC000042788776 821332935 /nfs/dbraw/zinc/33/29/35/821332935.db2.gz JSMFBKFHWHYQMS-UHFFFAOYSA-N -1 1 383.498 4.296 20 0 GIADMM O=C(Nc1ccc(F)cc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043262818 821382509 /nfs/dbraw/zinc/38/25/09/821382509.db2.gz NCWXRJHGZVBFLK-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM CC/C=C(\C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000180959576 821557158 /nfs/dbraw/zinc/55/71/58/821557158.db2.gz ZQXUXMYUWJPEFC-WUXMJOGZSA-N -1 1 394.880 4.141 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000181023487 821598994 /nfs/dbraw/zinc/59/89/94/821598994.db2.gz ZYNCVSWWGIZMTB-LLVKDONJSA-N -1 1 391.393 4.412 20 0 GIADMM CC[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(C)cc1 ZINC000181079067 821622144 /nfs/dbraw/zinc/62/21/44/821622144.db2.gz IBQZRXJJBGHQNY-AWEZNQCLSA-N -1 1 378.469 4.028 20 0 GIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1Cl ZINC000181202579 821694089 /nfs/dbraw/zinc/69/40/89/821694089.db2.gz GYQDLVPIWBRKJQ-UHFFFAOYSA-N -1 1 390.848 4.307 20 0 GIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccs1 ZINC000182052160 822074994 /nfs/dbraw/zinc/07/49/94/822074994.db2.gz KYZLMXOSMIFKGU-LBPRGKRZSA-N -1 1 383.391 4.350 20 0 GIADMM O=C(CCc1ccc(Cl)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045059943 822360682 /nfs/dbraw/zinc/36/06/82/822360682.db2.gz LRIPJOWPGNTVNF-UHFFFAOYSA-N -1 1 377.893 4.161 20 0 GIADMM COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045120284 822363793 /nfs/dbraw/zinc/36/37/93/822363793.db2.gz BBXSRKQHYDLGDN-INIZCTEOSA-N -1 1 396.487 4.075 20 0 GIADMM CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc([O-])c(Cl)c3)c2C1 ZINC000182866906 822382066 /nfs/dbraw/zinc/38/20/66/822382066.db2.gz SGJWJEAEOMEEFX-UHFFFAOYSA-N -1 1 381.863 4.224 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000182869654 822382784 /nfs/dbraw/zinc/38/27/84/822382784.db2.gz HYOFGIYDIFAQLY-UHFFFAOYSA-N -1 1 397.862 4.155 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182873278 822383580 /nfs/dbraw/zinc/38/35/80/822383580.db2.gz ZKLUCGXOZZTAAK-MRVPVSSYSA-N -1 1 375.778 4.163 20 0 GIADMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182900381 822389091 /nfs/dbraw/zinc/38/90/91/822389091.db2.gz XBCHZPPRBJWMCE-GFCCVEGCSA-N -1 1 392.249 4.072 20 0 GIADMM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000182921025 822392971 /nfs/dbraw/zinc/39/29/71/822392971.db2.gz MONAYIGIMRJUHX-SECBINFHSA-N -1 1 385.283 4.188 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000045867800 822420160 /nfs/dbraw/zinc/42/01/60/822420160.db2.gz ZIZKOHFETTYLIY-UHFFFAOYSA-N -1 1 399.369 4.139 20 0 GIADMM COc1cc(C(=O)[N-]c2nc(-c3cc(Cl)sc3Cl)cs2)on1 ZINC000183405368 822469181 /nfs/dbraw/zinc/46/91/81/822469181.db2.gz NVFTWASJOXLSHZ-UHFFFAOYSA-N -1 1 376.246 4.427 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1Cl ZINC000046588318 822488971 /nfs/dbraw/zinc/48/89/71/822488971.db2.gz OOJLLDLOOBIRDU-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM CC(C)CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C(C)C ZINC000179502539 822492334 /nfs/dbraw/zinc/49/23/34/822492334.db2.gz ZBIHUUJUSNKJJW-UHFFFAOYSA-N -1 1 376.375 4.010 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2oc3ccccc3c2C)c(=O)[n-]1 ZINC000046651588 822498828 /nfs/dbraw/zinc/49/88/28/822498828.db2.gz CPYQNVPUULXEHV-ZDUSSCGKSA-N -1 1 385.489 4.077 20 0 GIADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(COc2ccc(F)cc2)o1 ZINC000046757742 822513852 /nfs/dbraw/zinc/51/38/52/822513852.db2.gz IKEYEIWYOBLMTI-UHFFFAOYSA-N -1 1 396.403 4.164 20 0 GIADMM O=C(C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000179777750 822550860 /nfs/dbraw/zinc/55/08/60/822550860.db2.gz OHSDMTRGZBSVBS-HNNXBMFYSA-N -1 1 388.261 4.032 20 0 GIADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)c(C)c1C ZINC000047211977 822554755 /nfs/dbraw/zinc/55/47/55/822554755.db2.gz SYGKMECCLWUYBA-UHFFFAOYSA-N -1 1 389.521 4.123 20 0 GIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000184032433 822567870 /nfs/dbraw/zinc/56/78/70/822567870.db2.gz WCYYTFJTURPNDT-UHFFFAOYSA-N -1 1 398.509 4.094 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179916203 822576488 /nfs/dbraw/zinc/57/64/88/822576488.db2.gz AAIPGGQOIZZBOF-FPOVZHCZSA-N -1 1 379.431 4.413 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000179916352 822576506 /nfs/dbraw/zinc/57/65/06/822576506.db2.gz WUASRDUGNGTBJV-GHTZIAJQSA-N -1 1 379.431 4.413 20 0 GIADMM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000047432294 822578644 /nfs/dbraw/zinc/57/86/44/822578644.db2.gz YENRJTYMKNARLS-UHFFFAOYSA-N -1 1 382.847 4.262 20 0 GIADMM Cc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184151465 822586418 /nfs/dbraw/zinc/58/64/18/822586418.db2.gz DRVJTCKJNBWNKV-UHFFFAOYSA-N -1 1 381.457 4.440 20 0 GIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000180147743 822626720 /nfs/dbraw/zinc/62/67/20/822626720.db2.gz JMDLQJOKFDUGFV-UHFFFAOYSA-N -1 1 398.484 4.254 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c2ccccc12 ZINC000180183097 822634305 /nfs/dbraw/zinc/63/43/05/822634305.db2.gz OGGBNKZQEIVCOM-UHFFFAOYSA-N -1 1 391.452 4.147 20 0 GIADMM COc1ccccc1COC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000180285008 822655235 /nfs/dbraw/zinc/65/52/35/822655235.db2.gz SJFYJSXOEPDWPW-UHFFFAOYSA-N -1 1 391.467 4.375 20 0 GIADMM Cc1nc(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2)o1 ZINC000184653615 822671110 /nfs/dbraw/zinc/67/11/10/822671110.db2.gz VXNYDEUAZGGNSI-UHFFFAOYSA-N -1 1 390.226 4.032 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCc2cc(Br)ccc21 ZINC000049342627 822699595 /nfs/dbraw/zinc/69/95/95/822699595.db2.gz XSEBVXIRCSOKBW-UHFFFAOYSA-N -1 1 397.066 4.120 20 0 GIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)[C@H]2CCCC[C@H]12 ZINC000180556054 822701584 /nfs/dbraw/zinc/70/15/84/822701584.db2.gz GPWMBQVCXWXHJM-HBGVWJBISA-N -1 1 398.528 4.138 20 0 GIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000180594780 822707895 /nfs/dbraw/zinc/70/78/95/822707895.db2.gz WSARDRFOWMNWKP-DIFFPNOSSA-N -1 1 383.341 4.152 20 0 GIADMM COC(=O)c1coc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c1 ZINC000184934648 822715470 /nfs/dbraw/zinc/71/54/70/822715470.db2.gz DZDNCWHNRGCJNA-UHFFFAOYSA-N -1 1 375.780 4.329 20 0 GIADMM O=S(=O)([N-]Cc1cccc2ccccc21)c1sccc1Br ZINC000050197951 822721547 /nfs/dbraw/zinc/72/15/47/822721547.db2.gz WLXMCCMRWKDUAL-UHFFFAOYSA-N -1 1 382.304 4.142 20 0 GIADMM Cc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455772874 822723712 /nfs/dbraw/zinc/72/37/12/822723712.db2.gz AAPGNTZRJYBIID-HNNXBMFYSA-N -1 1 387.505 4.060 20 0 GIADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1F ZINC000185048643 822729109 /nfs/dbraw/zinc/72/91/09/822729109.db2.gz LZUXWWSXEZMMHS-AWEZNQCLSA-N -1 1 397.475 4.312 20 0 GIADMM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000185055487 822729980 /nfs/dbraw/zinc/72/99/80/822729980.db2.gz NWQBVQJAZXIAOP-INIZCTEOSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000185056945 822730301 /nfs/dbraw/zinc/73/03/01/822730301.db2.gz JLLQMFWQNMTXEU-UHFFFAOYSA-N -1 1 385.876 4.130 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccccc1 ZINC000185059178 822730691 /nfs/dbraw/zinc/73/06/91/822730691.db2.gz HDGHSWDEXLHMNX-AEFFLSMTSA-N -1 1 397.544 4.019 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nc1-c1ccccc1 ZINC000185059223 822730704 /nfs/dbraw/zinc/73/07/04/822730704.db2.gz HDGHSWDEXLHMNX-SJLPKXTDSA-N -1 1 397.544 4.019 20 0 GIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000050533948 822732798 /nfs/dbraw/zinc/73/27/98/822732798.db2.gz OCDXVGKNRYZGTC-UHFFFAOYSA-N -1 1 396.512 4.335 20 0 GIADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc4[n-]c(=S)oc4c3)[nH]c2c1 ZINC000174386339 822781829 /nfs/dbraw/zinc/78/18/29/822781829.db2.gz AKXAXHSDXXSSNP-INIZCTEOSA-N -1 1 378.457 4.279 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000185659605 822807683 /nfs/dbraw/zinc/80/76/83/822807683.db2.gz HMOSULVGDYISAU-UHFFFAOYSA-N -1 1 387.483 4.246 20 0 GIADMM CCOC(=O)C1=C(NC(=O)C(=O)c2ccc(C)cc2)[N-]c2ccccc2N=C1C ZINC000052737503 822809049 /nfs/dbraw/zinc/80/90/49/822809049.db2.gz HBHFIXWQGQUMFP-UHFFFAOYSA-N -1 1 391.427 4.127 20 0 GIADMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(F)F ZINC000053091063 822821316 /nfs/dbraw/zinc/82/13/16/822821316.db2.gz ZILBMTZDJAIQAW-YWEYNIOJSA-N -1 1 396.234 4.388 20 0 GIADMM Cc1c2cccc(C)c2oc1C(=O)[N-]n1cnc2sc3c(c2c1=O)CCCC3 ZINC000053150871 822823667 /nfs/dbraw/zinc/82/36/67/822823667.db2.gz PKXVLGXMFGMGDO-UHFFFAOYSA-N -1 1 393.468 4.084 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)ccc1C ZINC000174756728 822833144 /nfs/dbraw/zinc/83/31/44/822833144.db2.gz CEGDNZIUCHUDAU-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)o1 ZINC000174767318 822834393 /nfs/dbraw/zinc/83/43/93/822834393.db2.gz JKHHVZLHZWKPER-UHFFFAOYSA-N -1 1 397.378 4.119 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCC2(CCCC2)C1 ZINC000174848285 822845939 /nfs/dbraw/zinc/84/59/39/822845939.db2.gz CLCSZOJWXLLNSL-UHFFFAOYSA-N -1 1 376.913 4.054 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000174976182 822863420 /nfs/dbraw/zinc/86/34/20/822863420.db2.gz NEGMUNXWMKPDCZ-MRXNPFEDSA-N -1 1 388.537 4.091 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000174984504 822864368 /nfs/dbraw/zinc/86/43/68/822864368.db2.gz AQILWKVVMZHALE-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000569226465 822894509 /nfs/dbraw/zinc/89/45/09/822894509.db2.gz HMYXQQFDFWNLSU-RBSFLKMASA-N -1 1 388.464 4.001 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccccc3)c2)c(=O)[n-]1 ZINC000054566110 822895605 /nfs/dbraw/zinc/89/56/05/822895605.db2.gz MBOSQAZVSNXZJM-UHFFFAOYSA-N -1 1 395.484 4.164 20 0 GIADMM CCCC(=O)Nc1cccc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000186629322 822926082 /nfs/dbraw/zinc/92/60/82/822926082.db2.gz YCRJVXXTEBAQBA-UHFFFAOYSA-N -1 1 390.867 4.113 20 0 GIADMM CC(C)c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)nn1-c1ccccc1F ZINC000175304060 822929814 /nfs/dbraw/zinc/92/98/14/822929814.db2.gz AZWXLSUVRQUWBZ-UHFFFAOYSA-N -1 1 378.329 4.199 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1cccc(Br)c1 ZINC000569635264 822948007 /nfs/dbraw/zinc/94/80/07/822948007.db2.gz VJZPCWDJLCNDPY-UHFFFAOYSA-N -1 1 389.274 4.312 20 0 GIADMM CC1(C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]2CCC[C@@H]21 ZINC000569641412 822948738 /nfs/dbraw/zinc/94/87/38/822948738.db2.gz LOFUPQAAEKDTQD-PMACEKPBSA-N -1 1 398.528 4.138 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](COCC(C)C)c2ccco2)cc(Cl)c1[O-] ZINC000186747101 822948971 /nfs/dbraw/zinc/94/89/71/822948971.db2.gz AWGHJJDVCGGKCC-HNNXBMFYSA-N -1 1 381.856 4.181 20 0 GIADMM CCC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000055317989 822951647 /nfs/dbraw/zinc/95/16/47/822951647.db2.gz XOUVRPPKSBNZIE-UHFFFAOYSA-N -1 1 388.414 4.185 20 0 GIADMM CCOc1cc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc(Cl)c1[O-] ZINC000186771786 822952755 /nfs/dbraw/zinc/95/27/55/822952755.db2.gz ZSCDOVVLURCSIH-UHFFFAOYSA-N -1 1 392.858 4.300 20 0 GIADMM O=C([O-])c1ccc(-c2nc(CN3CCC(Cc4ccccc4)CC3)co2)cc1 ZINC000569731975 822959967 /nfs/dbraw/zinc/95/99/67/822959967.db2.gz CALKQTXBDVPTMK-UHFFFAOYSA-N -1 1 376.456 4.495 20 0 GIADMM CC(C)c1ccc(-c2ncc(CN3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)s2)cc1 ZINC000569763506 822965183 /nfs/dbraw/zinc/96/51/83/822965183.db2.gz DHGLIDODOSWEPD-MRXNPFEDSA-N -1 1 383.521 4.137 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc(Cl)c1[O-] ZINC000186853448 822968202 /nfs/dbraw/zinc/96/82/02/822968202.db2.gz IRLKKSBADRDBOO-CYBMUJFWSA-N -1 1 393.892 4.383 20 0 GIADMM CN(Cc1cc2ccccc2o1)C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000175456612 822973683 /nfs/dbraw/zinc/97/36/83/822973683.db2.gz VRXAGPWPGGTNBM-UHFFFAOYSA-N -1 1 398.513 4.464 20 0 GIADMM CCOc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2C)cc(Cl)c1[O-] ZINC000186885196 822974674 /nfs/dbraw/zinc/97/46/74/822974674.db2.gz VDAQLWNGHBDHSB-UHFFFAOYSA-N -1 1 389.814 4.330 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 ZINC000055594019 822984668 /nfs/dbraw/zinc/98/46/68/822984668.db2.gz ZFZSKDCNRLHLBT-UHFFFAOYSA-N -1 1 390.480 4.454 20 0 GIADMM CCOc1cc(C(=O)Nc2ccccc2-c2n[nH]c(CC)n2)cc(Cl)c1[O-] ZINC000186951680 822985638 /nfs/dbraw/zinc/98/56/38/822985638.db2.gz LTVSFOHSPNVGOB-UHFFFAOYSA-N -1 1 386.839 4.044 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)cc1F ZINC000055615551 822987501 /nfs/dbraw/zinc/98/75/01/822987501.db2.gz LVCHIYLCUWAEEC-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1)c1ccccc1 ZINC000055619802 822988497 /nfs/dbraw/zinc/98/84/97/822988497.db2.gz POBXMFXQFBGCSZ-UHFFFAOYSA-N -1 1 392.480 4.228 20 0 GIADMM CC[C@H](C)Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000055641025 822991110 /nfs/dbraw/zinc/99/11/10/822991110.db2.gz LVEYMGVCECOODH-LBPRGKRZSA-N -1 1 388.518 4.485 20 0 GIADMM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000055643627 822991321 /nfs/dbraw/zinc/99/13/21/822991321.db2.gz ROWGSQQOIKXQCA-UHFFFAOYSA-N -1 1 390.288 4.128 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000055650934 822993211 /nfs/dbraw/zinc/99/32/11/822993211.db2.gz XDXLLDGBVPJIDZ-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000055651393 822993330 /nfs/dbraw/zinc/99/33/30/822993330.db2.gz XNMPDHFZZNWDBA-MRXNPFEDSA-N -1 1 386.517 4.064 20 0 GIADMM O=S(=O)([N-]c1ccccc1Cn1cncn1)c1ccc(C2CCCCC2)cc1 ZINC000055686655 822999207 /nfs/dbraw/zinc/99/92/07/822999207.db2.gz TVXKVESCVZZIOK-UHFFFAOYSA-N -1 1 396.516 4.175 20 0 GIADMM CC1(C)CCC(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)CC1 ZINC000175630523 823009809 /nfs/dbraw/zinc/00/98/09/823009809.db2.gz DKBNHPDSOCLCAT-UHFFFAOYSA-N -1 1 378.929 4.346 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000187302308 823039810 /nfs/dbraw/zinc/03/98/10/823039810.db2.gz HIMFLTKYFVFMFR-UHFFFAOYSA-N -1 1 377.516 4.053 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCc2cc3ccccc3o2)c1 ZINC000124028102 823561156 /nfs/dbraw/zinc/56/11/56/823561156.db2.gz MTQGVSSHNDBYEO-UHFFFAOYSA-N -1 1 392.484 4.021 20 0 GIADMM O=c1nc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)[n-]c2ccsc21 ZINC000411731767 823600781 /nfs/dbraw/zinc/60/07/81/823600781.db2.gz MCNYQOXPOGDPLT-AWEZNQCLSA-N -1 1 385.880 4.264 20 0 GIADMM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(F)ccc([O-])c1F ZINC000461231516 823601818 /nfs/dbraw/zinc/60/18/18/823601818.db2.gz APXQDSZLKNTBQV-UHFFFAOYSA-N -1 1 383.276 4.127 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@H]1C(F)(F)F ZINC000190749426 823604905 /nfs/dbraw/zinc/60/49/05/823604905.db2.gz VLKUSHCCYAINJJ-GFCCVEGCSA-N -1 1 380.204 4.205 20 0 GIADMM COC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1C ZINC000124643271 823613625 /nfs/dbraw/zinc/61/36/25/823613625.db2.gz RWYFJQOEMSRZCE-GOSISDBHSA-N -1 1 380.469 4.060 20 0 GIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(CC(C)C)nc2C)cc1 ZINC000190839167 823614853 /nfs/dbraw/zinc/61/48/53/823614853.db2.gz XYARYUBWHGXAGE-SFHVURJKSA-N -1 1 381.476 4.485 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)ccc12 ZINC000461339941 823620567 /nfs/dbraw/zinc/62/05/67/823620567.db2.gz GPZMZFHMWGQZCG-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM C[C@H]1CC[C@@H](C(=O)Nc2cc([O-])c(Br)cc2Br)C1 ZINC000412295998 823644112 /nfs/dbraw/zinc/64/41/12/823644112.db2.gz YFUBAULZVBBLJC-JGVFFNPUSA-N -1 1 377.076 4.292 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)cc1 ZINC000461489068 823647152 /nfs/dbraw/zinc/64/71/52/823647152.db2.gz NCFSTNPLZNARRV-LAUBAEHRSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2)cc1 ZINC000461490092 823647413 /nfs/dbraw/zinc/64/74/13/823647413.db2.gz RTZACTOJXMVVAG-UWJYYQICSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)cc2)cc1 ZINC000461490089 823647428 /nfs/dbraw/zinc/64/74/28/823647428.db2.gz RTZACTOJXMVVAG-DYESRHJHSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)c1 ZINC000063181493 823654645 /nfs/dbraw/zinc/65/46/45/823654645.db2.gz SCKAEMNWDUMXMH-UHFFFAOYSA-N -1 1 376.478 4.309 20 0 GIADMM CCCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000125442041 823676504 /nfs/dbraw/zinc/67/65/04/823676504.db2.gz GODBDSAFKSZHNE-UHFFFAOYSA-N -1 1 382.460 4.308 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000063635052 823685542 /nfs/dbraw/zinc/68/55/42/823685542.db2.gz SIKLQFYIHNXGEZ-UHFFFAOYSA-N -1 1 377.506 4.129 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)c(=O)[n-]1 ZINC000125633525 823691876 /nfs/dbraw/zinc/69/18/76/823691876.db2.gz CDOCCCGNIHGFNI-LJQANCHMSA-N -1 1 399.560 4.050 20 0 GIADMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000574348579 823706177 /nfs/dbraw/zinc/70/61/77/823706177.db2.gz DAFKWYAMQZNQDV-UHFFFAOYSA-N -1 1 382.272 4.288 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC3CCCC3)cc2)cc1 ZINC000064088855 823744320 /nfs/dbraw/zinc/74/43/20/823744320.db2.gz LJKLUONQMOCUHT-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(CC(F)(F)F)cc1 ZINC000191758070 823758916 /nfs/dbraw/zinc/75/89/16/823758916.db2.gz WJYHIKATGDZZPK-UHFFFAOYSA-N -1 1 384.423 4.192 20 0 GIADMM Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163901216 823758833 /nfs/dbraw/zinc/75/88/33/823758833.db2.gz QTFFJBMHYQRWSO-UHFFFAOYSA-N -1 1 399.903 4.438 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c2cccnc12 ZINC000191779397 823765681 /nfs/dbraw/zinc/76/56/81/823765681.db2.gz LWBHMCNJMUBSJF-UHFFFAOYSA-N -1 1 396.390 4.149 20 0 GIADMM O=C(CS[C@@H]1CCCc2ccccc21)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000064331816 823794962 /nfs/dbraw/zinc/79/49/62/823794962.db2.gz CNQBTNDOOWFDMD-QGZVFWFLSA-N -1 1 391.439 4.355 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000126186322 823807821 /nfs/dbraw/zinc/80/78/21/823807821.db2.gz HIOACFFZGSCQMT-UHFFFAOYSA-N -1 1 392.908 4.252 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000064476480 823826555 /nfs/dbraw/zinc/82/65/55/823826555.db2.gz HTIHQCBHMRSTKK-UHFFFAOYSA-N -1 1 397.456 4.023 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)c1C ZINC000574788240 823826631 /nfs/dbraw/zinc/82/66/31/823826631.db2.gz UINFTZHADBLLKW-UHFFFAOYSA-N -1 1 375.490 4.260 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478400 823827161 /nfs/dbraw/zinc/82/71/61/823827161.db2.gz KUVZAONYPSOKHE-UHFFFAOYSA-N -1 1 399.443 4.408 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(F)ccc1Cl ZINC000169091542 823908233 /nfs/dbraw/zinc/90/82/33/823908233.db2.gz ZLYQQPHRIQOYRB-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937607 823915552 /nfs/dbraw/zinc/91/55/52/823915552.db2.gz RWAHWAGFDFGJLS-UHFFFAOYSA-N -1 1 390.408 4.058 20 0 GIADMM CCn1cc(S(=O)(=O)Nc2c(C)cc(Cl)c3ccccc32)cc1C(=O)[O-] ZINC000462360473 823940790 /nfs/dbraw/zinc/94/07/90/823940790.db2.gz PNPZZTFONWVPMO-UHFFFAOYSA-N -1 1 392.864 4.122 20 0 GIADMM Cc1nc(-c2ccc(N[C@H]3CCCOc4ccc(F)cc43)nc2)[n-]c(=O)c1C ZINC000462381939 823951966 /nfs/dbraw/zinc/95/19/66/823951966.db2.gz TXEZZHOBAZELOH-KRWDZBQOSA-N -1 1 380.423 4.326 20 0 GIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc(Br)c3)c2)n1 ZINC000126822018 823959467 /nfs/dbraw/zinc/95/94/67/823959467.db2.gz CVLLZTURZIJQDV-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)on1 ZINC000462413282 823965355 /nfs/dbraw/zinc/96/53/55/823965355.db2.gz VCSZYNKTHMQGPE-UHFFFAOYSA-N -1 1 391.518 4.180 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1 ZINC000414372692 823967872 /nfs/dbraw/zinc/96/78/72/823967872.db2.gz KOAPGABEURSHBA-DEOSSOPVSA-N -1 1 377.531 4.178 20 0 GIADMM CCNC(=O)Nc1c(C)cccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000414385467 823970911 /nfs/dbraw/zinc/97/09/11/823970911.db2.gz RPHGVOWAABUPGK-UHFFFAOYSA-N -1 1 389.521 4.171 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2)c1C ZINC000008287809 209133806 /nfs/dbraw/zinc/13/38/06/209133806.db2.gz RKVBOFLUQDDCJB-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3F)c2)c1 ZINC000007129328 209129115 /nfs/dbraw/zinc/12/91/15/209129115.db2.gz JZNQSFIHDSCIOR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2C(F)(F)F)cc1 ZINC000014205459 207016765 /nfs/dbraw/zinc/01/67/65/207016765.db2.gz HTCFEINDORHVNT-UHFFFAOYSA-N -1 1 386.395 4.027 20 0 GIADMM C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015796621 207062685 /nfs/dbraw/zinc/06/26/85/207062685.db2.gz QJYBJQSZAYASJO-AWEZNQCLSA-N -1 1 392.908 4.155 20 0 GIADMM CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843579 823053104 /nfs/dbraw/zinc/05/31/04/823053104.db2.gz PHTWYTLBXSTLPG-UHFFFAOYSA-N -1 1 396.896 4.221 20 0 GIADMM O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000055996893 823076556 /nfs/dbraw/zinc/07/65/56/823076556.db2.gz FVXMAERGLDMFQS-UHFFFAOYSA-N -1 1 398.397 4.463 20 0 GIADMM COC(=O)c1c[n-]c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000187583312 823092696 /nfs/dbraw/zinc/09/26/96/823092696.db2.gz OLSFLICTMLPMBY-MRVPVSSYSA-N -1 1 398.366 4.118 20 0 GIADMM COC(=O)c1cnc(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000187583312 823092694 /nfs/dbraw/zinc/09/26/94/823092694.db2.gz OLSFLICTMLPMBY-MRVPVSSYSA-N -1 1 398.366 4.118 20 0 GIADMM O=C([O-])[C@H]1CC12CCN([C@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000571053314 823125641 /nfs/dbraw/zinc/12/56/41/823125641.db2.gz IHSUKZQBIJCPCM-MOPGFXCFSA-N -1 1 389.455 4.013 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000176144704 823134915 /nfs/dbraw/zinc/13/49/15/823134915.db2.gz WICZHEBLQSSNSB-UHFFFAOYSA-N -1 1 382.489 4.115 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 ZINC000176259193 823165224 /nfs/dbraw/zinc/16/52/24/823165224.db2.gz AERUNKVMBZBOQZ-UHFFFAOYSA-N -1 1 399.560 4.165 20 0 GIADMM O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cc(F)ccc1F ZINC000061693088 823608432 /nfs/dbraw/zinc/60/84/32/823608432.db2.gz ZCJQCOUNKJVNEP-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Cc1c2ccccc2nc(N2CCN([C@@H](C)c3ccsc3)CC2)c1C(=O)[O-] ZINC000571644750 823213870 /nfs/dbraw/zinc/21/38/70/823213870.db2.gz FBBZSLCCFFHVGJ-HNNXBMFYSA-N -1 1 381.501 4.186 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000176473936 823216074 /nfs/dbraw/zinc/21/60/74/823216074.db2.gz YNAGQQKDVBJCPK-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000121740863 823240978 /nfs/dbraw/zinc/24/09/78/823240978.db2.gz IJGIEMJBURPSPX-UHFFFAOYSA-N -1 1 396.468 4.025 20 0 GIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000121761912 823245223 /nfs/dbraw/zinc/24/52/23/823245223.db2.gz BPDWUALYFLZWIF-DOMZBBRYSA-N -1 1 378.929 4.346 20 0 GIADMM O=C(CCCc1nccs1)Nc1c([O-])cc(Br)cc1Cl ZINC000571959530 823260575 /nfs/dbraw/zinc/26/05/75/823260575.db2.gz CTHZISBMKIGLSD-UHFFFAOYSA-N -1 1 375.675 4.226 20 0 GIADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)cc2s1 ZINC000005127162 817553007 /nfs/dbraw/zinc/55/30/07/817553007.db2.gz OUFDUPDFHYHKQD-UHFFFAOYSA-N -1 1 397.319 4.476 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccccc1F ZINC000005174364 817557495 /nfs/dbraw/zinc/55/74/95/817557495.db2.gz ZUYRJDLWUYHXMB-UHFFFAOYSA-N -1 1 380.400 4.148 20 0 GIADMM O=C([O-])c1ccc(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000572049724 823274263 /nfs/dbraw/zinc/27/42/63/823274263.db2.gz XAXDVQNWCZPHBF-UHFFFAOYSA-N -1 1 395.286 4.268 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2CCC2CCCCC2)c(=O)[n-]1 ZINC000121924462 823277979 /nfs/dbraw/zinc/27/79/79/823277979.db2.gz XJICFLKGTMZTDU-KRWDZBQOSA-N -1 1 391.581 4.084 20 0 GIADMM Cc1cc2occ(CC(=O)OCc3cc(=O)oc4cc([O-])ccc34)c2cc1C ZINC000005628081 817602036 /nfs/dbraw/zinc/60/20/36/817602036.db2.gz BMXAPHRBJVZIHH-UHFFFAOYSA-N -1 1 378.380 4.148 20 0 GIADMM O=C(Cc1ccc(Cl)cc1Cl)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000006353820 817682428 /nfs/dbraw/zinc/68/24/28/817682428.db2.gz PTUNFNLQYUNBTG-UHFFFAOYSA-N -1 1 379.195 4.091 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000057373431 823283905 /nfs/dbraw/zinc/28/39/05/823283905.db2.gz IVRABVIRPGPJHU-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000007054070 817747954 /nfs/dbraw/zinc/74/79/54/817747954.db2.gz DEVAXHPMSSRXJP-MRXNPFEDSA-N -1 1 388.533 4.483 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCCC3)c2)c1 ZINC000007124692 817767614 /nfs/dbraw/zinc/76/76/14/817767614.db2.gz JPFIRWJLEYSJLZ-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007174536 817781645 /nfs/dbraw/zinc/78/16/45/817781645.db2.gz CYPJHTAUTHMBCG-UHFFFAOYSA-N -1 1 388.876 4.141 20 0 GIADMM CSc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000007259344 817806422 /nfs/dbraw/zinc/80/64/22/817806422.db2.gz CHPQPCPLEYXMBA-UHFFFAOYSA-N -1 1 398.509 4.462 20 0 GIADMM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000057432511 823296239 /nfs/dbraw/zinc/29/62/39/823296239.db2.gz ZVAFTRDEIWNKNO-UHFFFAOYSA-N -1 1 383.425 4.051 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3O)c2)cc1 ZINC000008033671 817986792 /nfs/dbraw/zinc/98/67/92/817986792.db2.gz HVXKYSRWEUOHMT-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)c1C ZINC000008202520 818017502 /nfs/dbraw/zinc/01/75/02/818017502.db2.gz NERLHABSFHFKHN-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000008202670 818017521 /nfs/dbraw/zinc/01/75/21/818017521.db2.gz HWHXASFQYOAASA-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000011448656 818082845 /nfs/dbraw/zinc/08/28/45/818082845.db2.gz KNOYCGLTYVTFEG-GFCCVEGCSA-N -1 1 399.545 4.136 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000011750351 818116041 /nfs/dbraw/zinc/11/60/41/818116041.db2.gz AZHORNOYSRJSCW-UHFFFAOYSA-N -1 1 392.528 4.154 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@@H](C)C1CCCCC1)CC2 ZINC000572296156 823315398 /nfs/dbraw/zinc/31/53/98/823315398.db2.gz PXEYPFCKGCEDRS-BEFAXECRSA-N -1 1 375.509 4.294 20 0 GIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000057626757 823316590 /nfs/dbraw/zinc/31/65/90/823316590.db2.gz LTESNOHFGCZARR-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1nc2c(s1)CCCCC2 ZINC000012829147 818184893 /nfs/dbraw/zinc/18/48/93/818184893.db2.gz NBZWEKHOHUOKQT-UHFFFAOYSA-N -1 1 391.547 4.033 20 0 GIADMM CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000013033073 818201243 /nfs/dbraw/zinc/20/12/43/818201243.db2.gz DYQGTFCPNXNYRR-UHFFFAOYSA-N -1 1 392.285 4.214 20 0 GIADMM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000013264834 818208276 /nfs/dbraw/zinc/20/82/76/818208276.db2.gz AZXGFXOIOPKSJG-UHFFFAOYSA-N -1 1 392.285 4.214 20 0 GIADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000188906496 823326381 /nfs/dbraw/zinc/32/63/81/823326381.db2.gz FENOXZNHMOQTGK-LBPRGKRZSA-N -1 1 387.860 4.002 20 0 GIADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000015339970 818314751 /nfs/dbraw/zinc/31/47/51/818314751.db2.gz KJUGPFXRMFDNBW-HNNXBMFYSA-N -1 1 398.459 4.118 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCCC1 ZINC000015437030 818325864 /nfs/dbraw/zinc/32/58/64/818325864.db2.gz OFSGMTGDYYOSJO-UHFFFAOYSA-N -1 1 378.881 4.270 20 0 GIADMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188933132 823330205 /nfs/dbraw/zinc/33/02/05/823330205.db2.gz BIHRMVYIXHVERQ-UHFFFAOYSA-N -1 1 375.494 4.141 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000409868558 823331042 /nfs/dbraw/zinc/33/10/42/823331042.db2.gz WTOHMOXUTSCWHD-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OCCC ZINC000016095997 818392708 /nfs/dbraw/zinc/39/27/08/818392708.db2.gz CDGMBJLSPWGSGM-UHFFFAOYSA-N -1 1 385.432 4.343 20 0 GIADMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2s1 ZINC000016153968 818398402 /nfs/dbraw/zinc/39/84/02/818398402.db2.gz ZTOUNFHURIKRGS-UHFFFAOYSA-N -1 1 378.500 4.022 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000016597894 818458317 /nfs/dbraw/zinc/45/83/17/818458317.db2.gz QRTYLWBVSXIRGB-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCCc1sc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)cc1CC ZINC000017159602 818502560 /nfs/dbraw/zinc/50/25/60/818502560.db2.gz YHJDXCMIQOXGBF-UHFFFAOYSA-N -1 1 375.519 4.035 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000017305429 818506472 /nfs/dbraw/zinc/50/64/72/818506472.db2.gz HSULIHQGYNRZPE-UHFFFAOYSA-N -1 1 396.560 4.391 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1C ZINC000017321188 818509489 /nfs/dbraw/zinc/50/94/89/818509489.db2.gz ZMEYRMCBMCNFNT-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM Cc1ccc(-c2nc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)cs2)cc1 ZINC000017939826 818534408 /nfs/dbraw/zinc/53/44/08/818534408.db2.gz VHAFRCIFACGQQW-UHFFFAOYSA-N -1 1 393.420 4.288 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000018017424 818539052 /nfs/dbraw/zinc/53/90/52/818539052.db2.gz CYAFDYYQJKDSNX-UHFFFAOYSA-N -1 1 380.875 4.157 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1 ZINC000122433804 823353444 /nfs/dbraw/zinc/35/34/44/823353444.db2.gz LLROPKUXRSKXBC-UHFFFAOYSA-N -1 1 378.519 4.336 20 0 GIADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1NC(=O)c1cccc(F)c1 ZINC000177067297 823363635 /nfs/dbraw/zinc/36/36/35/823363635.db2.gz ZCUXFNSSARJBMW-UHFFFAOYSA-N -1 1 398.365 4.184 20 0 GIADMM CCCOc1ccccc1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000022355458 818795998 /nfs/dbraw/zinc/79/59/98/818795998.db2.gz PSFMXZHRGDWFTH-UHFFFAOYSA-N -1 1 388.518 4.487 20 0 GIADMM CC(C)CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000022513224 818819496 /nfs/dbraw/zinc/81/94/96/818819496.db2.gz XOZVTXLAIZPUJA-HNNXBMFYSA-N -1 1 392.496 4.181 20 0 GIADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000058190471 823368059 /nfs/dbraw/zinc/36/80/59/823368059.db2.gz ZFLSAXGVXMTLNN-UHFFFAOYSA-N -1 1 378.803 4.226 20 0 GIADMM Fc1cc(F)c2c(c1)CCCN2Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058205757 823368599 /nfs/dbraw/zinc/36/85/99/823368599.db2.gz FJIFFNSYOKUCDR-UHFFFAOYSA-N -1 1 378.473 4.281 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000023431904 818940562 /nfs/dbraw/zinc/94/05/62/818940562.db2.gz SNSZGZBDQBENGV-SJLPKXTDSA-N -1 1 384.549 4.345 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000023445097 818941670 /nfs/dbraw/zinc/94/16/70/818941670.db2.gz HDKWRDQNODRILS-MRXNPFEDSA-N -1 1 380.517 4.226 20 0 GIADMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000024432134 819056557 /nfs/dbraw/zinc/05/65/57/819056557.db2.gz KXRDMJZIHACCBX-UHFFFAOYSA-N -1 1 384.860 4.265 20 0 GIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc2ccccc2c1 ZINC000024576067 819074600 /nfs/dbraw/zinc/07/46/00/819074600.db2.gz XGAMOXNYKVFZHX-UHFFFAOYSA-N -1 1 377.425 4.223 20 0 GIADMM CCOc1cc(C(=O)Nc2cn(C)nc2C2CCCCC2)cc(Cl)c1[O-] ZINC000572812905 823403939 /nfs/dbraw/zinc/40/39/39/823403939.db2.gz SCNZEPUUAHQRLG-UHFFFAOYSA-N -1 1 377.872 4.478 20 0 GIADMM O=C([O-])c1c(CN2CCOC[C@@H]2C2CC2)nc2ccccc2c1-c1ccccc1 ZINC000572889151 823414482 /nfs/dbraw/zinc/41/44/82/823414482.db2.gz BBAIKXHPMBZHHC-OAQYLSRUSA-N -1 1 388.467 4.211 20 0 GIADMM O=C([O-])c1c(CN2CCOC[C@H]2C2CC2)nc2ccccc2c1-c1ccccc1 ZINC000572889150 823414508 /nfs/dbraw/zinc/41/45/08/823414508.db2.gz BBAIKXHPMBZHHC-NRFANRHFSA-N -1 1 388.467 4.211 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000025345167 819967096 /nfs/dbraw/zinc/96/70/96/819967096.db2.gz VLDINESIDZJRQX-OAHLLOKOSA-N -1 1 390.553 4.337 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCC(C)C)c2)cc1F ZINC000025801544 820026153 /nfs/dbraw/zinc/02/61/53/820026153.db2.gz JDYYHJCKCGJQOU-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026253967 820075373 /nfs/dbraw/zinc/07/53/73/820075373.db2.gz UQLHDISGNWYGKZ-UHFFFAOYSA-N -1 1 396.756 4.161 20 0 GIADMM COc1ccc(-c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)sc2C)cc1 ZINC000026254838 820075771 /nfs/dbraw/zinc/07/57/71/820075771.db2.gz TXJTXBVKPPHWMR-UHFFFAOYSA-N -1 1 382.367 4.121 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(-c2nccs2)cc1 ZINC000026489380 820105173 /nfs/dbraw/zinc/10/51/73/820105173.db2.gz ZNNUXFMGWRSESC-UHFFFAOYSA-N -1 1 399.526 4.431 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000026543544 820111842 /nfs/dbraw/zinc/11/18/42/820111842.db2.gz ZQNSBOUEVXQJCF-UHFFFAOYSA-N -1 1 377.771 4.095 20 0 GIADMM CC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)c1ccc(OC)c(OC)c1 ZINC000573154660 823456263 /nfs/dbraw/zinc/45/62/63/823456263.db2.gz INVOMYWRJQAIFV-KRWDZBQOSA-N -1 1 394.475 4.441 20 0 GIADMM CC(C)[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000027232534 820213265 /nfs/dbraw/zinc/21/32/65/820213265.db2.gz KDYVBLVUBYJXPG-CQSZACIVSA-N -1 1 394.924 4.257 20 0 GIADMM Cc1ccccc1NC(=O)N[N-]C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000058863065 823463625 /nfs/dbraw/zinc/46/36/25/823463625.db2.gz CFEAOPYWAJZHJU-UHFFFAOYSA-N -1 1 379.441 4.082 20 0 GIADMM C[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccs1)[C@@H](C)c1ccccc1 ZINC000177427266 823459875 /nfs/dbraw/zinc/45/98/75/823459875.db2.gz LUKULGDAMSKDBF-KGLIPLIRSA-N -1 1 386.546 4.368 20 0 GIADMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000410332486 823465915 /nfs/dbraw/zinc/46/59/15/823465915.db2.gz HCHOUBKDSFUIGA-UHFFFAOYSA-N -1 1 386.517 4.110 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2ccc(F)cc2s1 ZINC000029472150 820459332 /nfs/dbraw/zinc/45/93/32/820459332.db2.gz RJNKLFGGLQLMPL-UHFFFAOYSA-N -1 1 399.472 4.075 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1OC ZINC000410402074 823487654 /nfs/dbraw/zinc/48/76/54/823487654.db2.gz ORSDNMDTYQUTCR-UHFFFAOYSA-N -1 1 378.494 4.023 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3CCCC3)cc2)cc1C ZINC000029923725 820549421 /nfs/dbraw/zinc/54/94/21/820549421.db2.gz BAGYVAJJTVGBKA-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM CC(C)Oc1c(NS(=O)(=O)c2cccc3ccccc32)cccc1C(=O)[O-] ZINC000410405786 823488762 /nfs/dbraw/zinc/48/87/62/823488762.db2.gz ZJVVUKOXMHDPFO-UHFFFAOYSA-N -1 1 385.441 4.126 20 0 GIADMM O=C(NCC1CC1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000030572248 820643525 /nfs/dbraw/zinc/64/35/25/820643525.db2.gz IWTRCEHWJWMQJJ-UHFFFAOYSA-N -1 1 379.243 4.091 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1occc1Br ZINC000189803203 823497399 /nfs/dbraw/zinc/49/73/99/823497399.db2.gz CUXVVGQIKHBSKD-UHFFFAOYSA-N -1 1 398.669 4.390 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000030889375 820701511 /nfs/dbraw/zinc/70/15/11/820701511.db2.gz ZWIRABGHBQBOFD-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM CCCc1nc(C)c(C(=O)[N-]c2nc(Sc3ccc(OC)cc3)ns2)o1 ZINC000410541039 823502829 /nfs/dbraw/zinc/50/28/29/823502829.db2.gz NNUORJVDAGWUCP-UHFFFAOYSA-N -1 1 390.490 4.199 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000031382205 820801169 /nfs/dbraw/zinc/80/11/69/820801169.db2.gz IKPLMTWRWKUNJF-RHSMWYFYSA-N -1 1 388.537 4.043 20 0 GIADMM CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000031681514 820844584 /nfs/dbraw/zinc/84/45/84/820844584.db2.gz CJLNFYSFHFFBOO-KRWDZBQOSA-N -1 1 386.517 4.058 20 0 GIADMM CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC000031681510 820844848 /nfs/dbraw/zinc/84/48/48/820844848.db2.gz CJLNFYSFHFFBOO-QGZVFWFLSA-N -1 1 386.517 4.058 20 0 GIADMM CCC[C@H](C)N(C)C(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000032064884 820893362 /nfs/dbraw/zinc/89/33/62/820893362.db2.gz CQBFEPVPWCXSSG-AWEZNQCLSA-N -1 1 376.526 4.043 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000032071840 820893811 /nfs/dbraw/zinc/89/38/11/820893811.db2.gz MBJJMCUFKKNJGZ-HNNXBMFYSA-N -1 1 392.496 4.196 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1 ZINC000032098076 820897279 /nfs/dbraw/zinc/89/72/79/820897279.db2.gz TTWSCJOWMNQZSA-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1cccc(Br)c1 ZINC000032097298 820897537 /nfs/dbraw/zinc/89/75/37/820897537.db2.gz OKBGUHFIFNQLTG-UHFFFAOYSA-N -1 1 393.262 4.269 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1OC1CCCC1 ZINC000032098550 820898156 /nfs/dbraw/zinc/89/81/56/820898156.db2.gz KEISBVOCSAZTQP-UHFFFAOYSA-N -1 1 383.416 4.096 20 0 GIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1 ZINC000032369586 820927389 /nfs/dbraw/zinc/92/73/89/820927389.db2.gz SFESLJMQFSDCTF-UHFFFAOYSA-N -1 1 394.496 4.463 20 0 GIADMM COc1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc(OC)c1OC ZINC000032531890 820965474 /nfs/dbraw/zinc/96/54/74/820965474.db2.gz SDGHBCCEIRDKOY-UHFFFAOYSA-N -1 1 393.505 4.102 20 0 GIADMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccc(F)c2ncccc12 ZINC000032590275 820973584 /nfs/dbraw/zinc/97/35/84/820973584.db2.gz RJAXAADMBDGBLL-UHFFFAOYSA-N -1 1 386.326 4.073 20 0 GIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000032627670 820979307 /nfs/dbraw/zinc/97/93/07/820979307.db2.gz NQWDMVWVUKYPKD-UHFFFAOYSA-N -1 1 394.924 4.240 20 0 GIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)=O ZINC000032627095 820979493 /nfs/dbraw/zinc/97/94/93/820979493.db2.gz JOGDCOGPWXPYKT-UHFFFAOYSA-N -1 1 388.533 4.153 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631208 820980235 /nfs/dbraw/zinc/98/02/35/820980235.db2.gz UOINWZITQQEMHB-JOCHJYFZSA-N -1 1 390.464 4.345 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1 ZINC000032627876 820980296 /nfs/dbraw/zinc/98/02/96/820980296.db2.gz RJHHOSNQHPXPBB-UHFFFAOYSA-N -1 1 394.924 4.185 20 0 GIADMM Cc1nc(NC(=O)c2cc(F)cc(F)c2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123562077 823521649 /nfs/dbraw/zinc/52/16/49/823521649.db2.gz QAAXVQYXSHCLMI-UHFFFAOYSA-N -1 1 393.444 4.238 20 0 GIADMM Cc1nc(NC(=O)Cc2ccccc2F)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123566056 823522060 /nfs/dbraw/zinc/52/20/60/823522060.db2.gz ASYJKCDNPVSSMF-UHFFFAOYSA-N -1 1 389.481 4.028 20 0 GIADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000033098660 821033478 /nfs/dbraw/zinc/03/34/78/821033478.db2.gz IPCYGLOQOCVRAY-APWZRJJASA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000033181397 821044238 /nfs/dbraw/zinc/04/42/38/821044238.db2.gz WMPZOWZHDJKFSZ-APWZRJJASA-N -1 1 386.517 4.104 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(O)cc3)ccc2C)c1 ZINC000060481240 823532811 /nfs/dbraw/zinc/53/28/11/823532811.db2.gz DYTFPBMGPXTCTR-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM CC(C)OCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000042061421 821259198 /nfs/dbraw/zinc/25/91/98/821259198.db2.gz XGGFCFWMLCCGNQ-UHFFFAOYSA-N -1 1 381.472 4.052 20 0 GIADMM CCCOc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043452631 821409421 /nfs/dbraw/zinc/40/94/21/821409421.db2.gz OKFOSDIALXQVNA-UHFFFAOYSA-N -1 1 382.460 4.308 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180716067 821414184 /nfs/dbraw/zinc/41/41/84/821414184.db2.gz KZHNKVICXIEADG-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000180782440 821455300 /nfs/dbraw/zinc/45/53/00/821455300.db2.gz LTWSFUIMSRNOTJ-UHFFFAOYSA-N -1 1 376.334 4.242 20 0 GIADMM Cc1cc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CCO2)ccc1F ZINC000180806420 821469031 /nfs/dbraw/zinc/46/90/31/821469031.db2.gz BLNXBBGRARCYOU-QGZVFWFLSA-N -1 1 383.341 4.072 20 0 GIADMM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000044020497 821504892 /nfs/dbraw/zinc/50/48/92/821504892.db2.gz PSSAFKYLFVKOKD-QGZVFWFLSA-N -1 1 395.499 4.406 20 0 GIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccs1 ZINC000182052178 822074876 /nfs/dbraw/zinc/07/48/76/822074876.db2.gz KYZLMXOSMIFKGU-GFCCVEGCSA-N -1 1 383.391 4.350 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000182052248 822075131 /nfs/dbraw/zinc/07/51/31/822075131.db2.gz RNRPJRLBGZIMSE-IUODEOHRSA-N -1 1 385.407 4.201 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1 ZINC000178217683 822354542 /nfs/dbraw/zinc/35/45/42/822354542.db2.gz WCZGZLLQPLUSOE-HNNXBMFYSA-N -1 1 394.500 4.039 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000178266355 822360839 /nfs/dbraw/zinc/36/08/39/822360839.db2.gz CTPHDEJOKOEMNO-KDURUIRLSA-N -1 1 398.528 4.058 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000182922051 822393194 /nfs/dbraw/zinc/39/31/94/822393194.db2.gz QQGIVHJKTUMFMF-MRXNPFEDSA-N -1 1 376.250 4.106 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000182931246 822395160 /nfs/dbraw/zinc/39/51/60/822395160.db2.gz GFVQATLUFRMCFR-UHFFFAOYSA-N -1 1 390.277 4.150 20 0 GIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000178762906 822407868 /nfs/dbraw/zinc/40/78/68/822407868.db2.gz WJHITDZFCMGPHE-UHFFFAOYSA-N -1 1 397.456 4.008 20 0 GIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1O ZINC000178785393 822409613 /nfs/dbraw/zinc/40/96/13/822409613.db2.gz JGONETJDASJTSH-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM COc1cccc2[nH]cc(CC(=O)Nc3cc(C)cc(Br)c3[O-])c21 ZINC000183133785 822428846 /nfs/dbraw/zinc/42/88/46/822428846.db2.gz PZKMCCFSLJJUJQ-UHFFFAOYSA-N -1 1 389.249 4.134 20 0 GIADMM COc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046591978 822489407 /nfs/dbraw/zinc/48/94/07/822489407.db2.gz ZSSVBOVSDGGYMN-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1cc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)s1 ZINC000046600667 822490597 /nfs/dbraw/zinc/49/05/97/822490597.db2.gz JJOJPCHKQGWERD-CQSZACIVSA-N -1 1 386.517 4.436 20 0 GIADMM O=C(CCc1ccccc1F)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611608 822491968 /nfs/dbraw/zinc/49/19/68/822491968.db2.gz VJCFUICTYAGCRP-UHFFFAOYSA-N -1 1 398.459 4.198 20 0 GIADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179541350 822500125 /nfs/dbraw/zinc/50/01/25/822500125.db2.gz AUYHRFMLMMNVFT-STQMWFEESA-N -1 1 388.414 4.326 20 0 GIADMM CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1OC ZINC000046685778 822505196 /nfs/dbraw/zinc/50/51/96/822505196.db2.gz DEKCQJQXZYYXRW-HXUWFJFHSA-N -1 1 396.487 4.156 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000047232867 822556551 /nfs/dbraw/zinc/55/65/51/822556551.db2.gz ZSYGOSIJOJIZFC-UHFFFAOYSA-N -1 1 393.516 4.155 20 0 GIADMM N#C[C@@H](C(=O)CCCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362758 822570955 /nfs/dbraw/zinc/57/09/55/822570955.db2.gz WTFAMWICHLDPIY-AWEZNQCLSA-N -1 1 397.525 4.124 20 0 GIADMM CC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1Br ZINC000179947129 822583031 /nfs/dbraw/zinc/58/30/31/822583031.db2.gz GSZSQQFVRMWBIE-UHFFFAOYSA-N -1 1 382.279 4.069 20 0 GIADMM C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@@H]1C ZINC000184149827 822586171 /nfs/dbraw/zinc/58/61/71/822586171.db2.gz IOEZLJOOWQQDDH-HZPDHXFCSA-N -1 1 387.505 4.140 20 0 GIADMM CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000048454648 822663505 /nfs/dbraw/zinc/66/35/05/822663505.db2.gz UVTWQTBJDSYRTA-UHFFFAOYSA-N -1 1 382.460 4.306 20 0 GIADMM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc5ccccc5c4[O-])n3)cn2)n1 ZINC000184855689 822701324 /nfs/dbraw/zinc/70/13/24/822701324.db2.gz QHNMTGCYNQNKTB-UHFFFAOYSA-N -1 1 383.411 4.460 20 0 GIADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184878286 822705785 /nfs/dbraw/zinc/70/57/85/822705785.db2.gz JOHFHGVREXQSNI-OAHLLOKOSA-N -1 1 393.480 4.165 20 0 GIADMM Cc1cccc(NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)c1 ZINC000180586007 822706340 /nfs/dbraw/zinc/70/63/40/822706340.db2.gz WSLDTYJMLMXHMU-UHFFFAOYSA-N -1 1 378.394 4.436 20 0 GIADMM Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455770386 822723277 /nfs/dbraw/zinc/72/32/77/822723277.db2.gz MUVFXLIZSSNOIU-HOCLYGCPSA-N -1 1 387.505 4.058 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3CC[C@H]3C)c2)c1 ZINC000455777601 822724881 /nfs/dbraw/zinc/72/48/81/822724881.db2.gz DGMUVXPMSRPFHX-RDTXWAMCSA-N -1 1 387.505 4.024 20 0 GIADMM CC[C@@H](C)N(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455780700 822725494 /nfs/dbraw/zinc/72/54/94/822725494.db2.gz XFODRLNQCPHBPU-OAHLLOKOSA-N -1 1 375.494 4.058 20 0 GIADMM CCOc1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000185048395 822729135 /nfs/dbraw/zinc/72/91/35/822729135.db2.gz PXCHVFNTSWVSOF-UHFFFAOYSA-N -1 1 380.469 4.119 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000185053926 822729819 /nfs/dbraw/zinc/72/98/19/822729819.db2.gz MXGZHNLTQCTEEU-CYBMUJFWSA-N -1 1 383.448 4.004 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000185058477 822730564 /nfs/dbraw/zinc/73/05/64/822730564.db2.gz IMJUTBCZMHNJHU-UHFFFAOYSA-N -1 1 385.876 4.130 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccccc1 ZINC000185059202 822730709 /nfs/dbraw/zinc/73/07/09/822730709.db2.gz HDGHSWDEXLHMNX-WMZOPIPTSA-N -1 1 397.544 4.019 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c(C)s1 ZINC000050534755 822733032 /nfs/dbraw/zinc/73/30/32/822733032.db2.gz LFXQBMBYKFUDDH-UHFFFAOYSA-N -1 1 382.576 4.027 20 0 GIADMM C=C(C)[C@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000185481189 822789111 /nfs/dbraw/zinc/78/91/11/822789111.db2.gz UECPNRJHCJQXSZ-INIZCTEOSA-N -1 1 397.784 4.019 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC(C)C)cc1F ZINC000052080751 822790041 /nfs/dbraw/zinc/79/00/41/822790041.db2.gz DFFRQKXXIFNTFW-UHFFFAOYSA-N -1 1 394.468 4.017 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C[C@@H](C)CC)cc1 ZINC000174534840 822802473 /nfs/dbraw/zinc/80/24/73/822802473.db2.gz BCWWZBSFWILLOV-LSDHHAIUSA-N -1 1 390.553 4.337 20 0 GIADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(COc2ccc(F)cc2)o1 ZINC000053208563 822826034 /nfs/dbraw/zinc/82/60/34/822826034.db2.gz YPQWKYMFXMQFQL-UHFFFAOYSA-N -1 1 385.376 4.362 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)o1 ZINC000174766644 822834452 /nfs/dbraw/zinc/83/44/52/822834452.db2.gz QSOQQAHYAXZRFK-UHFFFAOYSA-N -1 1 377.853 4.062 20 0 GIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(OC)c(OC)c4)nc(=O)c3s2)cc1 ZINC000053852760 822850921 /nfs/dbraw/zinc/85/09/21/822850921.db2.gz QZSKMBONMQLNLC-UHFFFAOYSA-N -1 1 394.452 4.344 20 0 GIADMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccc(F)cc1 ZINC000054895443 822920294 /nfs/dbraw/zinc/92/02/94/822920294.db2.gz WUUGUNIXRNTIDT-SDQBBNPISA-N -1 1 379.463 4.296 20 0 GIADMM Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000569430545 822921879 /nfs/dbraw/zinc/92/18/79/822921879.db2.gz KMYOASFOUAMETO-CALCHBBNSA-N -1 1 399.516 4.060 20 0 GIADMM CCOc1cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186676457 822935104 /nfs/dbraw/zinc/93/51/04/822935104.db2.gz BAHVSHOIBJAUHG-UHFFFAOYSA-N -1 1 388.895 4.185 20 0 GIADMM CCOc1cc(C(=O)N(C)CCCc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000186677972 822935411 /nfs/dbraw/zinc/93/54/11/822935411.db2.gz DEQJLAGECTUIBC-UHFFFAOYSA-N -1 1 377.868 4.158 20 0 GIADMM CCOc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000186764979 822951479 /nfs/dbraw/zinc/95/14/79/822951479.db2.gz RFCRMAKVVFNMIU-SJLPKXTDSA-N -1 1 375.852 4.094 20 0 GIADMM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000569765623 822965451 /nfs/dbraw/zinc/96/54/51/822965451.db2.gz BVADNWKQXSYSMP-QGZVFWFLSA-N -1 1 378.266 4.152 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc(Cl)c1[O-] ZINC000186846845 822966749 /nfs/dbraw/zinc/96/67/49/822966749.db2.gz FCMIDFJRALHUAY-MZHQLVBMSA-N -1 1 395.908 4.015 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc(Cl)c1[O-] ZINC000186853511 822968136 /nfs/dbraw/zinc/96/81/36/822968136.db2.gz IFQTZAHCRQPITO-ZFWWWQNUSA-N -1 1 395.908 4.234 20 0 GIADMM CCOc1cc(C(=O)NCc2ccccc2-n2nc(C)cc2C)cc(Cl)c1[O-] ZINC000186866177 822970935 /nfs/dbraw/zinc/97/09/35/822970935.db2.gz AUXWDLALSFXALJ-UHFFFAOYSA-N -1 1 399.878 4.177 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000055518817 822973535 /nfs/dbraw/zinc/97/35/35/822973535.db2.gz XOVHFVPTOWVAEI-SFHVURJKSA-N -1 1 393.516 4.065 20 0 GIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(CCCl)cc3)c2)n1 ZINC000055585779 822982514 /nfs/dbraw/zinc/98/25/14/822982514.db2.gz MPQOTBDBLDTQIK-UHFFFAOYSA-N -1 1 387.892 4.034 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc(Cl)c1[O-] ZINC000186933162 822982850 /nfs/dbraw/zinc/98/28/50/822982850.db2.gz KPVZUNCPVAKJGQ-KSSFIOAISA-N -1 1 389.879 4.342 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)cc1F ZINC000055601598 822985930 /nfs/dbraw/zinc/98/59/30/822985930.db2.gz CVWCTHCFDBVAMF-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)cc(Cl)c1[O-] ZINC000186988755 822993059 /nfs/dbraw/zinc/99/30/59/822993059.db2.gz GEKVYSKPQWOTBO-UHFFFAOYSA-N -1 1 386.835 4.101 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000055650317 822993153 /nfs/dbraw/zinc/99/31/53/822993153.db2.gz OMTMMXIYAXLZFD-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1 ZINC000055663231 822995835 /nfs/dbraw/zinc/99/58/35/822995835.db2.gz PCJHQBIPDCEPMY-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc2NC1=O ZINC000187063040 823005479 /nfs/dbraw/zinc/00/54/79/823005479.db2.gz IFPAERZNWUESQO-UHFFFAOYSA-N -1 1 393.468 4.132 20 0 GIADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000187182459 823021767 /nfs/dbraw/zinc/02/17/67/823021767.db2.gz ZXBYXQJEPYZMBU-UHFFFAOYSA-N -1 1 396.468 4.257 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)c3ccccc32)c(=O)[n-]1 ZINC000570477028 823043175 /nfs/dbraw/zinc/04/31/75/823043175.db2.gz WYLBTGOMFPMMCC-GFCCVEGCSA-N -1 1 399.491 4.315 20 0 GIADMM CCCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000060664393 823551288 /nfs/dbraw/zinc/55/12/88/823551288.db2.gz MVSSVJDNGPNMKG-UHFFFAOYSA-N -1 1 396.459 4.076 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)cc1 ZINC000460972207 823553481 /nfs/dbraw/zinc/55/34/81/823553481.db2.gz RICXTPMREVMMOS-HXUWFJFHSA-N -1 1 398.528 4.056 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000060738724 823554795 /nfs/dbraw/zinc/55/47/95/823554795.db2.gz YYKDFWXPCHHKLU-UHFFFAOYSA-N -1 1 397.431 4.178 20 0 GIADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)[nH]n1 ZINC000461110947 823579515 /nfs/dbraw/zinc/57/95/15/823579515.db2.gz SQBBWGTUTIJZDT-UHFFFAOYSA-N -1 1 387.408 4.266 20 0 GIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Br)cs2)c(F)c1F ZINC000461111098 823579526 /nfs/dbraw/zinc/57/95/26/823579526.db2.gz QMZPDLMAOZFFFS-UHFFFAOYSA-N -1 1 378.169 4.383 20 0 GIADMM C[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CCS1 ZINC000411632610 823592625 /nfs/dbraw/zinc/59/26/25/823592625.db2.gz QNGODAKUHBIMAA-LBPRGKRZSA-N -1 1 389.521 4.118 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2nn1C ZINC000461330193 823618615 /nfs/dbraw/zinc/61/86/15/823618615.db2.gz GGVDRUDSFKHYOJ-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461332633 823619058 /nfs/dbraw/zinc/61/90/58/823619058.db2.gz LEXMXJGHHPEUDJ-IMFGXOCKSA-N -1 1 398.528 4.186 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)ccc12 ZINC000461338393 823620388 /nfs/dbraw/zinc/62/03/88/823620388.db2.gz GCJOMUMAJIUGIL-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)c3cccc1c23 ZINC000461338250 823620411 /nfs/dbraw/zinc/62/04/11/823620411.db2.gz GOAVVULUVBIELZ-UHFFFAOYSA-N -1 1 378.453 4.474 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000190945183 823628459 /nfs/dbraw/zinc/62/84/59/823628459.db2.gz SIBROVKLHVNPHV-UHFFFAOYSA-N -1 1 380.231 4.235 20 0 GIADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000412241928 823638997 /nfs/dbraw/zinc/63/89/97/823638997.db2.gz LSVUQCHGOOLOST-QWHCGFSZSA-N -1 1 376.250 4.214 20 0 GIADMM CS[C@H](C)CCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412289866 823643300 /nfs/dbraw/zinc/64/33/00/823643300.db2.gz LIBAUYINHBTLPJ-SSDOTTSWSA-N -1 1 397.132 4.387 20 0 GIADMM CC(C)OC(C)(C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412296517 823644068 /nfs/dbraw/zinc/64/40/68/823644068.db2.gz ZDRVQNGSWJQZIF-UHFFFAOYSA-N -1 1 395.091 4.059 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c2)c1 ZINC000461481521 823645659 /nfs/dbraw/zinc/64/56/59/823645659.db2.gz ARQBZHPQXWBONG-UWJYYQICSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)c1 ZINC000461481520 823645676 /nfs/dbraw/zinc/64/56/76/823645676.db2.gz ARQBZHPQXWBONG-UTKZUKDTSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)cc2)cc1 ZINC000461490091 823647450 /nfs/dbraw/zinc/64/74/50/823647450.db2.gz RTZACTOJXMVVAG-UTKZUKDTSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1c(C(=O)[N-]NC(=S)Nc2cc(C)ccc2F)oc2c1c(C)ccc2C ZINC000063343932 823664672 /nfs/dbraw/zinc/66/46/72/823664672.db2.gz PJBYXORELKTXAC-UHFFFAOYSA-N -1 1 385.464 4.437 20 0 GIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000063442260 823671727 /nfs/dbraw/zinc/67/17/27/823671727.db2.gz CTEBGKXDDJOKQN-UHFFFAOYSA-N -1 1 390.288 4.210 20 0 GIADMM O=C(OCc1csc(COc2ccc(F)cc2)n1)c1c([O-])cc(F)cc1F ZINC000063543549 823678615 /nfs/dbraw/zinc/67/86/15/823678615.db2.gz XFFDYPSUXDSWDQ-UHFFFAOYSA-N -1 1 395.358 4.202 20 0 GIADMM COc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)[n-]c(=O)c2c1 ZINC000063580615 823680850 /nfs/dbraw/zinc/68/08/50/823680850.db2.gz FGXZIDQFCMLBRI-UHFFFAOYSA-N -1 1 386.411 4.243 20 0 GIADMM CCc1cccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c1O ZINC000574358910 823707938 /nfs/dbraw/zinc/70/79/38/823707938.db2.gz XUACMCSOBQBALZ-UHFFFAOYSA-N -1 1 391.221 4.148 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CC2CCCC2)cc1 ZINC000064088812 823744357 /nfs/dbraw/zinc/74/43/57/823744357.db2.gz CCXRXZGJILOKQA-UHFFFAOYSA-N -1 1 388.537 4.045 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(COC(C)C)c1 ZINC000064323768 823792650 /nfs/dbraw/zinc/79/26/50/823792650.db2.gz KKALSGPAHXNOBQ-UHFFFAOYSA-N -1 1 390.505 4.016 20 0 GIADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000191889886 823804834 /nfs/dbraw/zinc/80/48/34/823804834.db2.gz FTXLPDPUQLBBQR-UHFFFAOYSA-N -1 1 393.814 4.349 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000064476968 823826860 /nfs/dbraw/zinc/82/68/60/823826860.db2.gz KCBJTTJSICIJIZ-UHFFFAOYSA-N -1 1 398.937 4.003 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)ccc1C(F)(F)F ZINC000575035844 823896241 /nfs/dbraw/zinc/89/62/41/823896241.db2.gz QGTOPDZDQCDSGK-UHFFFAOYSA-N -1 1 382.363 4.470 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000064937838 823915292 /nfs/dbraw/zinc/91/52/92/823915292.db2.gz WATPCPFOBOENBA-UHFFFAOYSA-N -1 1 399.419 4.489 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000064938380 823915795 /nfs/dbraw/zinc/91/57/95/823915795.db2.gz DUMNSHJTCVGNMM-UHFFFAOYSA-N -1 1 385.407 4.433 20 0 GIADMM CCCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000065174539 823956753 /nfs/dbraw/zinc/95/67/53/823956753.db2.gz OCEVYTJTTCUUNH-UHFFFAOYSA-N -1 1 392.496 4.243 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1Cl ZINC000126823719 823959819 /nfs/dbraw/zinc/95/98/19/823959819.db2.gz FYUHRNXSVHBMPM-UHFFFAOYSA-N -1 1 378.837 4.113 20 0 GIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c4ncccc34)c2)n1 ZINC000126833440 823962141 /nfs/dbraw/zinc/96/21/41/823962141.db2.gz BVOKWRPLSVPFBI-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1 ZINC000126856095 823967512 /nfs/dbraw/zinc/96/75/12/823967512.db2.gz RANVGXHLFVZKMK-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM CN(C)c1nc2sc(C(=O)[N-]c3nnc(-c4ccsc4)s3)cc2s1 ZINC000170860351 823993377 /nfs/dbraw/zinc/99/33/77/823993377.db2.gz NWOKGPFXHDOGQO-UHFFFAOYSA-N -1 1 393.544 4.256 20 0 GIADMM CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127044574 824006364 /nfs/dbraw/zinc/00/63/64/824006364.db2.gz JJFGYHMXQZJBRC-JTQLQIEISA-N -1 1 399.438 4.445 20 0 GIADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414689308 824024274 /nfs/dbraw/zinc/02/42/74/824024274.db2.gz ZPJBFHNJJPEGDM-NSHDSACASA-N -1 1 383.311 4.258 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](COC)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000192562299 824032354 /nfs/dbraw/zinc/03/23/54/824032354.db2.gz YHRBHSZPYPUAHW-HNNXBMFYSA-N -1 1 384.259 4.215 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1C ZINC000006177444 209123342 /nfs/dbraw/zinc/12/33/42/209123342.db2.gz PGDDIQHEFHMFJQ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@H]1c1cccs1 ZINC000022131836 207248723 /nfs/dbraw/zinc/24/87/23/207248723.db2.gz HZVOBRRTZLEVJH-LLVKDONJSA-N -1 1 376.532 4.094 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000097098314 208335554 /nfs/dbraw/zinc/33/55/54/208335554.db2.gz USBLNVPULHJYIV-UHFFFAOYSA-N -1 1 377.444 4.420 20 0 GIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000071976566 222202159 /nfs/dbraw/zinc/20/21/59/222202159.db2.gz QHRYVZCVSXGACU-UHFFFAOYSA-N -1 1 388.533 4.086 20 0 GIADMM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cc(F)c(O)c(F)c3)nc(=O)c12 ZINC000832853457 601393645 /nfs/dbraw/zinc/39/36/45/601393645.db2.gz XUBDHKKNMZPPEI-FARCUNLSSA-N -1 1 398.774 4.124 20 0 GIADMM CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843809 823053005 /nfs/dbraw/zinc/05/30/05/823053005.db2.gz UOOWJHPWOCDBOU-LBPRGKRZSA-N -1 1 396.896 4.221 20 0 GIADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000187433820 823063004 /nfs/dbraw/zinc/06/30/04/823063004.db2.gz IBWPMBNDQVXEEA-OXJNMPFZSA-N -1 1 386.517 4.056 20 0 GIADMM Cc1ccccc1-c1csc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC000120766391 823059985 /nfs/dbraw/zinc/05/99/85/823059985.db2.gz HVZVVELGJPRJBU-UHFFFAOYSA-N -1 1 382.489 4.060 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000120898929 823083907 /nfs/dbraw/zinc/08/39/07/823083907.db2.gz WNOHWIOCZHHBHP-MRXNPFEDSA-N -1 1 375.266 4.307 20 0 GIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CC1 ZINC000571255198 823156580 /nfs/dbraw/zinc/15/65/80/823156580.db2.gz STQDTAWDNUZBEU-UHFFFAOYSA-N -1 1 398.406 4.022 20 0 GIADMM O=c1cc(C(F)F)nc(SCc2csc(-c3ccc4c(c3)OCO4)n2)[n-]1 ZINC000571330809 823166585 /nfs/dbraw/zinc/16/65/85/823166585.db2.gz NAMHRPFKYFRXMA-UHFFFAOYSA-N -1 1 395.412 4.264 20 0 GIADMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C2CC2)n1 ZINC000188054837 823178556 /nfs/dbraw/zinc/17/85/56/823178556.db2.gz BIUSAJLNAWGNFS-CYBMUJFWSA-N -1 1 395.308 4.327 20 0 GIADMM CCOc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000056603307 823178645 /nfs/dbraw/zinc/17/86/45/823178645.db2.gz NMNYROXAHYYQSM-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM O=c1cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000459421122 823188969 /nfs/dbraw/zinc/18/89/69/823188969.db2.gz YZTKOPWUUSZZEU-CQSZACIVSA-N -1 1 391.315 4.472 20 0 GIADMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000121556247 823205110 /nfs/dbraw/zinc/20/51/10/823205110.db2.gz LJAJLHFVGXEUQQ-DYVFJYSZSA-N -1 1 390.277 4.052 20 0 GIADMM CSc1ccccc1[N-]C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000121655354 823223727 /nfs/dbraw/zinc/22/37/27/823223727.db2.gz DBWYRVAQPMBRPQ-UHFFFAOYSA-N -1 1 396.369 4.399 20 0 GIADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1NC(=O)c1ccccc1F ZINC000188356700 823225154 /nfs/dbraw/zinc/22/51/54/823225154.db2.gz YALFCTCQNAGACX-UHFFFAOYSA-N -1 1 399.809 4.393 20 0 GIADMM CC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000176532018 823230674 /nfs/dbraw/zinc/23/06/74/823230674.db2.gz ZUDOGEJYUNGDAD-AEFFLSMTSA-N -1 1 381.520 4.032 20 0 GIADMM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000188440718 823241003 /nfs/dbraw/zinc/24/10/03/823241003.db2.gz CTEYVUAKTRAJEH-DEOSSOPVSA-N -1 1 397.587 4.257 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)CCC[C@H]2C)cc1 ZINC000176613891 823249155 /nfs/dbraw/zinc/24/91/55/823249155.db2.gz PDWXBTXDNQZDBJ-LSDHHAIUSA-N -1 1 388.537 4.043 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c2ccccc12 ZINC000057115836 823250288 /nfs/dbraw/zinc/25/02/88/823250288.db2.gz BXHKAMGNRYAONU-UHFFFAOYSA-N -1 1 387.457 4.057 20 0 GIADMM CCc1nc(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000571896522 823250664 /nfs/dbraw/zinc/25/06/64/823250664.db2.gz DGNVIOMUMSCQRE-LBPRGKRZSA-N -1 1 379.913 4.018 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)c(C)o3)cc2)cc1Cl ZINC000057120369 823250845 /nfs/dbraw/zinc/25/08/45/823250845.db2.gz QOPHFABUKKNPDD-UHFFFAOYSA-N -1 1 392.864 4.421 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000057121146 823251053 /nfs/dbraw/zinc/25/10/53/823251053.db2.gz GKKHYUMIDFXFIX-UHFFFAOYSA-N -1 1 394.924 4.206 20 0 GIADMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057125518 823251621 /nfs/dbraw/zinc/25/16/21/823251621.db2.gz XNQMAHVVNAYLHQ-UHFFFAOYSA-N -1 1 396.468 4.357 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000176636201 823254490 /nfs/dbraw/zinc/25/44/90/823254490.db2.gz MCIZCTIMDVDUAP-UHFFFAOYSA-N -1 1 382.485 4.123 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000004732845 817533929 /nfs/dbraw/zinc/53/39/29/817533929.db2.gz NSBJBBKUMZOSIG-UHFFFAOYSA-N -1 1 379.441 4.039 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)nn3)cc2)c1 ZINC000176709069 823273692 /nfs/dbraw/zinc/27/36/92/823273692.db2.gz DWIPXMKJBGHTOI-UHFFFAOYSA-N -1 1 393.827 4.171 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000176733015 823280552 /nfs/dbraw/zinc/28/05/52/823280552.db2.gz WPJAHULHYTVZJY-UHFFFAOYSA-N -1 1 396.921 4.138 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000007054072 817748052 /nfs/dbraw/zinc/74/80/52/817748052.db2.gz DEVAXHPMSSRXJP-INIZCTEOSA-N -1 1 388.533 4.483 20 0 GIADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000007057393 817749546 /nfs/dbraw/zinc/74/95/46/817749546.db2.gz FUHSJTUBZJDKIV-UHFFFAOYSA-N -1 1 388.272 4.418 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000007057535 817749556 /nfs/dbraw/zinc/74/95/56/817749556.db2.gz CWRDYQZRJTVYEK-UHFFFAOYSA-N -1 1 380.469 4.037 20 0 GIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007060351 817750133 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CCOc1ccc(NC(=O)Cc2sc(Nc3cc(C)cc(C)c3)nc2[O-])cc1 ZINC000007883445 817950538 /nfs/dbraw/zinc/95/05/38/817950538.db2.gz PXCWBKOJIUSYBS-GOSISDBHSA-N -1 1 397.500 4.141 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cc1 ZINC000008033371 817985920 /nfs/dbraw/zinc/98/59/20/817985920.db2.gz RBMZVLXCVAUKLD-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000008033318 817985995 /nfs/dbraw/zinc/98/59/95/817985995.db2.gz UURDJVYKXSJNSB-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008033313 817986053 /nfs/dbraw/zinc/98/60/53/817986053.db2.gz DRQYKCSNQXGZFG-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM COc1cc(-c2noc(-c3csc(C4CC4)n3)n2)cc(Br)c1[O-] ZINC000572229293 823304572 /nfs/dbraw/zinc/30/45/72/823304572.db2.gz ICUYWXAMSIQSRJ-UHFFFAOYSA-N -1 1 394.250 4.214 20 0 GIADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCCCCC1 ZINC000008181502 818014197 /nfs/dbraw/zinc/01/41/97/818014197.db2.gz PTADHOQXPYBABN-UHFFFAOYSA-N -1 1 392.908 4.157 20 0 GIADMM COc1cc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000460185619 823309443 /nfs/dbraw/zinc/30/94/43/823309443.db2.gz KQNQQHVPSFAYPP-CQSZACIVSA-N -1 1 391.851 4.173 20 0 GIADMM COc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc(Cl)c1[O-] ZINC000460186896 823310056 /nfs/dbraw/zinc/31/00/56/823310056.db2.gz NUCHSBNUHUYBAP-OAHLLOKOSA-N -1 1 397.805 4.463 20 0 GIADMM O=C(Nc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1)c1ccco1 ZINC000011535047 818093027 /nfs/dbraw/zinc/09/30/27/818093027.db2.gz QLDNXYLYFNVXBD-UHFFFAOYSA-N -1 1 386.407 4.321 20 0 GIADMM COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000460197446 823313402 /nfs/dbraw/zinc/31/34/02/823313402.db2.gz ORYVJKRKQGHNSO-VIFPVBQESA-N -1 1 389.757 4.444 20 0 GIADMM CSc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000012039739 818138403 /nfs/dbraw/zinc/13/84/03/818138403.db2.gz IUARMFDWPQVUTI-UHFFFAOYSA-N -1 1 376.532 4.420 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)sc2C)cc1 ZINC000122190015 823319054 /nfs/dbraw/zinc/31/90/54/823319054.db2.gz BWSKSAIHZMJYJT-UHFFFAOYSA-N -1 1 376.297 4.019 20 0 GIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000012970392 818198485 /nfs/dbraw/zinc/19/84/85/818198485.db2.gz MEVFBXHRGGAYHL-UHFFFAOYSA-N -1 1 392.908 4.220 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)cc1 ZINC000014097812 818222239 /nfs/dbraw/zinc/22/22/39/818222239.db2.gz KWMODWJRLUGXNE-UHFFFAOYSA-N -1 1 394.924 4.101 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000015439551 818325908 /nfs/dbraw/zinc/32/59/08/818325908.db2.gz ZRNMKGWAPZPWAC-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000057785593 823332673 /nfs/dbraw/zinc/33/26/73/823332673.db2.gz IFEVLFYZWXLEKX-UHFFFAOYSA-N -1 1 399.708 4.468 20 0 GIADMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000122319187 823337342 /nfs/dbraw/zinc/33/73/42/823337342.db2.gz 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ZINC000017356964 818512178 /nfs/dbraw/zinc/51/21/78/818512178.db2.gz BEBGNFFIMNTTQG-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000122393313 823348405 /nfs/dbraw/zinc/34/84/05/823348405.db2.gz QJCAGDXQFVAFQQ-UHFFFAOYSA-N -1 1 396.534 4.109 20 0 GIADMM COc1ccc(N(Cc2cccs2)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000122413472 823350771 /nfs/dbraw/zinc/35/07/71/823350771.db2.gz RCBDGEWKVWWIPA-UHFFFAOYSA-N -1 1 396.468 4.268 20 0 GIADMM O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc([O-])cc1 ZINC000022040237 818766187 /nfs/dbraw/zinc/76/61/87/818766187.db2.gz PCEMVXJGFFBPSH-UHFFFAOYSA-N -1 1 391.452 4.267 20 0 GIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)c1C ZINC000022959951 818880460 /nfs/dbraw/zinc/88/04/60/818880460.db2.gz KNMBHKQAWKYVGE-UHFFFAOYSA-N -1 1 388.533 4.249 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1occc1Br ZINC000177116746 823375087 /nfs/dbraw/zinc/37/50/87/823375087.db2.gz GTOZZNDXUQMTAV-UHFFFAOYSA-N -1 1 384.642 4.466 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000023431899 818940539 /nfs/dbraw/zinc/94/05/39/818940539.db2.gz SNSZGZBDQBENGV-FUHWJXTLSA-N -1 1 384.549 4.345 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000023599245 818962707 /nfs/dbraw/zinc/96/27/07/818962707.db2.gz UASQROCRJQBSRU-UHFFFAOYSA-N -1 1 380.517 4.273 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C ZINC000023722475 818976472 /nfs/dbraw/zinc/97/64/72/818976472.db2.gz LEOCGVGIBUNEIS-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189260949 823382905 /nfs/dbraw/zinc/38/29/05/823382905.db2.gz ATPPFVRZZXZUDC-UHFFFAOYSA-N -1 1 399.312 4.333 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)cc(C)c1F ZINC000460419499 823383023 /nfs/dbraw/zinc/38/30/23/823383023.db2.gz KFJHLGRQPHBUSH-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460427490 823385802 /nfs/dbraw/zinc/38/58/02/823385802.db2.gz QKYPQEFMHWTTDD-UHFFFAOYSA-N -1 1 388.533 4.313 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460448815 823393078 /nfs/dbraw/zinc/39/30/78/823393078.db2.gz XFBSWDOWOYIPSC-UHFFFAOYSA-N -1 1 391.533 4.338 20 0 GIADMM CCCC[C@H](CCC)NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000177279609 823419458 /nfs/dbraw/zinc/41/94/58/823419458.db2.gz VZDSWAYYNTXKTK-HNNXBMFYSA-N -1 1 376.526 4.091 20 0 GIADMM O=C([O-])CCC1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000573009057 823433130 /nfs/dbraw/zinc/43/31/30/823433130.db2.gz NKFMRSFPMYNTRI-UHFFFAOYSA-N -1 1 393.281 4.181 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000024813789 819880944 /nfs/dbraw/zinc/88/09/44/819880944.db2.gz SKVQSMMIVPTAMG-UHFFFAOYSA-N -1 1 382.489 4.262 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)s3)n2)n[n-]c1=S ZINC000026091272 820056609 /nfs/dbraw/zinc/05/66/09/820056609.db2.gz KVYPFPNWVISINJ-UHFFFAOYSA-N -1 1 397.938 4.141 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)C(C)C ZINC000027232066 820213067 /nfs/dbraw/zinc/21/30/67/820213067.db2.gz IZZUAXAJCHWGQG-OAHLLOKOSA-N -1 1 392.496 4.051 20 0 GIADMM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000028492083 820339831 /nfs/dbraw/zinc/33/98/31/820339831.db2.gz STDYAMZCAUSSBU-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000028492022 820340196 /nfs/dbraw/zinc/34/01/96/820340196.db2.gz BOMDFUCGLGNFHX-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000410405624 823488693 /nfs/dbraw/zinc/48/86/93/823488693.db2.gz YLOPOFXAKPLPCG-UHFFFAOYSA-N -1 1 383.311 4.460 20 0 GIADMM Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000460719849 823494297 /nfs/dbraw/zinc/49/42/97/823494297.db2.gz OAPVBLCABIGHJR-HXUWFJFHSA-N -1 1 392.480 4.074 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000410412818 823490374 /nfs/dbraw/zinc/49/03/74/823490374.db2.gz GGAWPRPXVOYARM-UHFFFAOYSA-N -1 1 375.881 4.158 20 0 GIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000030530725 820633469 /nfs/dbraw/zinc/63/34/69/820633469.db2.gz FVGUFLHZNAAAQJ-UHFFFAOYSA-N -1 1 386.517 4.021 20 0 GIADMM CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)C2=Cc3ccccc3CC2)n[nH]1 ZINC000059779075 823498620 /nfs/dbraw/zinc/49/86/20/823498620.db2.gz AZIDDWUXJWEEKL-UHFFFAOYSA-N -1 1 394.500 4.324 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c2)c1 ZINC000031407498 820806471 /nfs/dbraw/zinc/80/64/71/820806471.db2.gz MFGYTJRRAFLDBG-MRXNPFEDSA-N -1 1 388.533 4.302 20 0 GIADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(COc2ccc(F)cc2)o1 ZINC000031564850 820826585 /nfs/dbraw/zinc/82/65/85/820826585.db2.gz SQESYUSFMFEJMM-UHFFFAOYSA-N -1 1 387.314 4.120 20 0 GIADMM CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC000031681389 820844733 /nfs/dbraw/zinc/84/47/33/820844733.db2.gz SQIRISVOSKSXQX-QGZVFWFLSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)(C)C)cc2)ccc1F ZINC000031759186 820856226 /nfs/dbraw/zinc/85/62/26/820856226.db2.gz UIOVHIXIMTVFAO-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1 ZINC000032097409 820897648 /nfs/dbraw/zinc/89/76/48/820897648.db2.gz IXWJDOJIUNKWIR-UHFFFAOYSA-N -1 1 398.440 4.033 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](CC(C)(C)C)c2ccccc2)c(=O)[n-]1 ZINC000032380911 820930471 /nfs/dbraw/zinc/93/04/71/820930471.db2.gz ZKLLRIWTAFOTRQ-QGZVFWFLSA-N -1 1 387.549 4.439 20 0 GIADMM CC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000189940383 823516224 /nfs/dbraw/zinc/51/62/24/823516224.db2.gz UGCOKNVMLBWYSP-LBPRGKRZSA-N -1 1 396.896 4.221 20 0 GIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1)C(C)=O ZINC000032627343 820979324 /nfs/dbraw/zinc/97/93/24/820979324.db2.gz FGRNNYWZEVNNTM-UHFFFAOYSA-N -1 1 388.533 4.054 20 0 GIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032631200 820980078 /nfs/dbraw/zinc/98/00/78/820980078.db2.gz AXYRZXXIONJDPY-UHFFFAOYSA-N -1 1 383.469 4.180 20 0 GIADMM Cc1cc(C(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C3CC3)s2)c(C)o1 ZINC000123566796 823521983 /nfs/dbraw/zinc/52/19/83/823521983.db2.gz KXEUWGOMXYHGEE-UHFFFAOYSA-N -1 1 375.479 4.170 20 0 GIADMM Cc1nc(NC(=O)Cc2ccc(C)cc2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123567843 823522171 /nfs/dbraw/zinc/52/21/71/823522171.db2.gz IZIQUFYLEKBGQU-UHFFFAOYSA-N -1 1 385.518 4.197 20 0 GIADMM Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060412003 823524770 /nfs/dbraw/zinc/52/47/70/823524770.db2.gz HSIADZXWOBTUTB-UHFFFAOYSA-N -1 1 394.496 4.285 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)cc1 ZINC000460832971 823524868 /nfs/dbraw/zinc/52/48/68/823524868.db2.gz WJHQXJCALYINSQ-UHFFFAOYSA-N -1 1 387.288 4.085 20 0 GIADMM Cc1nc(-c2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)cs1 ZINC000123723051 823534986 /nfs/dbraw/zinc/53/49/86/823534986.db2.gz TVZDFDVMNWHBSM-UHFFFAOYSA-N -1 1 382.489 4.060 20 0 GIADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1OC(F)F ZINC000060499532 823535099 /nfs/dbraw/zinc/53/50/99/823535099.db2.gz LVALOXGULRQDES-CYBMUJFWSA-N -1 1 395.349 4.135 20 0 GIADMM O=C(Nc1cccc2c1CCCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043316790 821391114 /nfs/dbraw/zinc/39/11/14/821391114.db2.gz OMDBQLBCZDEAGA-UHFFFAOYSA-N -1 1 378.472 4.398 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000043759395 821454238 /nfs/dbraw/zinc/45/42/38/821454238.db2.gz JKVMCSCLKADQBU-MRXNPFEDSA-N -1 1 388.533 4.302 20 0 GIADMM C[C@@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc2ccccc2c1 ZINC000181059099 821614445 /nfs/dbraw/zinc/61/44/45/821614445.db2.gz UBGZAIQOQDQROQ-CYBMUJFWSA-N -1 1 386.448 4.093 20 0 GIADMM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc2ccccc2c1 ZINC000044857709 821673030 /nfs/dbraw/zinc/67/30/30/821673030.db2.gz MQYSCGSVWKHLGP-FQEVSTJZSA-N -1 1 383.469 4.198 20 0 GIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000181197099 821691340 /nfs/dbraw/zinc/69/13/40/821691340.db2.gz GQUGQVOXILADEC-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c(C)c1F ZINC000181325309 821760172 /nfs/dbraw/zinc/76/01/72/821760172.db2.gz HBFLKSQYPHVWME-UHFFFAOYSA-N -1 1 381.322 4.101 20 0 GIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000181699079 821949216 /nfs/dbraw/zinc/94/92/16/821949216.db2.gz PNCXOTBNYFBQIC-UHFFFAOYSA-N -1 1 393.406 4.115 20 0 GIADMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000181768477 821984846 /nfs/dbraw/zinc/98/48/46/821984846.db2.gz CILAFYZEKVOBIS-LLVKDONJSA-N -1 1 387.379 4.084 20 0 GIADMM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)F)cc1 ZINC000182535722 822288483 /nfs/dbraw/zinc/28/84/83/822288483.db2.gz UJNIXTRRZIQZMI-UHFFFAOYSA-N -1 1 399.312 4.289 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000178190064 822347782 /nfs/dbraw/zinc/34/77/82/822347782.db2.gz IULMVUXRIVNAOE-UHFFFAOYSA-N -1 1 399.806 4.132 20 0 GIADMM COc1ccc(N[C@H](c2cccs2)C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000182728686 822358551 /nfs/dbraw/zinc/35/85/51/822358551.db2.gz XIKDRCGMHXVRMF-SFHVURJKSA-N -1 1 380.535 4.472 20 0 GIADMM COc1ccc(N[C@@H]2CCCOc3c(Cl)cccc32)cc1[N-]S(C)(=O)=O ZINC000182730860 822359064 /nfs/dbraw/zinc/35/90/64/822359064.db2.gz XUCYRYMGERYCCU-OAHLLOKOSA-N -1 1 396.896 4.046 20 0 GIADMM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000182867006 822382160 /nfs/dbraw/zinc/38/21/60/822382160.db2.gz SMIXTWLAZVLQCJ-UHFFFAOYSA-N -1 1 379.865 4.366 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000045416064 822386374 /nfs/dbraw/zinc/38/63/74/822386374.db2.gz YPVKJWOPAGIEOB-LBPRGKRZSA-N -1 1 379.913 4.018 20 0 GIADMM CC(C)c1nnc(SCc2cc(=O)oc3cc([O-])ccc23)n1Cc1ccco1 ZINC000045661209 822403403 /nfs/dbraw/zinc/40/34/03/822403403.db2.gz IMMGULUXWGFMRH-UHFFFAOYSA-N -1 1 397.456 4.147 20 0 GIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H]1c1ccccc1 ZINC000045788011 822413771 /nfs/dbraw/zinc/41/37/71/822413771.db2.gz NEWVHONGTJMODZ-NRFANRHFSA-N -1 1 392.480 4.075 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000045853229 822419179 /nfs/dbraw/zinc/41/91/79/822419179.db2.gz JCMRZEXATOUGPK-GOSISDBHSA-N -1 1 378.501 4.280 20 0 GIADMM Cc1cc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)s1 ZINC000046600669 822490461 /nfs/dbraw/zinc/49/04/61/822490461.db2.gz JJOJPCHKQGWERD-AWEZNQCLSA-N -1 1 386.517 4.436 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2OC2CCCC2)c(=O)[n-]1 ZINC000046666607 822500960 /nfs/dbraw/zinc/50/09/60/822500960.db2.gz WKFKVUISPDSBAC-UHFFFAOYSA-N -1 1 387.505 4.105 20 0 GIADMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(-c4ccccn4)s3)cs2)cc1 ZINC000046755989 822513754 /nfs/dbraw/zinc/51/37/54/822513754.db2.gz XYBPTLIHLLWWEK-UHFFFAOYSA-N -1 1 379.470 4.284 20 0 GIADMM Cc1cccc2c1N(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])CC2 ZINC000179718161 822534371 /nfs/dbraw/zinc/53/43/71/822534371.db2.gz FNKWGOQMDJXULD-UHFFFAOYSA-N -1 1 394.349 4.014 20 0 GIADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000179777764 822550811 /nfs/dbraw/zinc/55/08/11/822550811.db2.gz OHSDMTRGZBSVBS-OAHLLOKOSA-N -1 1 388.261 4.032 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)cc2C)c1 ZINC000047182718 822551920 /nfs/dbraw/zinc/55/19/20/822551920.db2.gz GGTBONCLLVHKHY-UHFFFAOYSA-N -1 1 395.532 4.319 20 0 GIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000047339325 822568764 /nfs/dbraw/zinc/56/87/64/822568764.db2.gz ZRSXLYOXHOOXBS-UHFFFAOYSA-N -1 1 376.453 4.145 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC2(CCCC2)C1 ZINC000184149392 822585938 /nfs/dbraw/zinc/58/59/38/822585938.db2.gz AFUUKHXWFSAMGY-UHFFFAOYSA-N -1 1 399.516 4.285 20 0 GIADMM C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@H]1C ZINC000184149861 822586219 /nfs/dbraw/zinc/58/62/19/822586219.db2.gz IOEZLJOOWQQDDH-CVEARBPZSA-N -1 1 387.505 4.140 20 0 GIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000180274116 822652580 /nfs/dbraw/zinc/65/25/80/822652580.db2.gz VJDPTJFNOIZDLM-UHFFFAOYSA-N -1 1 387.166 4.088 20 0 GIADMM CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1(C)C ZINC000048816886 822684499 /nfs/dbraw/zinc/68/44/99/822684499.db2.gz NLQZINZWLPZZAW-CPUCHLNUSA-N -1 1 395.528 4.278 20 0 GIADMM CCn1c2ccccc2c(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1-c1ccccc1 ZINC000455649366 822691273 /nfs/dbraw/zinc/69/12/73/822691273.db2.gz YBMJYJGBXPGVKV-GOSISDBHSA-N -1 1 390.483 4.308 20 0 GIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000180510695 822693933 /nfs/dbraw/zinc/69/39/33/822693933.db2.gz MNNLUOZPJJIKSV-MAODMQOUSA-N -1 1 398.528 4.138 20 0 GIADMM Cc1nc([C@H]([N-]C(=O)C(F)(F)c2ccccc2)c2ccc(Cl)cc2)no1 ZINC000180600666 822708788 /nfs/dbraw/zinc/70/87/88/822708788.db2.gz NAABQZSUIQUUCX-OAHLLOKOSA-N -1 1 377.778 4.029 20 0 GIADMM Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455772877 822723748 /nfs/dbraw/zinc/72/37/48/822723748.db2.gz AAPGNTZRJYBIID-OAHLLOKOSA-N -1 1 387.505 4.060 20 0 GIADMM CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CC1 ZINC000455781940 822725605 /nfs/dbraw/zinc/72/56/05/822725605.db2.gz HEYYQPJCNWJSQG-UHFFFAOYSA-N -1 1 387.505 4.120 20 0 GIADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1F ZINC000185048618 822729115 /nfs/dbraw/zinc/72/91/15/822729115.db2.gz LZUXWWSXEZMMHS-CQSZACIVSA-N -1 1 397.475 4.312 20 0 GIADMM Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185054520 822729965 /nfs/dbraw/zinc/72/99/65/822729965.db2.gz PBTIEGXKRLBWBG-HNNXBMFYSA-N -1 1 379.485 4.173 20 0 GIADMM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000185082328 822734385 /nfs/dbraw/zinc/73/43/85/822734385.db2.gz STNZJWGTHMDXKH-JTQLQIEISA-N -1 1 389.814 4.288 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC3(CC3)C2)c1 ZINC000185319916 822765341 /nfs/dbraw/zinc/76/53/41/822765341.db2.gz SISIGZGEYGUOBI-UHFFFAOYSA-N -1 1 398.528 4.120 20 0 GIADMM COc1ccc(C(=O)CCCCCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456784694 822830673 /nfs/dbraw/zinc/83/06/73/822830673.db2.gz MJHMUTSPYKDIMG-UHFFFAOYSA-N -1 1 377.387 4.451 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000456787622 822830925 /nfs/dbraw/zinc/83/09/25/822830925.db2.gz QRSXSMBTYNFLQC-SGTLLEGYSA-N -1 1 394.215 4.276 20 0 GIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000185920384 822833542 /nfs/dbraw/zinc/83/35/42/822833542.db2.gz LTNYEMXZQMSFNO-UHFFFAOYSA-N -1 1 388.489 4.179 20 0 GIADMM C[C@@H](NC(=O)OC(C)(C)C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174763664 822834127 /nfs/dbraw/zinc/83/41/27/822834127.db2.gz QYOXYNYHZCWFNV-CQSZACIVSA-N -1 1 376.478 4.073 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000053434128 822835012 /nfs/dbraw/zinc/83/50/12/822835012.db2.gz HYWKLHCVZKRKFL-UHFFFAOYSA-N -1 1 390.415 4.156 20 0 GIADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(Cl)c([O-])c(OC)c3)C2)c1 ZINC000456917242 822841397 /nfs/dbraw/zinc/84/13/97/822841397.db2.gz CBDQXEHFYUXIEG-CTYIDZIISA-N -1 1 375.852 4.081 20 0 GIADMM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(Cl)ccc1[O-] ZINC000053988432 822855707 /nfs/dbraw/zinc/85/57/07/822855707.db2.gz PBLGCLVPZORZBZ-UHFFFAOYSA-N -1 1 387.842 4.280 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000457127887 822855905 /nfs/dbraw/zinc/85/59/05/822855905.db2.gz CJHWAQRWBRTJKN-UHFFFAOYSA-N -1 1 391.389 4.115 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(C)c2O)cc1 ZINC000174941037 822858721 /nfs/dbraw/zinc/85/87/21/822858721.db2.gz XQNHRUAYYVEDOK-UHFFFAOYSA-N -1 1 398.488 4.049 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)Cc2ccccc2F)cc1 ZINC000054166609 822864984 /nfs/dbraw/zinc/86/49/84/822864984.db2.gz HFUWZCWBEVTVPK-HNNXBMFYSA-N -1 1 398.507 4.193 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457335729 822867957 /nfs/dbraw/zinc/86/79/57/822867957.db2.gz XBHIHFDPPXQTAU-AWEZNQCLSA-N -1 1 381.657 4.180 20 0 GIADMM C[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CCC1 ZINC000457431844 822874680 /nfs/dbraw/zinc/87/46/80/822874680.db2.gz IGFIUHLICUVDAF-CYBMUJFWSA-N -1 1 376.453 4.001 20 0 GIADMM COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc1NC(C)=O ZINC000186315874 822875268 /nfs/dbraw/zinc/87/52/68/822875268.db2.gz XIMBKAWPPGINQX-SECBINFHSA-N -1 1 397.244 4.434 20 0 GIADMM CC[C@H](CC(F)F)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000457439246 822875286 /nfs/dbraw/zinc/87/52/86/822875286.db2.gz AZQAAPLUBKBTNH-CQSZACIVSA-N -1 1 396.459 4.416 20 0 GIADMM CCCCCc1ccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000054361988 822878324 /nfs/dbraw/zinc/87/83/24/822878324.db2.gz WERPJLOHMQSGSK-UHFFFAOYSA-N -1 1 390.487 4.054 20 0 GIADMM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)C1=Cc2ccccc2OCC1 ZINC000186436625 822895203 /nfs/dbraw/zinc/89/52/03/822895203.db2.gz XREVSKWLEKELBQ-UHFFFAOYSA-N -1 1 387.354 4.410 20 0 GIADMM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000569347975 822910018 /nfs/dbraw/zinc/91/00/18/822910018.db2.gz ZBOXYSIQTFZIBV-UHFFFAOYSA-N -1 1 392.299 4.206 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1 ZINC000569387697 822914638 /nfs/dbraw/zinc/91/46/38/822914638.db2.gz CASSSWSAGUQUNZ-UHFFFAOYSA-N -1 1 385.489 4.040 20 0 GIADMM CCS[C@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000175255453 822916208 /nfs/dbraw/zinc/91/62/08/822916208.db2.gz JKERGPAIYKSCBL-CVEARBPZSA-N -1 1 390.578 4.097 20 0 GIADMM Cc1c2ccccc2nc(N2CCN(C/C=C/c3ccccc3)CC2)c1C(=O)[O-] ZINC000569489795 822929136 /nfs/dbraw/zinc/92/91/36/822929136.db2.gz WBZYEUTUDGQAEG-JXMROGBWSA-N -1 1 387.483 4.077 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(Cl)c1[O-] ZINC000186665073 822932482 /nfs/dbraw/zinc/93/24/82/822932482.db2.gz WHKHLPFSNPJRPU-QGZVFWFLSA-N -1 1 396.270 4.311 20 0 GIADMM CCOc1cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc(Cl)c1[O-] ZINC000186680820 822936156 /nfs/dbraw/zinc/93/61/56/822936156.db2.gz MKPFQZBXZYMHCD-UHFFFAOYSA-N -1 1 399.878 4.340 20 0 GIADMM COc1ccccc1-c1nc([N-]C(=O)c2ncoc2-c2ccccc2Cl)n[nH]1 ZINC000175361227 822946208 /nfs/dbraw/zinc/94/62/08/822946208.db2.gz MCCAONCFCJBJTC-UHFFFAOYSA-N -1 1 395.806 4.041 20 0 GIADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000055315690 822951432 /nfs/dbraw/zinc/95/14/32/822951432.db2.gz IFYAKAFNZZWNHD-MGPUTAFESA-N -1 1 381.472 4.163 20 0 GIADMM CCCC1CCC(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)CC1 ZINC000055432491 822962546 /nfs/dbraw/zinc/96/25/46/822962546.db2.gz RMBBZMVGCQENRG-UHFFFAOYSA-N -1 1 388.537 4.091 20 0 GIADMM CCOc1cc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)cc(Cl)c1[O-] ZINC000186831087 822963380 /nfs/dbraw/zinc/96/33/80/822963380.db2.gz ALEMTIRNTIDBRV-UHFFFAOYSA-N -1 1 388.895 4.469 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186833663 822963883 /nfs/dbraw/zinc/96/38/83/822963883.db2.gz XOQSNJYJWBGWER-SGTLLEGYSA-N -1 1 393.842 4.186 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc(Cl)c1[O-] ZINC000186853467 822968257 /nfs/dbraw/zinc/96/82/57/822968257.db2.gz IRLKKSBADRDBOO-ZDUSSCGKSA-N -1 1 393.892 4.383 20 0 GIADMM CCOc1cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc(Cl)c1[O-] ZINC000186865502 822970926 /nfs/dbraw/zinc/97/09/26/822970926.db2.gz IUTCKDDONVBSKK-UHFFFAOYSA-N -1 1 375.852 4.202 20 0 GIADMM CCOc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000186903140 822977237 /nfs/dbraw/zinc/97/72/37/822977237.db2.gz HIGZMLNKXOISJT-UHFFFAOYSA-N -1 1 390.745 4.100 20 0 GIADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000055585980 822982609 /nfs/dbraw/zinc/98/26/09/822982609.db2.gz WIENNEVMLJQVIG-UHFFFAOYSA-N -1 1 375.837 4.032 20 0 GIADMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1F ZINC000055592806 822983773 /nfs/dbraw/zinc/98/37/73/822983773.db2.gz XVVOISAGNDWXFS-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000055595065 822984949 /nfs/dbraw/zinc/98/49/49/822984949.db2.gz XVCAQZIXFMCPGJ-UHFFFAOYSA-N -1 1 386.395 4.163 20 0 GIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055594983 822985010 /nfs/dbraw/zinc/98/50/10/822985010.db2.gz IBYWSHZXVFSMHH-UHFFFAOYSA-N -1 1 386.395 4.163 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000055663282 822995850 /nfs/dbraw/zinc/99/58/50/822995850.db2.gz UPPMBFHDIDJPJY-UHFFFAOYSA-N -1 1 394.924 4.089 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000187324569 823043744 /nfs/dbraw/zinc/04/37/44/823043744.db2.gz QNCUNBSAWCOSGV-UHFFFAOYSA-N -1 1 384.457 4.204 20 0 GIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cccc(F)c1 ZINC000060738718 823554817 /nfs/dbraw/zinc/55/48/17/823554817.db2.gz XWWRKGBHFJUKLB-UHFFFAOYSA-N -1 1 385.395 4.309 20 0 GIADMM O=S(=O)([N-]CCCOC1CCCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000060921550 823566926 /nfs/dbraw/zinc/56/69/26/823566926.db2.gz KMJJTCHAHJKVIN-UHFFFAOYSA-N -1 1 386.728 4.274 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CC[C@@H](c2ccccc2)C1 ZINC000124159596 823573030 /nfs/dbraw/zinc/57/30/30/823573030.db2.gz SFMJOYCBDXKKLR-OAHLLOKOSA-N -1 1 384.530 4.075 20 0 GIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc(-c3ccccn3)nc2C)c(F)c1F ZINC000461083520 823573094 /nfs/dbraw/zinc/57/30/94/823573094.db2.gz QCBWAVGQOSCZDZ-UHFFFAOYSA-N -1 1 391.374 4.386 20 0 GIADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1ccc(C(F)(F)F)s1 ZINC000461118958 823581024 /nfs/dbraw/zinc/58/10/24/823581024.db2.gz QWTYUDDVKANBOE-UHFFFAOYSA-N -1 1 383.800 4.156 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCC2(C1)CCCCC2 ZINC000461139955 823586165 /nfs/dbraw/zinc/58/61/65/823586165.db2.gz JEJPIJXPJWASRE-UHFFFAOYSA-N -1 1 398.528 4.284 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4c(C)n(C)nc4c3)c2)n1 ZINC000461329215 823618522 /nfs/dbraw/zinc/61/85/22/823618522.db2.gz CKAZNPIOPUJCPX-UHFFFAOYSA-N -1 1 398.513 4.114 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)ccc12 ZINC000461338823 823620415 /nfs/dbraw/zinc/62/04/15/823620415.db2.gz BVNAUVFZGSGRGB-UHFFFAOYSA-N -1 1 383.395 4.010 20 0 GIADMM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cc(-c4cccnc4)on3)n[nH]2)cc1 ZINC000124835902 823629879 /nfs/dbraw/zinc/62/98/79/823629879.db2.gz AQPRNAVZPUTGRG-UHFFFAOYSA-N -1 1 388.431 4.072 20 0 GIADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461420453 823632765 /nfs/dbraw/zinc/63/27/65/823632765.db2.gz GDGISEXIIKYWFL-UHFFFAOYSA-N -1 1 393.468 4.012 20 0 GIADMM CCCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000461430064 823635329 /nfs/dbraw/zinc/63/53/29/823635329.db2.gz SMJDPAWBXUMHRS-HNNXBMFYSA-N -1 1 392.496 4.277 20 0 GIADMM C[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)C1CCC1 ZINC000412281866 823642673 /nfs/dbraw/zinc/64/26/73/823642673.db2.gz AOILINNOXSQMOI-SSDOTTSWSA-N -1 1 377.076 4.292 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@@H]1CCC(F)(F)C1 ZINC000412294176 823643711 /nfs/dbraw/zinc/64/37/11/823643711.db2.gz ULALKKFYMAWOPJ-ZCFIWIBFSA-N -1 1 399.029 4.291 20 0 GIADMM C[C@H](CC(F)F)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294949 823643836 /nfs/dbraw/zinc/64/38/36/823643836.db2.gz XORJXBBVAUMSEN-RXMQYKEDSA-N -1 1 387.018 4.147 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1F ZINC000063181391 823654722 /nfs/dbraw/zinc/65/47/22/823654722.db2.gz MGGLJOVLIPRRLA-UHFFFAOYSA-N -1 1 380.441 4.139 20 0 GIADMM Cc1c(I)cccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000125211035 823659582 /nfs/dbraw/zinc/65/95/82/823659582.db2.gz SNUAFSQRSNQKQD-UHFFFAOYSA-N -1 1 387.604 4.211 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1Cl ZINC000063444036 823671907 /nfs/dbraw/zinc/67/19/07/823671907.db2.gz JFIBEJQGYFFBGA-UHFFFAOYSA-N -1 1 380.897 4.333 20 0 GIADMM CCCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461625018 823672440 /nfs/dbraw/zinc/67/24/40/823672440.db2.gz SYGCTEFDZWNZGS-HNNXBMFYSA-N -1 1 392.496 4.277 20 0 GIADMM CC(C)(C)OC(=O)N[N-]C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000063460737 823672891 /nfs/dbraw/zinc/67/28/91/823672891.db2.gz MMWGYVCZDLDKCK-UHFFFAOYSA-N -1 1 397.294 4.347 20 0 GIADMM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000191455887 823687141 /nfs/dbraw/zinc/68/71/41/823687141.db2.gz HHJLPDQMNPNBCJ-UHFFFAOYSA-N -1 1 379.898 4.260 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000125590028 823687824 /nfs/dbraw/zinc/68/78/24/823687824.db2.gz OPBNTUXMISNPJB-UHFFFAOYSA-N -1 1 384.457 4.456 20 0 GIADMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000063773771 823694701 /nfs/dbraw/zinc/69/47/01/823694701.db2.gz BNVQQHDGYULWOL-UHFFFAOYSA-N -1 1 394.345 4.320 20 0 GIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000063849276 823701828 /nfs/dbraw/zinc/70/18/28/823701828.db2.gz MIMHEASGJUXJTQ-UHFFFAOYSA-N -1 1 396.468 4.131 20 0 GIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)no1 ZINC000063849800 823702096 /nfs/dbraw/zinc/70/20/96/823702096.db2.gz MEXUAXYEOLDKBT-UHFFFAOYSA-N -1 1 384.244 4.153 20 0 GIADMM Cc1c(=O)[n-]c(SCc2csc(N(C)C3CC3)n2)nc1-c1ccccc1 ZINC000163888081 823757785 /nfs/dbraw/zinc/75/77/85/823757785.db2.gz TZGJNGUKSQUWJV-UHFFFAOYSA-N -1 1 384.530 4.093 20 0 GIADMM COC(=O)c1oc([C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1C ZINC000163939483 823763142 /nfs/dbraw/zinc/76/31/42/823763142.db2.gz JAUKUSMOWNAXEG-ZDUSSCGKSA-N -1 1 384.457 4.287 20 0 GIADMM CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163941506 823763156 /nfs/dbraw/zinc/76/31/56/823763156.db2.gz NXCWLOOODVQFKR-RDJZCZTQSA-N -1 1 385.533 4.017 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nc1-c1ccccc1 ZINC000163943821 823763670 /nfs/dbraw/zinc/76/36/70/823763670.db2.gz OFBJCVDONMQHBT-IBGZPJMESA-N -1 1 399.560 4.311 20 0 GIADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2F)oc1-c1ccc(Cl)cc1 ZINC000126151357 823800460 /nfs/dbraw/zinc/80/04/60/823800460.db2.gz ATTFDYACUBJYAY-UHFFFAOYSA-N -1 1 398.818 4.060 20 0 GIADMM CC(=O)Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000064373834 823802804 /nfs/dbraw/zinc/80/28/04/823802804.db2.gz ZFPWBVSDTYWKRW-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000462035656 823804899 /nfs/dbraw/zinc/80/48/99/823804899.db2.gz XEPHSRJSQRPYQQ-UHFFFAOYSA-N -1 1 376.410 4.303 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000064476752 823826871 /nfs/dbraw/zinc/82/68/71/823826871.db2.gz CKXPHAZPMKVFND-UHFFFAOYSA-N -1 1 399.472 4.108 20 0 GIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(C)CCC(C)(C)CC1 ZINC000413946737 823874233 /nfs/dbraw/zinc/87/42/33/823874233.db2.gz QMFRYDJTAATQLC-UHFFFAOYSA-N -1 1 396.535 4.208 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)c(=O)[n-]1 ZINC000413987970 823884127 /nfs/dbraw/zinc/88/41/27/823884127.db2.gz LDSIOVLCOUFZTK-AWEZNQCLSA-N -1 1 379.570 4.208 20 0 GIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)cc1 ZINC000065078990 823937387 /nfs/dbraw/zinc/93/73/87/823937387.db2.gz XBRUOHCMOCSTGM-UHFFFAOYSA-N -1 1 388.533 4.134 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cc1C(N)=O ZINC000462363946 823942271 /nfs/dbraw/zinc/94/22/71/823942271.db2.gz ZXKQYPKZIVTDIT-UHFFFAOYSA-N -1 1 388.876 4.010 20 0 GIADMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000575239394 823949283 /nfs/dbraw/zinc/94/92/83/823949283.db2.gz ADVKHPNPTKJIDS-KBPBESRZSA-N -1 1 396.459 4.039 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)c1 ZINC000065160463 823954096 /nfs/dbraw/zinc/95/40/96/823954096.db2.gz QQNXQFWHPZVFEJ-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)on1 ZINC000462392125 823957169 /nfs/dbraw/zinc/95/71/69/823957169.db2.gz KLMWZTAKLDYBHC-UHFFFAOYSA-N -1 1 377.293 4.364 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccc(Cl)cc1 ZINC000414389229 823971010 /nfs/dbraw/zinc/97/10/10/823971010.db2.gz PLKHNIZXIYXJGI-UHFFFAOYSA-N -1 1 390.814 4.019 20 0 GIADMM CC[C@@H](Cc1ccccc1)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000170810798 823977284 /nfs/dbraw/zinc/97/72/84/823977284.db2.gz JIGJRDHAPBNMDP-IBGZPJMESA-N -1 1 394.544 4.444 20 0 GIADMM Clc1cc(Cl)cc(-c2noc([N-]Cc3nnc(C4CC4)n3C3CC3)n2)c1 ZINC000127083310 824014250 /nfs/dbraw/zinc/01/42/50/824014250.db2.gz IPMVERSCXNQOFU-UHFFFAOYSA-N -1 1 391.262 4.459 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc(Cl)c1[O-] ZINC000192609834 824044845 /nfs/dbraw/zinc/04/48/45/824044845.db2.gz PHHWAAONHZMRDJ-UHFFFAOYSA-N -1 1 390.867 4.179 20 0 GIADMM O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008286671 212074847 /nfs/dbraw/zinc/07/48/47/212074847.db2.gz OEZYEAZBPJVIGL-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)cc2C[C@H]1C ZINC000570494322 823046124 /nfs/dbraw/zinc/04/61/24/823046124.db2.gz XXSLWFPLVPDVHH-CQSZACIVSA-N -1 1 384.501 4.052 20 0 GIADMM CC(C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843699 823053098 /nfs/dbraw/zinc/05/30/98/823053098.db2.gz CHULCTUOGANZDC-LBPRGKRZSA-N -1 1 396.896 4.077 20 0 GIADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 ZINC000570589291 823058493 /nfs/dbraw/zinc/05/84/93/823058493.db2.gz UVZBYYNNDYPRNV-NSHDSACASA-N -1 1 386.315 4.018 20 0 GIADMM CC[C@H](Cc1ccccc1Br)NC(=O)c1c(F)ccc([O-])c1F ZINC000570622167 823063407 /nfs/dbraw/zinc/06/34/07/823063407.db2.gz XWVLPAMJCIFETH-LLVKDONJSA-N -1 1 384.220 4.184 20 0 GIADMM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1)c1c(F)ccc([O-])c1F ZINC000570858591 823096941 /nfs/dbraw/zinc/09/69/41/823096941.db2.gz DICYNFHWEMNVTC-UHFFFAOYSA-N -1 1 384.169 4.042 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000121095883 823117537 /nfs/dbraw/zinc/11/75/37/823117537.db2.gz YAPSYHOBWUOSFP-UHFFFAOYSA-N -1 1 399.806 4.132 20 0 GIADMM COc1ccccc1-c1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000176273952 823169074 /nfs/dbraw/zinc/16/90/74/823169074.db2.gz CHNNKWGNIGCNNQ-UHFFFAOYSA-N -1 1 391.471 4.304 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3cccs3)cc2F)[n-]c1=O ZINC000188022368 823173413 /nfs/dbraw/zinc/17/34/13/823173413.db2.gz ZCCYAQGTQGZYMO-FMIVXFBMSA-N -1 1 384.432 4.375 20 0 GIADMM CCOc1cc(C(=O)NCCc2ccccc2OC(F)F)cc(Cl)c1[O-] ZINC000188031279 823174386 /nfs/dbraw/zinc/17/43/86/823174386.db2.gz MHNTXPVIOSUSHV-UHFFFAOYSA-N -1 1 385.794 4.018 20 0 GIADMM CCc1cc(=O)[n-]c(SCc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000188080842 823183080 /nfs/dbraw/zinc/18/30/80/823183080.db2.gz PTASBGFEOXPAGP-UHFFFAOYSA-N -1 1 393.921 4.314 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)c(=O)[n-]1 ZINC000571502037 823193016 /nfs/dbraw/zinc/19/30/16/823193016.db2.gz BLDPODSBPPSALJ-BMGDILEWSA-N -1 1 399.560 4.234 20 0 GIADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000571530275 823196497 /nfs/dbraw/zinc/19/64/97/823196497.db2.gz NRRDHBYCBKPFCB-GOSISDBHSA-N -1 1 383.341 4.457 20 0 GIADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1cc(Cl)sc1Cl ZINC000121566970 823207357 /nfs/dbraw/zinc/20/73/57/823207357.db2.gz VWXNASGSWJDKDS-UHFFFAOYSA-N -1 1 397.252 4.009 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000176456580 823211292 /nfs/dbraw/zinc/21/12/92/823211292.db2.gz LILXBLGIAFUORU-UHFFFAOYSA-N -1 1 377.516 4.053 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC000176493968 823220471 /nfs/dbraw/zinc/22/04/71/823220471.db2.gz DAAOBDBJOLPYQV-DEOSSOPVSA-N -1 1 379.547 4.097 20 0 GIADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188356490 823224816 /nfs/dbraw/zinc/22/48/16/823224816.db2.gz SPMUTUIDGJKPLU-UHFFFAOYSA-N -1 1 395.221 4.039 20 0 GIADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188358552 823225551 /nfs/dbraw/zinc/22/55/51/823225551.db2.gz QWNRRZOPDAAFRG-UHFFFAOYSA-N -1 1 382.178 4.449 20 0 GIADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176528621 823229734 /nfs/dbraw/zinc/22/97/34/823229734.db2.gz HWSUHBWBYQFKFM-GDBMZVCRSA-N -1 1 398.557 4.464 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000121693897 823231807 /nfs/dbraw/zinc/23/18/07/823231807.db2.gz OSUCVLOJZLGEON-MRXNPFEDSA-N -1 1 386.517 4.123 20 0 GIADMM CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000057039017 823242340 /nfs/dbraw/zinc/24/23/40/823242340.db2.gz QGTIXUWQNBKSSV-UHFFFAOYSA-N -1 1 394.909 4.360 20 0 GIADMM C[C@H]1CC[C@H](CCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)O1 ZINC000176585337 823242123 /nfs/dbraw/zinc/24/21/23/823242123.db2.gz DPNNEYXTHDMZSH-DZGCQCFKSA-N -1 1 398.484 4.043 20 0 GIADMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000176640288 823255351 /nfs/dbraw/zinc/25/53/51/823255351.db2.gz NVMTXOZNWZHCBO-UHFFFAOYSA-N -1 1 382.485 4.169 20 0 GIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCCCCC1 ZINC000057157775 823257018 /nfs/dbraw/zinc/25/70/18/823257018.db2.gz ZJSRXYPEGQYQKQ-UHFFFAOYSA-N -1 1 390.480 4.033 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3O)cc2)cc1 ZINC000003550573 817483390 /nfs/dbraw/zinc/48/33/90/817483390.db2.gz JFFQCGJWYMBLMV-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM CCN(CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000005293544 817569997 /nfs/dbraw/zinc/56/99/97/817569997.db2.gz OOVPMEHEXLJNAV-IUOVYFEOSA-N -1 1 375.856 4.456 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2sccc2[nH]1 ZINC000188630503 823276410 /nfs/dbraw/zinc/27/64/10/823276410.db2.gz UFMVKSUUWZJNMB-UHFFFAOYSA-N -1 1 397.481 4.283 20 0 GIADMM CCc1cc2c(COC(=O)c3cnc(Cl)c(Cl)c3)cc(=O)oc2cc1[O-] ZINC000006643281 817714854 /nfs/dbraw/zinc/71/48/54/817714854.db2.gz BQOOMVLZIJYMEV-UHFFFAOYSA-N -1 1 394.210 4.120 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC)CC)c2)cc1 ZINC000007054742 817748544 /nfs/dbraw/zinc/74/85/44/817748544.db2.gz INYHVCBHBCHAFP-MRXNPFEDSA-N -1 1 388.533 4.483 20 0 GIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000007362322 817824527 /nfs/dbraw/zinc/82/45/27/817824527.db2.gz QPSXFETVYRDTNI-UHFFFAOYSA-N -1 1 380.897 4.442 20 0 GIADMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)cc1 ZINC000007709109 817899489 /nfs/dbraw/zinc/89/94/89/817899489.db2.gz JQHOHKZJNSSWCF-UHFFFAOYSA-N -1 1 388.386 4.246 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1OCC ZINC000007907308 817955636 /nfs/dbraw/zinc/95/56/36/817955636.db2.gz RRCDKXUIRFIKRA-UHFFFAOYSA-N -1 1 398.912 4.004 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1 ZINC000008033590 817986739 /nfs/dbraw/zinc/98/67/39/817986739.db2.gz IHXJFYDJQXAXPD-UZLBHIALSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2SC(F)F)c1C ZINC000008108740 818001771 /nfs/dbraw/zinc/00/17/71/818001771.db2.gz ODZDDHMPCAPBEE-UHFFFAOYSA-N -1 1 387.429 4.117 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SC(F)F)n1 ZINC000011241457 818064940 /nfs/dbraw/zinc/06/49/40/818064940.db2.gz BRVFEDDCNREMFK-UHFFFAOYSA-N -1 1 385.461 4.180 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(F)(F)F)c1 ZINC000011265416 818066953 /nfs/dbraw/zinc/06/69/53/818066953.db2.gz OCCSKXFOYOZVHK-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM COc1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000460188097 823310315 /nfs/dbraw/zinc/31/03/15/823310315.db2.gz LACOBTZXLWJWHC-MRXNPFEDSA-N -1 1 377.893 4.293 20 0 GIADMM COc1cc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000460200611 823314976 /nfs/dbraw/zinc/31/49/76/823314976.db2.gz ZOAFKDUGEVNXHE-SNVBAGLBSA-N -1 1 398.684 4.178 20 0 GIADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000013059821 818201317 /nfs/dbraw/zinc/20/13/17/818201317.db2.gz ZHEVKPNKVAOPKJ-UHFFFAOYSA-N -1 1 393.770 4.166 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000015349541 818315114 /nfs/dbraw/zinc/31/51/14/818315114.db2.gz DLEBMKXVMXRVAS-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000015419676 818324088 /nfs/dbraw/zinc/32/40/88/818324088.db2.gz QDGBFSBEEOQCGX-AWEZNQCLSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000015539710 818335008 /nfs/dbraw/zinc/33/50/08/818335008.db2.gz QDGHGHCSFXQDKW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000409864784 823329990 /nfs/dbraw/zinc/32/99/90/823329990.db2.gz AKBQIFRQRFLHQC-UHFFFAOYSA-N -1 1 398.528 4.039 20 0 GIADMM CSc1nc2ccc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)cc2s1 ZINC000016153969 818398443 /nfs/dbraw/zinc/39/84/43/818398443.db2.gz UGQPVALTHXPFGZ-UHFFFAOYSA-N -1 1 378.500 4.022 20 0 GIADMM CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(C)C)c1 ZINC000572412131 823335092 /nfs/dbraw/zinc/33/50/92/823335092.db2.gz SWHLAYYWIHSKHN-OAHLLOKOSA-N -1 1 395.431 4.078 20 0 GIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000188978188 823337593 /nfs/dbraw/zinc/33/75/93/823337593.db2.gz FZKIBBFZIMCJSO-UHFFFAOYSA-N -1 1 386.517 4.123 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000016504165 818450451 /nfs/dbraw/zinc/45/04/51/818450451.db2.gz OICZPHOOHYZSGN-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(OC)c2)cc1 ZINC000016505500 818451190 /nfs/dbraw/zinc/45/11/90/818451190.db2.gz XLHTWDVIWBLFPW-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc([C@H]2CCCO2)n1 ZINC000122373926 823345646 /nfs/dbraw/zinc/34/56/46/823345646.db2.gz XUHYENOCDFJHJB-GFCCVEGCSA-N -1 1 392.893 4.419 20 0 GIADMM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[N-]c3nncs3)cc12 ZINC000021214123 818665204 /nfs/dbraw/zinc/66/52/04/818665204.db2.gz SJYZVLSITKDIDN-UHFFFAOYSA-N -1 1 375.866 4.153 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc3cnccc32)c1 ZINC000021218773 818665804 /nfs/dbraw/zinc/66/58/04/818665804.db2.gz CMMJVFGKTRXVHI-UHFFFAOYSA-N -1 1 375.457 4.103 20 0 GIADMM CCCOc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000022355457 818796078 /nfs/dbraw/zinc/79/60/78/818796078.db2.gz NWOBQXURGRNZNK-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM O=C(c1cc2c(cccc2F)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000022416593 818803453 /nfs/dbraw/zinc/80/34/53/818803453.db2.gz FDXRSRMYMPZICV-UHFFFAOYSA-N -1 1 383.444 4.481 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)n1 ZINC000022931622 818878442 /nfs/dbraw/zinc/87/84/42/818878442.db2.gz BAHBOMYPHIUETB-LLVKDONJSA-N -1 1 397.903 4.066 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(F)cccc1F ZINC000058255587 823371924 /nfs/dbraw/zinc/37/19/24/823371924.db2.gz BHBHOCDZNJTOEM-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000460406885 823378763 /nfs/dbraw/zinc/37/87/63/823378763.db2.gz DMJITQPLZPFLCP-UHFFFAOYSA-N -1 1 387.505 4.069 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000460405541 823378350 /nfs/dbraw/zinc/37/83/50/823378350.db2.gz AFQUZDQFVOWZIR-UHFFFAOYSA-N -1 1 386.517 4.021 20 0 GIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCC(C(C)(C)C)CC1 ZINC000410064919 823382892 /nfs/dbraw/zinc/38/28/92/823382892.db2.gz HKGWYNUVJVYMNS-UHFFFAOYSA-N -1 1 398.569 4.033 20 0 GIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1C ZINC000024576022 819074651 /nfs/dbraw/zinc/07/46/51/819074651.db2.gz GTVIYWVROZFJNB-UHFFFAOYSA-N -1 1 383.473 4.303 20 0 GIADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000177160194 823387139 /nfs/dbraw/zinc/38/71/39/823387139.db2.gz FQBAPFSVJJFQFB-OAHLLOKOSA-N -1 1 381.451 4.482 20 0 GIADMM CCOc1cc(F)ccc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000058448146 823392920 /nfs/dbraw/zinc/39/29/20/823392920.db2.gz UAKNGMOYUXVOBU-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189326658 823394525 /nfs/dbraw/zinc/39/45/25/823394525.db2.gz RGESIXPLBXSZPQ-UHFFFAOYSA-N -1 1 375.437 4.455 20 0 GIADMM CC(C)(c1nnc([N-]C(=O)c2occc2Br)s1)c1ccccc1 ZINC000177200763 823397542 /nfs/dbraw/zinc/39/75/42/823397542.db2.gz SYSOEQXDJBESRY-UHFFFAOYSA-N -1 1 392.278 4.472 20 0 GIADMM O=S(=O)([N-]Cc1nc(C2CC2)cs1)c1c(Cl)cc(Cl)cc1Cl ZINC000122865325 823425815 /nfs/dbraw/zinc/42/58/15/823425815.db2.gz GHKRMAUFIGXXRN-UHFFFAOYSA-N -1 1 397.736 4.459 20 0 GIADMM CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000025708918 820017148 /nfs/dbraw/zinc/01/71/48/820017148.db2.gz WZPZJIBEAAWTCD-UHFFFAOYSA-N -1 1 382.485 4.123 20 0 GIADMM CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000027155161 820202251 /nfs/dbraw/zinc/20/22/51/820202251.db2.gz UPZNHPUNULUBPK-KRWDZBQOSA-N -1 1 386.517 4.058 20 0 GIADMM CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000028275510 820322240 /nfs/dbraw/zinc/32/22/40/820322240.db2.gz RXQMRFAXUOJXLL-LBPRGKRZSA-N -1 1 380.897 4.434 20 0 GIADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(F)c1 ZINC000028323127 820324519 /nfs/dbraw/zinc/32/45/19/820324519.db2.gz ASXWAUGDMFRMSZ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C4CCCC4)n[nH]3)c2)n1 ZINC000410354997 823471820 /nfs/dbraw/zinc/47/18/20/823471820.db2.gz RCIOSCQSBXKWOC-UHFFFAOYSA-N -1 1 388.518 4.300 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3O)cc2)c1 ZINC000028818082 820360658 /nfs/dbraw/zinc/36/06/58/820360658.db2.gz LTGACXHKJDNEMQ-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2)co1 ZINC000029048016 820386890 /nfs/dbraw/zinc/38/68/90/820386890.db2.gz MHCLCUFVXHRNLK-UHFFFAOYSA-N -1 1 386.473 4.486 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CC2CCCCC2)cc1 ZINC000029366646 820444585 /nfs/dbraw/zinc/44/45/85/820444585.db2.gz IKHQVBUSVWDUAK-UHFFFAOYSA-N -1 1 388.537 4.045 20 0 GIADMM CN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000029367121 820444678 /nfs/dbraw/zinc/44/46/78/820444678.db2.gz MVIPCMBHUOEBTK-UHFFFAOYSA-N -1 1 386.517 4.140 20 0 GIADMM Cc1nc(CSc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)cs1 ZINC000029389795 820448505 /nfs/dbraw/zinc/44/85/05/820448505.db2.gz DJOMGCIAYVUQEG-UHFFFAOYSA-N -1 1 399.423 4.133 20 0 GIADMM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000573330217 823480761 /nfs/dbraw/zinc/48/07/61/823480761.db2.gz KNGMAFMIWHWBAP-QMMMGPOBSA-N -1 1 398.271 4.317 20 0 GIADMM COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000029602323 820482441 /nfs/dbraw/zinc/48/24/41/820482441.db2.gz QISVTHJUZMUBED-UHFFFAOYSA-N -1 1 394.909 4.278 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Br)o1 ZINC000189763351 823490083 /nfs/dbraw/zinc/49/00/83/823490083.db2.gz JJEUYFZUYHKASM-UHFFFAOYSA-N -1 1 398.669 4.390 20 0 GIADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030382120 820608826 /nfs/dbraw/zinc/60/88/26/820608826.db2.gz KQFUKUXFLODYKN-UZLBHIALSA-N -1 1 386.517 4.138 20 0 GIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030382128 820608954 /nfs/dbraw/zinc/60/89/54/820608954.db2.gz KQFUKUXFLODYKN-OXQOHEQNSA-N -1 1 386.517 4.138 20 0 GIADMM C[C@H](N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)(C)C ZINC000030424280 820616257 /nfs/dbraw/zinc/61/62/57/820616257.db2.gz JHHHEJFNMXPZRO-AWEZNQCLSA-N -1 1 392.496 4.133 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)cc1 ZINC000030532152 820633422 /nfs/dbraw/zinc/63/34/22/820633422.db2.gz MCNSASDWCSKTPB-UHFFFAOYSA-N -1 1 381.881 4.378 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000031377075 820799854 /nfs/dbraw/zinc/79/98/54/820799854.db2.gz PTGAKYXLKNQEFJ-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM COc1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c([O-])c1 ZINC000031471971 820815460 /nfs/dbraw/zinc/81/54/60/820815460.db2.gz BFZCOMLKOBAPOG-UHFFFAOYSA-N -1 1 384.819 4.281 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000032071853 820893768 /nfs/dbraw/zinc/89/37/68/820893768.db2.gz PXKOFHRPUZZSMO-KRWDZBQOSA-N -1 1 388.533 4.365 20 0 GIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)N1CCCCCC1 ZINC000060274856 823514069 /nfs/dbraw/zinc/51/40/69/823514069.db2.gz UZDCBCQGUJWFJL-UHFFFAOYSA-N -1 1 391.468 4.034 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)n1 ZINC000032322900 820915327 /nfs/dbraw/zinc/91/53/27/820915327.db2.gz CFACZOYWSPGVQV-INIZCTEOSA-N -1 1 379.913 4.131 20 0 GIADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1ccccc1 ZINC000032370133 820928027 /nfs/dbraw/zinc/92/80/27/820928027.db2.gz IYCZGNUOVKRHAT-UHFFFAOYSA-N -1 1 394.496 4.463 20 0 GIADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000060341781 823517238 /nfs/dbraw/zinc/51/72/38/823517238.db2.gz XEKICCMLNJJAIT-UHFFFAOYSA-N -1 1 388.514 4.475 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1Cl ZINC000032590259 820973859 /nfs/dbraw/zinc/97/38/59/820973859.db2.gz YTCKQVFNQVZQIN-UHFFFAOYSA-N -1 1 381.759 4.048 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1Cl ZINC000032600194 820975937 /nfs/dbraw/zinc/97/59/37/820975937.db2.gz KMWBMIGEVFXIDV-UHFFFAOYSA-N -1 1 395.786 4.091 20 0 GIADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C(C)C)c1 ZINC000032600883 820975987 /nfs/dbraw/zinc/97/59/87/820975987.db2.gz WGJJDGAZERENDP-UHFFFAOYSA-N -1 1 388.489 4.179 20 0 GIADMM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032631224 820980132 /nfs/dbraw/zinc/98/01/32/820980132.db2.gz HVOUGEFEIUCEKX-GOSISDBHSA-N -1 1 384.407 4.421 20 0 GIADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000032746722 821002492 /nfs/dbraw/zinc/00/24/92/821002492.db2.gz MJCIKMOGGUBRQW-ZYHUDNBSSA-N -1 1 393.270 4.337 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000060401530 823523823 /nfs/dbraw/zinc/52/38/23/823523823.db2.gz CQJOVTIFEFAEHJ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc(C)c1F ZINC000460824453 823522796 /nfs/dbraw/zinc/52/27/96/823522796.db2.gz RERYPTKTIIFCQF-UHFFFAOYSA-N -1 1 389.477 4.185 20 0 GIADMM Cc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060411920 823524690 /nfs/dbraw/zinc/52/46/90/823524690.db2.gz BVAOLNMWWPEHON-UHFFFAOYSA-N -1 1 394.496 4.367 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060411957 823524734 /nfs/dbraw/zinc/52/47/34/823524734.db2.gz ZTGIECRLHYMWMQ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460834042 823525145 /nfs/dbraw/zinc/52/51/45/823525145.db2.gz SOWRIFTVYROFGP-UHFFFAOYSA-N -1 1 389.517 4.236 20 0 GIADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000037408646 821092244 /nfs/dbraw/zinc/09/22/44/821092244.db2.gz XTBBEKPNAZMUGV-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1c(Cl)nc2sccn21 ZINC000037555569 821093109 /nfs/dbraw/zinc/09/31/09/821093109.db2.gz ACCDYFYZVIUIRM-UHFFFAOYSA-N -1 1 382.681 4.157 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccc1Cl ZINC000460837054 823525614 /nfs/dbraw/zinc/52/56/14/823525614.db2.gz AJSWPWINADSKQH-UHFFFAOYSA-N -1 1 380.897 4.397 20 0 GIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460838133 823525878 /nfs/dbraw/zinc/52/58/78/823525878.db2.gz FNYWNIJSXDWCQE-UHFFFAOYSA-N -1 1 388.533 4.305 20 0 GIADMM O=C(NCCCSc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043107987 821362274 /nfs/dbraw/zinc/36/22/74/821362274.db2.gz QZVQIXLGESCLKR-UHFFFAOYSA-N -1 1 398.528 4.179 20 0 GIADMM O=C(N[C@H]1CCSc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043166197 821371213 /nfs/dbraw/zinc/37/12/13/821371213.db2.gz PUFZFTBFQBIDCD-IBGZPJMESA-N -1 1 396.512 4.234 20 0 GIADMM COc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000043332118 821393789 /nfs/dbraw/zinc/39/37/89/821393789.db2.gz IXTHUCGOXKTVTJ-UHFFFAOYSA-N -1 1 388.851 4.181 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000043588706 821429869 /nfs/dbraw/zinc/42/98/69/821429869.db2.gz CKZBUAIFIYSPFA-UHFFFAOYSA-N -1 1 396.516 4.089 20 0 GIADMM Cc1ccc(-c2noc([C@H](C)SCCC[N-]C(=O)C(F)(F)F)n2)cc1F ZINC000180780676 821453141 /nfs/dbraw/zinc/45/31/41/821453141.db2.gz DQDDUAWISGPJIL-JTQLQIEISA-N -1 1 391.390 4.047 20 0 GIADMM O=C([N-]CCCSCc1csc(-c2ccccc2F)n1)C(F)(F)F ZINC000180785130 821456648 /nfs/dbraw/zinc/45/66/48/821456648.db2.gz XYMVLBZTLHVUFO-UHFFFAOYSA-N -1 1 378.416 4.251 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCCCc1cccs1 ZINC000181078464 821621169 /nfs/dbraw/zinc/62/11/69/821621169.db2.gz CAVZVHSCUWXWFT-UHFFFAOYSA-N -1 1 384.498 4.000 20 0 GIADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181083604 821624665 /nfs/dbraw/zinc/62/46/65/821624665.db2.gz BLIZQXPNTNZPOD-UHFFFAOYSA-N -1 1 396.827 4.158 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000181207135 821696920 /nfs/dbraw/zinc/69/69/20/821696920.db2.gz KBUSAFSTXCLHJT-UHFFFAOYSA-N -1 1 393.223 4.112 20 0 GIADMM COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([O-])cc2F)c1 ZINC000181932020 822039208 /nfs/dbraw/zinc/03/92/08/822039208.db2.gz OJWBDGOZIXRRDW-UHFFFAOYSA-N -1 1 380.375 4.045 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c2ccccc12 ZINC000182341980 822208650 /nfs/dbraw/zinc/20/86/50/822208650.db2.gz KMKOIIYVGPRVNQ-UHFFFAOYSA-N -1 1 397.481 4.209 20 0 GIADMM COc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)cc1[N-]S(C)(=O)=O ZINC000182734682 822359670 /nfs/dbraw/zinc/35/96/70/822359670.db2.gz UBHUCXORACEYBO-GWCFXTLKSA-N -1 1 384.548 4.166 20 0 GIADMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Cc3cccc(F)c3)n2)c1 ZINC000182741887 822360523 /nfs/dbraw/zinc/36/05/23/822360523.db2.gz RORWAWVECQRASN-QGZVFWFLSA-N -1 1 393.443 4.143 20 0 GIADMM CCCCc1ccc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cc1 ZINC000045074938 822361039 /nfs/dbraw/zinc/36/10/39/822361039.db2.gz MDSRERCAASRBNH-UHFFFAOYSA-N -1 1 387.534 4.120 20 0 GIADMM CO[C@@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc([C@@H]2CCCO2)n1CC(C)C ZINC000453499972 822379032 /nfs/dbraw/zinc/37/90/32/822379032.db2.gz YEMZBYWLFXHEQV-JCGIZDLHSA-N -1 1 392.931 4.049 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]c(-c2ccccc2)c1Br ZINC000182874803 822383971 /nfs/dbraw/zinc/38/39/71/822383971.db2.gz CFUZRRWYTYCRAX-UHFFFAOYSA-N -1 1 392.640 4.451 20 0 GIADMM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182900400 822388988 /nfs/dbraw/zinc/38/89/88/822388988.db2.gz XBCHZPPRBJWMCE-LBPRGKRZSA-N -1 1 392.249 4.072 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC(C)C)cc2)c1C ZINC000045473076 822389374 /nfs/dbraw/zinc/38/93/74/822389374.db2.gz BVAQQLWECYFVKE-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM CC1=NN(c2ccc(C(=O)Nc3cc(C)cc(Br)c3[O-])cc2)CC1 ZINC000182932899 822395415 /nfs/dbraw/zinc/39/54/15/822395415.db2.gz AZAQHLGMWHXLIE-UHFFFAOYSA-N -1 1 388.265 4.301 20 0 GIADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182946920 822397941 /nfs/dbraw/zinc/39/79/41/822397941.db2.gz YBLXXKDSKXRHFJ-UHFFFAOYSA-N -1 1 384.301 4.061 20 0 GIADMM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000045774307 822412095 /nfs/dbraw/zinc/41/20/95/822412095.db2.gz IDRAMTWYFMCBBO-UHFFFAOYSA-N -1 1 385.489 4.388 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000179418406 822479675 /nfs/dbraw/zinc/47/96/75/822479675.db2.gz ZPRJBZIKTYJZNM-UHFFFAOYSA-N -1 1 377.554 4.061 20 0 GIADMM Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccc(Cl)c1[O-] ZINC000179580342 822506613 /nfs/dbraw/zinc/50/66/13/822506613.db2.gz YVBCNBGPAKZSSL-UHFFFAOYSA-N -1 1 397.700 4.187 20 0 GIADMM CC1(C)CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000179614411 822513091 /nfs/dbraw/zinc/51/30/91/822513091.db2.gz APZKDOLDZQVHOJ-UHFFFAOYSA-N -1 1 388.386 4.155 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000179729187 822536694 /nfs/dbraw/zinc/53/66/94/822536694.db2.gz PXXVJBBAKKREAG-UHFFFAOYSA-N -1 1 398.484 4.249 20 0 GIADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000047339323 822568657 /nfs/dbraw/zinc/56/86/57/822568657.db2.gz MBKOOWMPFDCFOX-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000047339303 822568720 /nfs/dbraw/zinc/56/87/20/822568720.db2.gz JJXAGHFXQHSCDD-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000047339410 822568738 /nfs/dbraw/zinc/56/87/38/822568738.db2.gz YHTAVNYXMUMPSS-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1cccc(Cl)c1 ZINC000047417206 822577549 /nfs/dbraw/zinc/57/75/49/822577549.db2.gz HSPNETDIXVQJQB-UHFFFAOYSA-N -1 1 383.907 4.144 20 0 GIADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000047465964 822581853 /nfs/dbraw/zinc/58/18/53/822581853.db2.gz MAKULUYJOKZKJK-BDJLRTHQSA-N -1 1 398.406 4.101 20 0 GIADMM O=c1nc(COc2cccc(C(F)(F)F)n2)[n-]c2scc(-c3ccco3)c21 ZINC000179947412 822583322 /nfs/dbraw/zinc/58/33/22/822583322.db2.gz HCMDRYYNYSDNRY-UHFFFAOYSA-N -1 1 393.346 4.237 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)o1 ZINC000047651040 822598990 /nfs/dbraw/zinc/59/89/90/822598990.db2.gz BYNNAHGAMVECDO-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccccc1OC(F)F)CC2 ZINC000184462235 822639800 /nfs/dbraw/zinc/63/98/00/822639800.db2.gz PLYFKDVINPKDDN-UHFFFAOYSA-N -1 1 381.400 4.026 20 0 GIADMM COc1ccc(-c2nsc([N-]C(=O)c3nc(C)oc3-c3ccccc3)n2)cc1 ZINC000184686536 822676439 /nfs/dbraw/zinc/67/64/39/822676439.db2.gz VSYRUEBRXNLHBM-UHFFFAOYSA-N -1 1 392.440 4.429 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000180526204 822696297 /nfs/dbraw/zinc/69/62/97/822696297.db2.gz UOHFWILIFOTQRJ-SFHVURJKSA-N -1 1 397.368 4.136 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C)ccc2O)cc1 ZINC000050178414 822721174 /nfs/dbraw/zinc/72/11/74/822721174.db2.gz RRJJAKOYGXUZJF-UHFFFAOYSA-N -1 1 398.488 4.049 20 0 GIADMM CCN(CC1CC1)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455766062 822722442 /nfs/dbraw/zinc/72/24/42/822722442.db2.gz HRLGRIJNXYAMGK-UHFFFAOYSA-N -1 1 387.505 4.060 20 0 GIADMM CC[C@H](C)N(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455780699 822725443 /nfs/dbraw/zinc/72/54/43/822725443.db2.gz XFODRLNQCPHBPU-HNNXBMFYSA-N -1 1 375.494 4.058 20 0 GIADMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1 ZINC000185053651 822729816 /nfs/dbraw/zinc/72/98/16/822729816.db2.gz IISBNACILSCODP-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185054503 822729973 /nfs/dbraw/zinc/72/99/73/822729973.db2.gz PBTIEGXKRLBWBG-OAHLLOKOSA-N -1 1 379.485 4.173 20 0 GIADMM Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1C ZINC000185058371 822730481 /nfs/dbraw/zinc/73/04/81/822730481.db2.gz YAOHPMNWJSEHFW-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM C=Cc1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000185269181 822757315 /nfs/dbraw/zinc/75/73/15/822757315.db2.gz CXQUCULERMNXIT-UHFFFAOYSA-N -1 1 392.480 4.060 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185284880 822759509 /nfs/dbraw/zinc/75/95/09/822759509.db2.gz BXBQSXDMNCOZQV-UHFFFAOYSA-N -1 1 387.911 4.049 20 0 GIADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000174340175 822774739 /nfs/dbraw/zinc/77/47/39/822774739.db2.gz ZDJLVZKWKSRWCA-YOEHRIQHSA-N -1 1 388.537 4.043 20 0 GIADMM CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456788636 822831019 /nfs/dbraw/zinc/83/10/19/822831019.db2.gz RYKUSTPPWABQOJ-UHFFFAOYSA-N -1 1 377.387 4.451 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000053797281 822848555 /nfs/dbraw/zinc/84/85/55/822848555.db2.gz VIZHMRUUOHKYHU-UHFFFAOYSA-N -1 1 385.349 4.079 20 0 GIADMM C[C@@H](NCc1ccn(C2CCCC2)n1)c1cc(Br)cc(F)c1[O-] ZINC000186138279 822854682 /nfs/dbraw/zinc/85/46/82/822854682.db2.gz QGUGGNZWPNGXIE-LLVKDONJSA-N -1 1 382.277 4.456 20 0 GIADMM COCCOc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1 ZINC000186275477 822868741 /nfs/dbraw/zinc/86/87/41/822868741.db2.gz SMCRJKLONJGKLM-NSHDSACASA-N -1 1 384.245 4.492 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C(F)(F)F)c1 ZINC000054293491 822873518 /nfs/dbraw/zinc/87/35/18/822873518.db2.gz SBBIIJIYHYJTMT-UHFFFAOYSA-N -1 1 383.750 4.307 20 0 GIADMM CCOc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1CO ZINC000186422006 822891920 /nfs/dbraw/zinc/89/19/20/822891920.db2.gz WOYLFYDBOHMSHY-JTQLQIEISA-N -1 1 384.245 4.358 20 0 GIADMM CSc1nc(C)c(CCC(=O)Oc2ccc(Cl)c3ccccc23)c(=O)[n-]1 ZINC000054568645 822895862 /nfs/dbraw/zinc/89/58/62/822895862.db2.gz UBMVFGHADDLSEK-UHFFFAOYSA-N -1 1 388.876 4.145 20 0 GIADMM CCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1 ZINC000054611989 822899104 /nfs/dbraw/zinc/89/91/04/822899104.db2.gz IEFOJVYVZSVQTI-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccnc3C)c2)c1 ZINC000175182482 822899550 /nfs/dbraw/zinc/89/95/50/822899550.db2.gz PFUIPFXNMPMKDF-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM COc1cc([C@H](C)NC(=O)c2cc(F)ccc2[O-])ccc1OCc1ccncc1 ZINC000175199723 822902602 /nfs/dbraw/zinc/90/26/02/822902602.db2.gz TUFNESFJBWTROI-AWEZNQCLSA-N -1 1 396.418 4.005 20 0 GIADMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccc(C)cc1 ZINC000054895430 822920481 /nfs/dbraw/zinc/92/04/81/822920481.db2.gz QKBPIGACDYTLEQ-NTUHNPAUSA-N -1 1 375.500 4.465 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2ccc(Br)o2)cc(Cl)c1[O-] ZINC000186605457 822922594 /nfs/dbraw/zinc/92/25/94/822922594.db2.gz WTVUVDQYXUEDCR-UHFFFAOYSA-N -1 1 388.645 4.072 20 0 GIADMM COc1ccc(-c2nc(NC(=O)c3cc(NC(C)=O)ccc3[O-])sc2C)cc1 ZINC000055158936 822942393 /nfs/dbraw/zinc/94/23/93/822942393.db2.gz WDTXEYRLRABFHJ-UHFFFAOYSA-N -1 1 397.456 4.043 20 0 GIADMM COc1ccccc1Oc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000055160710 822942675 /nfs/dbraw/zinc/94/26/75/822942675.db2.gz WSEJOLHHKALZBQ-UHFFFAOYSA-N -1 1 392.411 4.404 20 0 GIADMM CCOc1cc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000186713569 822942920 /nfs/dbraw/zinc/94/29/20/822942920.db2.gz PRZATSDHZUATPW-UHFFFAOYSA-N -1 1 387.867 4.025 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000186716452 822943411 /nfs/dbraw/zinc/94/34/11/822943411.db2.gz NCHHDTXHIYCMNV-LLVKDONJSA-N -1 1 390.892 4.415 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)cc(Cl)c1[O-] ZINC000186741303 822948255 /nfs/dbraw/zinc/94/82/55/822948255.db2.gz UGUPRASYEFSKRH-AWEZNQCLSA-N -1 1 375.852 4.083 20 0 GIADMM Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315770 822951470 /nfs/dbraw/zinc/95/14/70/822951470.db2.gz MFWMFAPINUMSCT-UHFFFAOYSA-N -1 1 392.430 4.123 20 0 GIADMM CC(C)(C)c1ccccc1OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315495 822951484 /nfs/dbraw/zinc/95/14/84/822951484.db2.gz UPUCOTDDANHPTJ-UHFFFAOYSA-N -1 1 395.499 4.190 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)cc(Cl)c1[O-] ZINC000186773598 822953072 /nfs/dbraw/zinc/95/30/72/822953072.db2.gz CABPEMIUPWHXNC-FZKQIMNGSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](c2nccs2)c2ccccc2)cc(Cl)c1[O-] ZINC000186782252 822954722 /nfs/dbraw/zinc/95/47/22/822954722.db2.gz SDHKISOCWSHEJL-MRXNPFEDSA-N -1 1 388.876 4.420 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(N3CCSCC3)cc2)cc(Cl)c1[O-] ZINC000186831549 822963400 /nfs/dbraw/zinc/96/34/00/822963400.db2.gz VBDLXCNEBVOSFK-UHFFFAOYSA-N -1 1 392.908 4.250 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000186838013 822964754 /nfs/dbraw/zinc/96/47/54/822964754.db2.gz PNAKROIMHWZQHK-ZDUSSCGKSA-N -1 1 377.868 4.156 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)cc(Cl)c1[O-] ZINC000186853420 822968117 /nfs/dbraw/zinc/96/81/17/822968117.db2.gz NEQAIVNHUVOVCO-CYBMUJFWSA-N -1 1 399.878 4.429 20 0 GIADMM C[C@@H]1CCC[C@@H](CNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000055480596 822968659 /nfs/dbraw/zinc/96/86/59/822968659.db2.gz LIOYTDJYLOTNAD-CHWSQXEVSA-N -1 1 378.929 4.204 20 0 GIADMM CCOc1cc(C(=O)NCc2csc(-c3ccco3)n2)cc(Cl)c1[O-] ZINC000186872099 822972177 /nfs/dbraw/zinc/97/21/77/822972177.db2.gz WSSIZJAJTPRZLV-UHFFFAOYSA-N -1 1 378.837 4.091 20 0 GIADMM CCc1nc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)sc1C(C)(C)C ZINC000458267160 822975706 /nfs/dbraw/zinc/97/57/06/822975706.db2.gz CRFPBCIJCXEOKG-UHFFFAOYSA-N -1 1 394.566 4.100 20 0 GIADMM O=C(Nc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1Cl)c1ccco1 ZINC000569889502 822981213 /nfs/dbraw/zinc/98/12/13/822981213.db2.gz MWAHAWJWROTCDB-UHFFFAOYSA-N -1 1 392.745 4.421 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc(Cl)c1[O-] ZINC000186933198 822982894 /nfs/dbraw/zinc/98/28/94/822982894.db2.gz KPVZUNCPVAKJGQ-KDOFPFPSSA-N -1 1 389.879 4.342 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc(Cl)c1[O-] ZINC000186933180 822982922 /nfs/dbraw/zinc/98/29/22/822982922.db2.gz KPVZUNCPVAKJGQ-KBXCAEBGSA-N -1 1 389.879 4.342 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)cc1Cl ZINC000055592059 822983588 /nfs/dbraw/zinc/98/35/88/822983588.db2.gz KWXDNUCSPOFHOY-UHFFFAOYSA-N -1 1 396.896 4.052 20 0 GIADMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000055594941 822984938 /nfs/dbraw/zinc/98/49/38/822984938.db2.gz NYCJNJSWQJPDHI-UHFFFAOYSA-N -1 1 398.484 4.306 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000055615609 822987668 /nfs/dbraw/zinc/98/76/68/822987668.db2.gz JDMULSRSKYWTPF-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000055619808 822988451 /nfs/dbraw/zinc/98/84/51/822988451.db2.gz ZBJWVFPONKIRKR-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000055632193 822990001 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CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1 ZINC000192389399 823968614 /nfs/dbraw/zinc/96/86/14/823968614.db2.gz LEAMYFZHRSVBRV-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM COc1ccccc1COC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000575755112 823986548 /nfs/dbraw/zinc/98/65/48/823986548.db2.gz ACZCELSUMMTNFB-UHFFFAOYSA-N -1 1 389.879 4.228 20 0 GIADMM O=c1cc(C(F)(F)F)nc(SCc2nnc(-c3cccc(Cl)c3)o2)[n-]1 ZINC000127025036 824002687 /nfs/dbraw/zinc/00/26/87/824002687.db2.gz JHBNCIMUDJFGOE-UHFFFAOYSA-N -1 1 388.758 4.197 20 0 GIADMM CC(C)[C@@H]1CCC[C@H](NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000170903290 824003243 /nfs/dbraw/zinc/00/32/43/824003243.db2.gz MZGUTQSLFQMMIR-KGLIPLIRSA-N -1 1 378.567 4.390 20 0 GIADMM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000127037023 824004925 /nfs/dbraw/zinc/00/49/25/824004925.db2.gz VEQUOSDQLNHJNQ-HXUWFJFHSA-N -1 1 375.472 4.414 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000007125735 212072140 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C[C@@H]1CCCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000187727750 823120802 /nfs/dbraw/zinc/12/08/02/823120802.db2.gz WLMNMRBGHHFGIO-MRXNPFEDSA-N -1 1 387.505 4.141 20 0 GIADMM CCOc1ccccc1Oc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000176155143 823138145 /nfs/dbraw/zinc/13/81/45/823138145.db2.gz NNXRXOXVLZOGRL-UHFFFAOYSA-N -1 1 392.337 4.267 20 0 GIADMM O=S(=O)([N-]c1cc(F)c(Br)c(F)c1)c1ccc(C(F)F)cc1 ZINC000571196709 823146990 /nfs/dbraw/zinc/14/69/90/823146990.db2.gz PMAIDSDDBKJCTQ-UHFFFAOYSA-N -1 1 398.175 4.466 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000176207270 823152932 /nfs/dbraw/zinc/15/29/32/823152932.db2.gz FFOWASOFBOCZMY-UHFFFAOYSA-N -1 1 387.486 4.137 20 0 GIADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C2CC2)s1 ZINC000188055315 823178863 /nfs/dbraw/zinc/17/88/63/823178863.db2.gz NVRRWAPWRHNRPD-CYBMUJFWSA-N -1 1 395.308 4.327 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2cccc3ccccc32)cc1 ZINC000121434335 823183927 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CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000030015133 820569476 /nfs/dbraw/zinc/56/94/76/820569476.db2.gz NXFCEFMOZJKTJK-ZBFHGGJFSA-N -1 1 388.537 4.091 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000030364755 820606445 /nfs/dbraw/zinc/60/64/45/820606445.db2.gz DIIOTHXIPNMLES-INIZCTEOSA-N -1 1 391.924 4.162 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000030477492 820621418 /nfs/dbraw/zinc/62/14/18/820621418.db2.gz UHYJXDQVOJOXFA-SNVBAGLBSA-N -1 1 399.438 4.041 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C3CC3)C3CC3)ccc2C)c1 ZINC000030656035 820659366 /nfs/dbraw/zinc/65/93/66/820659366.db2.gz VUFBUVYSHWCDOO-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000031040300 820727363 /nfs/dbraw/zinc/72/73/63/820727363.db2.gz LRKVVOSDOZVYIA-LJQANCHMSA-N -1 1 378.501 4.184 20 0 GIADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000031212530 820770893 /nfs/dbraw/zinc/77/08/93/820770893.db2.gz OJRLJBSNUVLUDO-ZDUSSCGKSA-N -1 1 379.287 4.218 20 0 GIADMM CCN(CC(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000031376681 820799928 /nfs/dbraw/zinc/79/99/28/820799928.db2.gz WDUJRJBVWULODN-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM C[C@H](O[N-]C(=O)CCC1CCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000177624065 823503281 /nfs/dbraw/zinc/50/32/81/823503281.db2.gz ZQDHGIFYSZERHJ-ZDUSSCGKSA-N -1 1 386.414 4.441 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)c1 ZINC000031535009 820822756 /nfs/dbraw/zinc/82/27/56/820822756.db2.gz AHIIFZAYWRWVTQ-UHFFFAOYSA-N -1 1 392.480 4.384 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000189863578 823507591 /nfs/dbraw/zinc/50/75/91/823507591.db2.gz AROALNAEZWYHRU-UHFFFAOYSA-N -1 1 377.362 4.120 20 0 GIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000031669227 820841663 /nfs/dbraw/zinc/84/16/63/820841663.db2.gz KFWKSZUJYYWTHK-UHFFFAOYSA-N -1 1 387.288 4.389 20 0 GIADMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000031669261 820842582 /nfs/dbraw/zinc/84/25/82/820842582.db2.gz XLYJXXCCJOEODX-UHFFFAOYSA-N -1 1 386.395 4.101 20 0 GIADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1C ZINC000031776690 820857977 /nfs/dbraw/zinc/85/79/77/820857977.db2.gz NEFNKPXXJFSBCT-UHFFFAOYSA-N -1 1 381.501 4.487 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032064875 820893502 /nfs/dbraw/zinc/89/35/02/820893502.db2.gz REYFZIWJQNKIHY-CQSZACIVSA-N -1 1 394.924 4.401 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000032071734 820893838 /nfs/dbraw/zinc/89/38/38/820893838.db2.gz LGQHMEFWUPXTQZ-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000032083357 820894958 /nfs/dbraw/zinc/89/49/58/820894958.db2.gz QKCAMBUCCXSLDG-UHFFFAOYSA-N -1 1 388.533 4.168 20 0 GIADMM O=S(=O)([N-]Cc1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl ZINC000032551531 820967594 /nfs/dbraw/zinc/96/75/94/820967594.db2.gz LIVUKLXIYNBNSF-UHFFFAOYSA-N -1 1 388.244 4.135 20 0 GIADMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(F)c2ncccc12 ZINC000032585959 820972957 /nfs/dbraw/zinc/97/29/57/820972957.db2.gz JKUPBOFQVCWQBY-UHFFFAOYSA-N -1 1 386.326 4.073 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)cc1F ZINC000032591461 820974376 /nfs/dbraw/zinc/97/43/76/820974376.db2.gz CRXLRWCBSZVFGL-UHFFFAOYSA-N -1 1 387.860 4.323 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)c1 ZINC000032596843 820975242 /nfs/dbraw/zinc/97/52/42/820975242.db2.gz NDLRQALJXXUHHJ-UHFFFAOYSA-N -1 1 399.443 4.408 20 0 GIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)C(C)=O ZINC000032599222 820975929 /nfs/dbraw/zinc/97/59/29/820975929.db2.gz JREWJVXDFBFNTD-UHFFFAOYSA-N -1 1 382.485 4.009 20 0 GIADMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1)C(C)=O ZINC000032599423 820976066 /nfs/dbraw/zinc/97/60/66/820976066.db2.gz PFPSMKNYAQHKOF-UHFFFAOYSA-N -1 1 388.533 4.054 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1 ZINC000177747960 823520026 /nfs/dbraw/zinc/52/00/26/823520026.db2.gz DSWXYFHVIPHBTM-UHFFFAOYSA-N -1 1 392.908 4.252 20 0 GIADMM O=C([O-])c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000060376661 823521568 /nfs/dbraw/zinc/52/15/68/823521568.db2.gz OTJYNDVKWHQLCK-UHFFFAOYSA-N -1 1 387.388 4.117 20 0 GIADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000033098673 821033723 /nfs/dbraw/zinc/03/37/23/821033723.db2.gz TYAKMLVXGNGWKL-LPHOPBHVSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000033148049 821038704 /nfs/dbraw/zinc/03/87/04/821038704.db2.gz KDAUSBQRRXYOAX-UHFFFAOYSA-N -1 1 378.494 4.041 20 0 GIADMM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123644027 823528688 /nfs/dbraw/zinc/52/86/88/823528688.db2.gz HCTYQJJNZPXVGI-MSOLQXFVSA-N -1 1 396.468 4.131 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c2ccccc12 ZINC000035685432 821066724 /nfs/dbraw/zinc/06/67/24/821066724.db2.gz KKJHGAJBWBMYOO-UHFFFAOYSA-N -1 1 392.274 4.412 20 0 GIADMM Cc1ccc(F)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412110 823524756 /nfs/dbraw/zinc/52/47/56/823524756.db2.gz YOOYMNUKWJQCQK-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000036888498 821089137 /nfs/dbraw/zinc/08/91/37/821089137.db2.gz YCVNSQQMECSGCW-ZDUSSCGKSA-N -1 1 380.897 4.059 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000460839725 823526261 /nfs/dbraw/zinc/52/62/61/823526261.db2.gz KKMJBYBCDAAEST-UHFFFAOYSA-N -1 1 382.489 4.273 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000041475532 821196061 /nfs/dbraw/zinc/19/60/61/821196061.db2.gz FCSFPCHXLYNRTK-OAHLLOKOSA-N -1 1 392.496 4.196 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000041475535 821196099 /nfs/dbraw/zinc/19/60/99/821196099.db2.gz FCSFPCHXLYNRTK-HNNXBMFYSA-N -1 1 392.496 4.196 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000123725809 823535259 /nfs/dbraw/zinc/53/52/59/823535259.db2.gz MBDWJKUDWWHZNI-UHFFFAOYSA-N -1 1 397.475 4.060 20 0 GIADMM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000060525495 823538363 /nfs/dbraw/zinc/53/83/63/823538363.db2.gz KCUJTLYYPRVKHH-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1Cl ZINC000042005224 821253492 /nfs/dbraw/zinc/25/34/92/821253492.db2.gz RZGSXESOYHUWLZ-UHFFFAOYSA-N -1 1 378.837 4.113 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180716049 821414128 /nfs/dbraw/zinc/41/41/28/821414128.db2.gz KZHNKVICXIEADG-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM COc1ccc(NCc2ccc(Oc3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000181012542 821592942 /nfs/dbraw/zinc/59/29/42/821592942.db2.gz YMWQTOPUHCGPEY-UHFFFAOYSA-N -1 1 388.445 4.064 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)c(F)c2)cc1 ZINC000181210915 821698995 /nfs/dbraw/zinc/69/89/95/821698995.db2.gz YQQFKTQYIMUSQF-GFCCVEGCSA-N -1 1 380.441 4.318 20 0 GIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)c2)n1 ZINC000181731805 821966380 /nfs/dbraw/zinc/96/63/80/821966380.db2.gz GBQMAMIMKZGYNY-UHFFFAOYSA-N -1 1 394.399 4.095 20 0 GIADMM CCc1ccnc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000181741559 821971972 /nfs/dbraw/zinc/97/19/72/821971972.db2.gz YLRFGERYKDFXIM-UHFFFAOYSA-N -1 1 395.484 4.006 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c2ccccc12 ZINC000182302840 822193935 /nfs/dbraw/zinc/19/39/35/822193935.db2.gz NYUROWNZUPPSGQ-UHFFFAOYSA-N -1 1 397.481 4.209 20 0 GIADMM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182437984 822242698 /nfs/dbraw/zinc/24/26/98/822242698.db2.gz DFDTWVPPTPJWTJ-FQEVSTJZSA-N -1 1 389.455 4.205 20 0 GIADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc2[nH]1 ZINC000182497571 822268464 /nfs/dbraw/zinc/26/84/64/822268464.db2.gz TXSMULCNEARUMZ-UHFFFAOYSA-N -1 1 378.453 4.045 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1F ZINC000182515253 822277609 /nfs/dbraw/zinc/27/76/09/822277609.db2.gz WNENNTHFSISKPT-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM Cc1cccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c1F ZINC000182537892 822289373 /nfs/dbraw/zinc/28/93/73/822289373.db2.gz SVXLVHIEZUQMIU-UHFFFAOYSA-N -1 1 386.301 4.203 20 0 GIADMM O=c1cc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)c2ccc([O-])cc2o1 ZINC000182592294 822315232 /nfs/dbraw/zinc/31/52/32/822315232.db2.gz NFCYUULDXVTESU-KRWDZBQOSA-N -1 1 385.288 4.170 20 0 GIADMM COc1ccc(N[C@H]2CCCOc3c(Cl)cccc32)cc1[N-]S(C)(=O)=O ZINC000182730878 822359069 /nfs/dbraw/zinc/35/90/69/822359069.db2.gz XUCYRYMGERYCCU-HNNXBMFYSA-N -1 1 396.896 4.046 20 0 GIADMM Cc1noc(CSc2ccccc2C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000182864351 822381690 /nfs/dbraw/zinc/38/16/90/822381690.db2.gz ADGJBMWNSLQLSV-UHFFFAOYSA-N -1 1 375.837 4.282 20 0 GIADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182872840 822383547 /nfs/dbraw/zinc/38/35/47/822383547.db2.gz XIWSXPWSBVSBLP-MRXNPFEDSA-N -1 1 376.840 4.250 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000182873635 822383701 /nfs/dbraw/zinc/38/37/01/822383701.db2.gz FXPUEMDAOHFWPS-QGZVFWFLSA-N -1 1 395.267 4.267 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000182922064 822393225 /nfs/dbraw/zinc/39/32/25/822393225.db2.gz QQGIVHJKTUMFMF-INIZCTEOSA-N -1 1 376.250 4.106 20 0 GIADMM C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CC[C@H](C(=O)[O-])C1 ZINC000178893301 822419711 /nfs/dbraw/zinc/41/97/11/822419711.db2.gz KAEZDMUSINUPLO-HOCLYGCPSA-N -1 1 383.879 4.206 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000046588440 822488953 /nfs/dbraw/zinc/48/89/53/822488953.db2.gz SXPHMFRAXDSCEZ-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1cc(C)cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611637 822491957 /nfs/dbraw/zinc/49/19/57/822491957.db2.gz UWLITJHTCNOWPF-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1cccc(CCC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046611801 822492161 /nfs/dbraw/zinc/49/21/61/822492161.db2.gz ZRQXTAUMEGKXIS-UHFFFAOYSA-N -1 1 394.496 4.367 20 0 GIADMM CC(C)C[C@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179688946 822528088 /nfs/dbraw/zinc/52/80/88/822528088.db2.gz XPLJMIYZSWTAEM-GFCCVEGCSA-N -1 1 388.386 4.011 20 0 GIADMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000179700652 822530363 /nfs/dbraw/zinc/53/03/63/822530363.db2.gz IRDZGJZKQKGMME-JTQLQIEISA-N -1 1 391.290 4.125 20 0 GIADMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000179700669 822530449 /nfs/dbraw/zinc/53/04/49/822530449.db2.gz IRDZGJZKQKGMME-SNVBAGLBSA-N -1 1 391.290 4.125 20 0 GIADMM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183821888 822532176 /nfs/dbraw/zinc/53/21/76/822532176.db2.gz CORWQKKIWCLHPB-UHFFFAOYSA-N -1 1 378.453 4.115 20 0 GIADMM C[C@H](N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1(C)CC1 ZINC000179769512 822549048 /nfs/dbraw/zinc/54/90/48/822549048.db2.gz NVBUYJQBTUSYJJ-LBPRGKRZSA-N -1 1 388.414 4.183 20 0 GIADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179871415 822569174 /nfs/dbraw/zinc/56/91/74/822569174.db2.gz SOGRFRIECWAUKD-UHFFFAOYSA-N -1 1 396.915 4.297 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(-c2nccs2)c1 ZINC000047480828 822582753 /nfs/dbraw/zinc/58/27/53/822582753.db2.gz NTSIEYMHOKMSCT-UHFFFAOYSA-N -1 1 399.526 4.431 20 0 GIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000180278435 822653482 /nfs/dbraw/zinc/65/34/82/822653482.db2.gz LBEPEYYQDDXIKC-UHFFFAOYSA-N -1 1 387.166 4.088 20 0 GIADMM C[C@H](CCCc1ccccc1)C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000180309911 822661308 /nfs/dbraw/zinc/66/13/08/822661308.db2.gz ACYORNNMVXUWTL-CYBMUJFWSA-N -1 1 379.287 4.413 20 0 GIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180328224 822664264 /nfs/dbraw/zinc/66/42/64/822664264.db2.gz LORHOSHSQCSDFF-UHFFFAOYSA-N -1 1 377.778 4.455 20 0 GIADMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)o1 ZINC000180426176 822679741 /nfs/dbraw/zinc/67/97/41/822679741.db2.gz NVZVCELJSBIDJX-FZMUQLTDSA-N -1 1 390.313 4.194 20 0 GIADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@H]12 ZINC000180510665 822694028 /nfs/dbraw/zinc/69/40/28/822694028.db2.gz MNNLUOZPJJIKSV-HBGVWJBISA-N -1 1 398.528 4.138 20 0 GIADMM CCc1c(C)sc2nc(-c3ccccc3I)[n-]c(=O)c21 ZINC000049488606 822701110 /nfs/dbraw/zinc/70/11/10/822701110.db2.gz DDSBUONJARVYEE-UHFFFAOYSA-N -1 1 396.253 4.127 20 0 GIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184876796 822705587 /nfs/dbraw/zinc/70/55/87/822705587.db2.gz XHKUPRFPFZWHFV-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455780678 822725381 /nfs/dbraw/zinc/72/53/81/822725381.db2.gz XDIASSSWDARKNO-HOCLYGCPSA-N -1 1 387.505 4.058 20 0 GIADMM CC[C@@H](C)N(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455789261 822726924 /nfs/dbraw/zinc/72/69/24/822726924.db2.gz KZRZQDGZUYPZMZ-MRXNPFEDSA-N -1 1 389.521 4.366 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(-c3ccccc3)no2)nc1-c1ccccc1 ZINC000185050378 822729415 /nfs/dbraw/zinc/72/94/15/822729415.db2.gz NPDPFPZGIQAGDT-UHFFFAOYSA-N -1 1 376.441 4.088 20 0 GIADMM COc1ccc(C)cc1C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185056426 822730120 /nfs/dbraw/zinc/73/01/20/822730120.db2.gz BWJHWEWMQMQYQH-UHFFFAOYSA-N -1 1 380.469 4.037 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N(C)C2CCCCC2)nc1-c1ccccc1 ZINC000185057293 822730292 /nfs/dbraw/zinc/73/02/92/822730292.db2.gz HZQLWZUSPQSJPP-HNNXBMFYSA-N -1 1 385.533 4.017 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185328151 822766760 /nfs/dbraw/zinc/76/67/60/822766760.db2.gz FJGGJNOSVNAEJB-JTQLQIEISA-N -1 1 387.892 4.098 20 0 GIADMM CCS[C@H]1CC[C@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000174410961 822786569 /nfs/dbraw/zinc/78/65/69/822786569.db2.gz ZCEJGRFDEJWLQT-HOTGVXAUSA-N -1 1 390.578 4.049 20 0 GIADMM CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000052017885 822787553 /nfs/dbraw/zinc/78/75/53/822787553.db2.gz RFWUKWVSAMSKMY-UHFFFAOYSA-N -1 1 383.469 4.121 20 0 GIADMM CCOc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(F)c2F)cc1OCC ZINC000456791586 822831343 /nfs/dbraw/zinc/83/13/43/822831343.db2.gz YTNXZBFJLXWPSP-UHFFFAOYSA-N -1 1 379.403 4.384 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185961535 822837941 /nfs/dbraw/zinc/83/79/41/822837941.db2.gz MAUOQMOPDYWKEI-INIZCTEOSA-N -1 1 396.668 4.022 20 0 GIADMM CC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nc(C(F)(F)F)cs1 ZINC000185962301 822838065 /nfs/dbraw/zinc/83/80/65/822838065.db2.gz UVXMPWPPHARILI-GFCCVEGCSA-N -1 1 384.379 4.215 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175094566 822881170 /nfs/dbraw/zinc/88/11/70/822881170.db2.gz KECAJFSUVLTQMO-ZDUSSCGKSA-N -1 1 395.484 4.084 20 0 GIADMM Cc1c(C(=O)Nc2ccccc2)sc2[n-]c(COc3ccccc3)nc(=O)c12 ZINC000054752620 822910153 /nfs/dbraw/zinc/91/01/53/822910153.db2.gz NEQGWRWQYSODMV-UHFFFAOYSA-N -1 1 391.452 4.124 20 0 GIADMM COc1ccccc1-c1nc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n[nH]1 ZINC000054775530 822911727 /nfs/dbraw/zinc/91/17/27/822911727.db2.gz ZHBKMXPMQAHHND-UHFFFAOYSA-N -1 1 395.806 4.041 20 0 GIADMM O=C([O-])[C@@]1(NCc2ccc(-c3ccncc3)cc2F)CCc2c1cccc2F ZINC000569463406 822926091 /nfs/dbraw/zinc/92/60/91/822926091.db2.gz NITOTEJIQYWTNF-JOCHJYFZSA-N -1 1 380.394 4.043 20 0 GIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1)[C@@H]1C[C@@H]1C ZINC000569544861 822937760 /nfs/dbraw/zinc/93/77/60/822937760.db2.gz CVMBIFXVEGKTSF-BBATYDOGSA-N -1 1 396.871 4.041 20 0 GIADMM CCOc1cc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186697760 822939868 /nfs/dbraw/zinc/93/98/68/822939868.db2.gz CXJKCJAYIAZECC-FOIQADDNSA-N -1 1 389.879 4.342 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2C)cc1 ZINC000175346334 822940943 /nfs/dbraw/zinc/94/09/43/822940943.db2.gz DKUOFFXSCZVNLH-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457940571 822941079 /nfs/dbraw/zinc/94/10/79/822941079.db2.gz RYUMWGWHAKPOLL-GOSISDBHSA-N -1 1 393.405 4.367 20 0 GIADMM CCCN(CC1CC1)C(=O)CCn1c(=S)[n-]nc1-c1ccc(OCC)cc1 ZINC000055201030 822945368 /nfs/dbraw/zinc/94/53/68/822945368.db2.gz WWOGSFSBTRTBSU-UHFFFAOYSA-N -1 1 388.537 4.045 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000055595467 822985269 /nfs/dbraw/zinc/98/52/69/822985269.db2.gz HHQATFVMIZGPDG-UHFFFAOYSA-N -1 1 384.501 4.023 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000055615557 822987746 /nfs/dbraw/zinc/98/77/46/822987746.db2.gz IUGATHCBMRUBQT-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)cc1 ZINC000055621354 822989088 /nfs/dbraw/zinc/98/90/88/822989088.db2.gz TUJFFCHBUPYUMC-UHFFFAOYSA-N -1 1 387.505 4.068 20 0 GIADMM O=S(=O)([N-]c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000055631699 822989779 /nfs/dbraw/zinc/98/97/79/822989779.db2.gz CSONUDHPHGWEDZ-FQEVSTJZSA-N -1 1 383.469 4.198 20 0 GIADMM CC[C@@H](C)Oc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000055641023 822991045 /nfs/dbraw/zinc/99/10/45/822991045.db2.gz LVEYMGVCECOODH-GFCCVEGCSA-N -1 1 388.518 4.485 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc3ccn(CCOC)c3c2)cc(Cl)c1[O-] ZINC000186984598 822992465 /nfs/dbraw/zinc/99/24/65/822992465.db2.gz DKLWOQNOOPUHME-UHFFFAOYSA-N -1 1 388.851 4.298 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000055650765 822993202 /nfs/dbraw/zinc/99/32/02/822993202.db2.gz RFCZNUSZNZDGEO-UHFFFAOYSA-N -1 1 392.908 4.075 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000055663194 822995644 /nfs/dbraw/zinc/99/56/44/822995644.db2.gz RTCCXADEGBZCJU-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)cc1 ZINC000570026942 822998831 /nfs/dbraw/zinc/99/88/31/822998831.db2.gz RNRMNFXFJJYENY-QGZVFWFLSA-N -1 1 398.528 4.201 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1F ZINC000055688009 822999619 /nfs/dbraw/zinc/99/96/19/822999619.db2.gz CQWOLVAXJITADO-UHFFFAOYSA-N -1 1 387.432 4.214 20 0 GIADMM Cc1nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)sc1-c1n[n-]c(=S)n1C ZINC000175666873 823016222 /nfs/dbraw/zinc/01/62/22/823016222.db2.gz GBJTURMBHPHBLV-LURJTMIESA-N -1 1 399.954 4.367 20 0 GIADMM O=C([O-])c1cccc(OCCN(Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000570220515 823016443 /nfs/dbraw/zinc/01/64/43/823016443.db2.gz UJHOBPHJDMQMBL-UHFFFAOYSA-N -1 1 375.415 4.487 20 0 GIADMM O=S(=O)([N-]c1cccc2c1CN(CC(F)(F)F)C2)c1cccc(Cl)c1 ZINC000187141477 823016883 /nfs/dbraw/zinc/01/68/83/823016883.db2.gz FTKUBCIJCMJHSL-UHFFFAOYSA-N -1 1 390.814 4.019 20 0 GIADMM CCOc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(Cl)c1[O-] ZINC000570375290 823031064 /nfs/dbraw/zinc/03/10/64/823031064.db2.gz UTVMZMGPJSBMRT-TZMCWYRMSA-N -1 1 381.881 4.156 20 0 GIADMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccc([O-])cc1F ZINC000187311397 823041410 /nfs/dbraw/zinc/04/14/10/823041410.db2.gz ATYQZJIHTUUKRI-AWEZNQCLSA-N -1 1 379.815 4.385 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCc2cc3ccccc3o2)cc1 ZINC000123921677 823551964 /nfs/dbraw/zinc/55/19/64/823551964.db2.gz PUUBBGZLLQWKQC-UHFFFAOYSA-N -1 1 392.484 4.021 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)cc2)cc1 ZINC000460972206 823553301 /nfs/dbraw/zinc/55/33/01/823553301.db2.gz RICXTPMREVMMOS-FQEVSTJZSA-N -1 1 398.528 4.056 20 0 GIADMM Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123988341 823558072 /nfs/dbraw/zinc/55/80/72/823558072.db2.gz PCXWTWZOOMOGQH-UHFFFAOYSA-N -1 1 384.501 4.171 20 0 GIADMM COc1ccsc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000190371719 823567140 /nfs/dbraw/zinc/56/71/40/823567140.db2.gz AOSMNFWLGQYQSL-UHFFFAOYSA-N -1 1 385.470 4.101 20 0 GIADMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000190378239 823567736 /nfs/dbraw/zinc/56/77/36/823567736.db2.gz LRNRIIOJBMLTKJ-UHFFFAOYSA-N -1 1 399.369 4.139 20 0 GIADMM C[C@@H]1CCC[C@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000124149005 823572125 /nfs/dbraw/zinc/57/21/25/823572125.db2.gz NVDXFUMDTBVUNL-DOMZBBRYSA-N -1 1 378.929 4.298 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)CC[C@@H]1C(F)(F)F ZINC000190749407 823604910 /nfs/dbraw/zinc/60/49/10/823604910.db2.gz VLKUSHCCYAINJJ-LBPRGKRZSA-N -1 1 380.204 4.205 20 0 GIADMM C[C@H]1CN(Cc2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000190943790 823628167 /nfs/dbraw/zinc/62/81/67/823628167.db2.gz RQDADMDPBHMKMI-KBPBESRZSA-N -1 1 389.883 4.299 20 0 GIADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000412258032 823640725 /nfs/dbraw/zinc/64/07/25/823640725.db2.gz OGYIAFHKGNQBAQ-OAHLLOKOSA-N -1 1 398.850 4.059 20 0 GIADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000412258032 823640728 /nfs/dbraw/zinc/64/07/28/823640728.db2.gz OGYIAFHKGNQBAQ-OAHLLOKOSA-N -1 1 398.850 4.059 20 0 GIADMM C[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)C(F)(F)F ZINC000412292268 823643495 /nfs/dbraw/zinc/64/34/95/823643495.db2.gz PHQUORJRIPPMJG-SCSAIBSYSA-N -1 1 390.981 4.054 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@H]1CCC(F)(F)C1 ZINC000412294174 823643615 /nfs/dbraw/zinc/64/36/15/823643615.db2.gz ULALKKFYMAWOPJ-LURJTMIESA-N -1 1 399.029 4.291 20 0 GIADMM CCc1cc(O)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191060776 823643638 /nfs/dbraw/zinc/64/36/38/823643638.db2.gz PXCXOFRYJGPMEE-UHFFFAOYSA-N -1 1 396.468 4.008 20 0 GIADMM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000062930342 823649496 /nfs/dbraw/zinc/64/94/96/823649496.db2.gz FCZGHMSEDQIXNG-SDNWHVSQSA-N -1 1 395.908 4.476 20 0 GIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c1OC ZINC000191126749 823651954 /nfs/dbraw/zinc/65/19/54/823651954.db2.gz AZNXWKNDJGKHDH-UHFFFAOYSA-N -1 1 387.436 4.231 20 0 GIADMM CCOc1cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2CC)cc(Cl)c1[O-] ZINC000461515679 823652314 /nfs/dbraw/zinc/65/23/14/823652314.db2.gz JCMXEFZYYQWNNP-INIZCTEOSA-N -1 1 388.895 4.185 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c(C)s1 ZINC000125139110 823654344 /nfs/dbraw/zinc/65/43/44/823654344.db2.gz IIXWVERLEWKMMQ-UHFFFAOYSA-N -1 1 390.486 4.319 20 0 GIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000191276428 823666406 /nfs/dbraw/zinc/66/64/06/823666406.db2.gz PZKBDIRYOLQMMZ-UHFFFAOYSA-N -1 1 388.489 4.008 20 0 GIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000191276939 823666458 /nfs/dbraw/zinc/66/64/58/823666458.db2.gz VAQKFMFIJRQNHB-UHFFFAOYSA-N -1 1 386.521 4.153 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412734714 823678940 /nfs/dbraw/zinc/67/89/40/823678940.db2.gz HPKYZIFUCPAVRR-SFHVURJKSA-N -1 1 391.389 4.405 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000063635112 823685448 /nfs/dbraw/zinc/68/54/48/823685448.db2.gz LRPSYHRDQNQLCF-UHFFFAOYSA-N -1 1 399.459 4.099 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000063635119 823685514 /nfs/dbraw/zinc/68/55/14/823685514.db2.gz SVXDDZIANIJMJM-UHFFFAOYSA-N -1 1 397.924 4.474 20 0 GIADMM COc1ccc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)[n-]c(=O)c2c1 ZINC000461726658 823688253 /nfs/dbraw/zinc/68/82/53/823688253.db2.gz MWHQSNMOBRNTOC-UHFFFAOYSA-N -1 1 375.413 4.011 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccc2ccccc2c1 ZINC000063722173 823691557 /nfs/dbraw/zinc/69/15/57/823691557.db2.gz DWVDPLBENDEWHM-UHFFFAOYSA-N -1 1 382.485 4.268 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1F ZINC000063878312 823704511 /nfs/dbraw/zinc/70/45/11/823704511.db2.gz QHWJKWXEXLUWGY-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1F ZINC000063876906 823704540 /nfs/dbraw/zinc/70/45/40/823704540.db2.gz VVMATGSQIDJBKF-UHFFFAOYSA-N -1 1 398.626 4.285 20 0 GIADMM O=S(=O)([N-][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000163385329 823705528 /nfs/dbraw/zinc/70/55/28/823705528.db2.gz DUJPFMGBYBYIGP-RYUDHWBXSA-N -1 1 392.329 4.254 20 0 GIADMM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163890798 823757592 /nfs/dbraw/zinc/75/75/92/823757592.db2.gz KJIVGRFJKWSEIK-OAHLLOKOSA-N -1 1 379.485 4.173 20 0 GIADMM CSc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000163922566 823761553 /nfs/dbraw/zinc/76/15/53/823761553.db2.gz XGXOVPJVRAFZQN-UHFFFAOYSA-N -1 1 397.525 4.198 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N(C(C)C)C2CCCC2)nc1-c1ccccc1 ZINC000163937199 823762685 /nfs/dbraw/zinc/76/26/85/823762685.db2.gz VNWPQROFUNNJGI-UHFFFAOYSA-N -1 1 385.533 4.017 20 0 GIADMM Cc1c(=O)[n-]c(SCc2noc(Cc3ccccc3)n2)nc1-c1ccccc1 ZINC000163946162 823764285 /nfs/dbraw/zinc/76/42/85/823764285.db2.gz JKNHWRSFRCDMFQ-UHFFFAOYSA-N -1 1 390.468 4.011 20 0 GIADMM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(CC(F)(F)F)cc1 ZINC000191790063 823768898 /nfs/dbraw/zinc/76/88/98/823768898.db2.gz XGVBIQBLXQYTBR-UHFFFAOYSA-N -1 1 385.194 4.294 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)ccc1C ZINC000191804432 823774414 /nfs/dbraw/zinc/77/44/14/823774414.db2.gz YEFWMXXIDXUMLC-UHFFFAOYSA-N -1 1 391.251 4.200 20 0 GIADMM CCC(C)(C)C1CCC(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000064355052 823799602 /nfs/dbraw/zinc/79/96/02/823799602.db2.gz GQQTYHGKYXYKKV-UHFFFAOYSA-N -1 1 386.540 4.096 20 0 GIADMM CCCCCOc1ccc(Br)cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000164651204 823814719 /nfs/dbraw/zinc/81/47/19/823814719.db2.gz WFDWLGNTPYBQRS-AWEZNQCLSA-N -1 1 384.314 4.315 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1 ZINC000064475219 823825980 /nfs/dbraw/zinc/82/59/80/823825980.db2.gz VMMBHFJAZWLBKW-UHFFFAOYSA-N -1 1 391.543 4.094 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1 ZINC000064477262 823826738 /nfs/dbraw/zinc/82/67/38/823826738.db2.gz YSJFAIAMQBPGMF-UHFFFAOYSA-N -1 1 390.505 4.261 20 0 GIADMM Cc1ccc(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)c(C)c1 ZINC000575079068 823906374 /nfs/dbraw/zinc/90/63/74/823906374.db2.gz IXLYCSFJRORFAW-UHFFFAOYSA-N -1 1 384.657 4.442 20 0 GIADMM CC(=O)N(Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1)C(C)C ZINC000192218208 823906929 /nfs/dbraw/zinc/90/69/29/823906929.db2.gz MZHSBRSVBCFROT-UHFFFAOYSA-N -1 1 375.856 4.447 20 0 GIADMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462399828 823960050 /nfs/dbraw/zinc/96/00/50/823960050.db2.gz CELNKURXVLFCQU-SNVBAGLBSA-N -1 1 395.739 4.285 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1SC ZINC000414384303 823970449 /nfs/dbraw/zinc/97/04/49/823970449.db2.gz CAAPEAZZHNZBKY-UHFFFAOYSA-N -1 1 379.503 4.057 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)c1C ZINC000414385429 823970878 /nfs/dbraw/zinc/97/08/78/823970878.db2.gz VXPOHYZFTLNKPK-UHFFFAOYSA-N -1 1 396.896 4.196 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)c3ccccc32)cc1 ZINC000126940504 823985816 /nfs/dbraw/zinc/98/58/16/823985816.db2.gz OMOMTHYEBCODGF-CQSZACIVSA-N -1 1 394.500 4.157 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN(C)CCCC(=O)[O-])c1 ZINC000414643498 824020720 /nfs/dbraw/zinc/02/07/20/824020720.db2.gz XLFPBPQTJAVHGA-UHFFFAOYSA-N -1 1 377.868 4.224 20 0 GIADMM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cc(F)c(O)c(F)c3)nc(=O)c12 ZINC000832853461 601393766 /nfs/dbraw/zinc/39/37/66/601393766.db2.gz XUBDHKKNMZPPEI-UQCOIBPSSA-N -1 1 398.774 4.124 20 0 GIADMM CC(C)(C)[C@H](NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1cccs1 ZINC000570555379 823054046 /nfs/dbraw/zinc/05/40/46/823054046.db2.gz YKJISVRFVCOOMW-CYBMUJFWSA-N -1 1 387.477 4.177 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000175849911 823055329 /nfs/dbraw/zinc/05/53/29/823055329.db2.gz RBDMBRXEKHUUKD-UHFFFAOYSA-N -1 1 381.745 4.155 20 0 GIADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000187438979 823064002 /nfs/dbraw/zinc/06/40/02/823064002.db2.gz SKKOQNVMBRSWTC-SGTLLEGYSA-N -1 1 388.414 4.183 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187460589 823067806 /nfs/dbraw/zinc/06/78/06/823067806.db2.gz QKSJBUHIUOCYIJ-JTQLQIEISA-N -1 1 382.204 4.063 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1F ZINC000187623277 823099612 /nfs/dbraw/zinc/09/96/12/823099612.db2.gz DNJPAXHMPLUORW-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000121015609 823103187 /nfs/dbraw/zinc/10/31/87/823103187.db2.gz BWPUJAGNRCMZLM-LSDHHAIUSA-N -1 1 398.557 4.382 20 0 GIADMM Cc1cc(C)c(C(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C3CC3)s2)o1 ZINC000176053252 823107910 /nfs/dbraw/zinc/10/79/10/823107910.db2.gz ZWOVCFSVSYYAIM-UHFFFAOYSA-N -1 1 375.479 4.170 20 0 GIADMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1)CC2 ZINC000187750215 823125195 /nfs/dbraw/zinc/12/51/95/823125195.db2.gz ULJJGEPOEHTXNU-UHFFFAOYSA-N -1 1 385.272 4.126 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1cccc(Cl)c1 ZINC000176207619 823152925 /nfs/dbraw/zinc/15/29/25/823152925.db2.gz QMMBJUZOIPMLAW-UHFFFAOYSA-N -1 1 375.837 4.068 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000188086379 823184204 /nfs/dbraw/zinc/18/42/04/823184204.db2.gz TXYFKXCKHMOZCX-CQSZACIVSA-N -1 1 379.485 4.119 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000188124943 823190339 /nfs/dbraw/zinc/19/03/39/823190339.db2.gz ZFDCKVWFWDWIPA-SFHVURJKSA-N -1 1 390.468 4.264 20 0 GIADMM O=C([O-])c1cccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000571529448 823196160 /nfs/dbraw/zinc/19/61/60/823196160.db2.gz JGRROUFHYQPDIV-UHFFFAOYSA-N -1 1 387.863 4.012 20 0 GIADMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000121556119 823205053 /nfs/dbraw/zinc/20/50/53/823205053.db2.gz LJAJLHFVGXEUQQ-CXAGYDPISA-N -1 1 390.277 4.052 20 0 GIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(OC(C)C)cc2Cl)c1 ZINC000188334622 823221115 /nfs/dbraw/zinc/22/11/15/823221115.db2.gz LILXKFPIYULCQV-UHFFFAOYSA-N -1 1 396.896 4.059 20 0 GIADMM O=C(COC1CCCCC1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176587510 823242745 /nfs/dbraw/zinc/24/27/45/823242745.db2.gz KAMBVQFVRRXROI-UHFFFAOYSA-N -1 1 398.484 4.044 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC)cc2)c2ccccc12 ZINC000057118549 823250688 /nfs/dbraw/zinc/25/06/88/823250688.db2.gz RETILKMFLRFTPR-UHFFFAOYSA-N -1 1 398.484 4.388 20 0 GIADMM O=C(C=Cc1ccsc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005174215 817557386 /nfs/dbraw/zinc/55/73/86/817557386.db2.gz PISNDZJLGHABTK-VOTSOKGWSA-N -1 1 394.477 4.470 20 0 GIADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc2ncsc2c1 ZINC000572073542 823277906 /nfs/dbraw/zinc/27/79/06/823277906.db2.gz KHWLDKKKJQZAOH-UHFFFAOYSA-N -1 1 383.454 4.284 20 0 GIADMM C[C@H](OC(=O)c1cccnc1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000007042556 817744791 /nfs/dbraw/zinc/74/47/91/817744791.db2.gz URVLXUSDZZQDFV-JTQLQIEISA-N -1 1 383.454 4.026 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000007126785 817767650 /nfs/dbraw/zinc/76/76/50/817767650.db2.gz HWVODSDAKTTWLI-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=c1cc(CSc2nnc(-c3cccs3)n2C2CC2)c2ccc([O-])cc2o1 ZINC000007763644 817910126 /nfs/dbraw/zinc/91/01/26/817910126.db2.gz MYFRJUNGNAINAA-UHFFFAOYSA-N -1 1 397.481 4.446 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000008033587 817986873 /nfs/dbraw/zinc/98/68/73/817986873.db2.gz IHXJFYDJQXAXPD-OXJNMPFZSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000008082255 817995997 /nfs/dbraw/zinc/99/59/97/817995997.db2.gz SRAPTPWCKFSDGK-UHFFFAOYSA-N -1 1 392.908 4.122 20 0 GIADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000572225648 823304302 /nfs/dbraw/zinc/30/43/02/823304302.db2.gz BLWLGNDBFIZLPR-LSDHHAIUSA-N -1 1 392.274 4.030 20 0 GIADMM CCCc1cc(=O)[n-]c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC000008205130 818018114 /nfs/dbraw/zinc/01/81/14/818018114.db2.gz ZLUTVQLPIXZFOK-AWEZNQCLSA-N -1 1 381.501 4.257 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000008206748 818018561 /nfs/dbraw/zinc/01/85/61/818018561.db2.gz FFXGTRHFYLMVOY-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(F)(F)F)c1 ZINC000011265434 818067069 /nfs/dbraw/zinc/06/70/69/818067069.db2.gz WMKFDHVBJIXFBZ-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1 ZINC000015541102 818335910 /nfs/dbraw/zinc/33/59/10/818335910.db2.gz NEJRAKNXRZXTPR-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000409865983 823330116 /nfs/dbraw/zinc/33/01/16/823330116.db2.gz HVLNNNWJMJMXIG-UHFFFAOYSA-N -1 1 386.517 4.112 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000016039476 818386828 /nfs/dbraw/zinc/38/68/28/818386828.db2.gz WONRHSWPPUEIFJ-SECBINFHSA-N -1 1 386.304 4.149 20 0 GIADMM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]NC(=O)Cc1c[nH]c2ccccc12 ZINC000016057627 818387743 /nfs/dbraw/zinc/38/77/43/818387743.db2.gz DLZOMBWHMRQNOO-UHFFFAOYSA-N -1 1 397.434 4.379 20 0 GIADMM Cc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000016226881 818407603 /nfs/dbraw/zinc/40/76/03/818407603.db2.gz CZDCPDGMXVQGJI-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1ccc(C)cc1 ZINC000016317180 818422504 /nfs/dbraw/zinc/42/25/04/818422504.db2.gz CEELLARDBNMDSG-UHFFFAOYSA-N -1 1 382.514 4.058 20 0 GIADMM CCN(CC)c1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)cc1 ZINC000016598717 818458287 /nfs/dbraw/zinc/45/82/87/818458287.db2.gz PBQPHTBLHGDQJX-UHFFFAOYSA-N -1 1 395.532 4.401 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1OCC ZINC000017319807 818509127 /nfs/dbraw/zinc/50/91/27/818509127.db2.gz YRRALDDKEXFGPJ-UHFFFAOYSA-N -1 1 392.502 4.203 20 0 GIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000021221325 818665774 /nfs/dbraw/zinc/66/57/74/818665774.db2.gz JTGBXARZAQBUQK-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc3cnccc32)c1 ZINC000021218534 818666033 /nfs/dbraw/zinc/66/60/33/818666033.db2.gz JTWZDXYOVOYIIP-UHFFFAOYSA-N -1 1 389.484 4.493 20 0 GIADMM CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000021781560 818737403 /nfs/dbraw/zinc/73/74/03/818737403.db2.gz KYCNCPYXBRRAQC-UHFFFAOYSA-N -1 1 394.924 4.403 20 0 GIADMM COc1ccc(CN(C)Cn2c(CCC3CCCC3)n[n-]c2=S)cc1F ZINC000058205044 823368336 /nfs/dbraw/zinc/36/83/36/823368336.db2.gz FHMIHNLGMXJKAJ-UHFFFAOYSA-N -1 1 378.517 4.301 20 0 GIADMM Cc1ccc(-n2cc(CN[C@H](CC(=O)[O-])c3ccncc3)c(C(C)(C)C)n2)cc1 ZINC000572618441 823370086 /nfs/dbraw/zinc/37/00/86/823370086.db2.gz YQAKBJWGYHMKRV-HXUWFJFHSA-N -1 1 392.503 4.179 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000022931524 818878328 /nfs/dbraw/zinc/87/83/28/818878328.db2.gz VRUUDUYGGSJVQY-JSGCOSHPSA-N -1 1 377.535 4.041 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)n1 ZINC000022931620 818878467 /nfs/dbraw/zinc/87/84/67/818878467.db2.gz BAHBOMYPHIUETB-NSHDSACASA-N -1 1 397.903 4.066 20 0 GIADMM CC(C)CC(=O)Nc1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000572649515 823375339 /nfs/dbraw/zinc/37/53/39/823375339.db2.gz RFGNSRAUHSMNCA-UHFFFAOYSA-N -1 1 395.431 4.079 20 0 GIADMM Cc1nccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000572659177 823377572 /nfs/dbraw/zinc/37/75/72/823377572.db2.gz ITIBEXUXOQYHEE-UHFFFAOYSA-N -1 1 379.844 4.082 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3ncccc3c2)c1 ZINC000058329258 823379206 /nfs/dbraw/zinc/37/92/06/823379206.db2.gz JSNFYEKUJXNPID-UHFFFAOYSA-N -1 1 375.457 4.103 20 0 GIADMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)C1CCCC1 ZINC000058365805 823383324 /nfs/dbraw/zinc/38/33/24/823383324.db2.gz KUFRVTONVGVGPW-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cnc(-c2ncccn2)s1 ZINC000122662669 823389757 /nfs/dbraw/zinc/38/97/57/823389757.db2.gz BGEBFKVSJOUVAL-UHFFFAOYSA-N -1 1 396.419 4.349 20 0 GIADMM Cc1c(S(=O)(=O)[N-]c2ccc(C)cc2F)cnn1-c1ccc(Cl)cc1 ZINC000460442114 823390565 /nfs/dbraw/zinc/39/05/65/823390565.db2.gz IATLAFVLXKHNHB-UHFFFAOYSA-N -1 1 379.844 4.082 20 0 GIADMM Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])c(Cl)c1 ZINC000460441924 823390745 /nfs/dbraw/zinc/39/07/45/823390745.db2.gz BXKZGHRLVQRBEN-UHFFFAOYSA-N -1 1 399.921 4.324 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc(C)c1F ZINC000460454568 823394890 /nfs/dbraw/zinc/39/48/90/823394890.db2.gz WBBVBPUFVWQLGB-UHFFFAOYSA-N -1 1 377.359 4.184 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc(C)c1F ZINC000460458640 823396473 /nfs/dbraw/zinc/39/64/73/823396473.db2.gz KUOSFTCKIJIQFH-UHFFFAOYSA-N -1 1 386.448 4.217 20 0 GIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3occc3Br)s2)cc1 ZINC000177279362 823419464 /nfs/dbraw/zinc/41/94/64/823419464.db2.gz VISKALXYZUMLAD-UHFFFAOYSA-N -1 1 378.251 4.045 20 0 GIADMM CSc1nc(C)c(CCC(=O)NCC2(c3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000025251579 819950089 /nfs/dbraw/zinc/95/00/89/819950089.db2.gz CCRAEAQMUBLEQU-UHFFFAOYSA-N -1 1 399.560 4.163 20 0 GIADMM CCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000025343542 819967048 /nfs/dbraw/zinc/96/70/48/819967048.db2.gz DLMLPAJSLPKEMV-UHFFFAOYSA-N -1 1 388.533 4.414 20 0 GIADMM CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000025610720 820005950 /nfs/dbraw/zinc/00/59/50/820005950.db2.gz GXGRPCRDIAWBRT-UHFFFAOYSA-N -1 1 398.887 4.152 20 0 GIADMM CCCC[C@@H](CC)CNC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000026177939 820067404 /nfs/dbraw/zinc/06/74/04/820067404.db2.gz LHYKJUOSXHKFRE-OAHLLOKOSA-N -1 1 388.537 4.279 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)o1 ZINC000026540054 820111206 /nfs/dbraw/zinc/11/12/06/820111206.db2.gz LKUQQGMDYRHUAY-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000026547239 820111806 /nfs/dbraw/zinc/11/18/06/820111806.db2.gz AQULIRVJYASTDY-UHFFFAOYSA-N -1 1 379.787 4.306 20 0 GIADMM O=C(CCc1ccc(Cl)cc1Cl)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000027626223 820268410 /nfs/dbraw/zinc/26/84/10/820268410.db2.gz AUIASZVIZPVYFV-UHFFFAOYSA-N -1 1 393.222 4.481 20 0 GIADMM CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028494830 820340320 /nfs/dbraw/zinc/34/03/20/820340320.db2.gz PPIYKPKPGVHDDN-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000028494779 820340592 /nfs/dbraw/zinc/34/05/92/820340592.db2.gz SZVQJHQCHWQXGU-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000028781530 820357421 /nfs/dbraw/zinc/35/74/21/820357421.db2.gz JHDJNLPPOLTMJL-UHFFFAOYSA-N -1 1 397.452 4.491 20 0 GIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cc(Cl)sc1Cl ZINC000028794467 820358198 /nfs/dbraw/zinc/35/81/98/820358198.db2.gz FLDSNXBMXMGRRF-UHFFFAOYSA-N -1 1 386.665 4.238 20 0 GIADMM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1ccc(F)c(F)c1F ZINC000029186821 820408586 /nfs/dbraw/zinc/40/85/86/820408586.db2.gz XVMHXGJPZCUSAE-NSHDSACASA-N -1 1 393.839 4.273 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2cccc(OC3CCCC3)c2)c(=O)[n-]1 ZINC000029360910 820443363 /nfs/dbraw/zinc/44/33/63/820443363.db2.gz HBWHDBKCGACCAO-UHFFFAOYSA-N -1 1 387.505 4.105 20 0 GIADMM Cc1cccc(NC(=O)[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(C)C)c1C ZINC000573312843 823479505 /nfs/dbraw/zinc/47/95/05/823479505.db2.gz VYDLRVWCCDQXLG-OAHLLOKOSA-N -1 1 381.448 4.492 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029448035 820457145 /nfs/dbraw/zinc/45/71/45/820457145.db2.gz OIMUQUJXVZLAAP-ZDUSSCGKSA-N -1 1 396.459 4.026 20 0 GIADMM CCCCC1CCC(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CC1 ZINC000029966838 820557901 /nfs/dbraw/zinc/55/79/01/820557901.db2.gz XHLLPZBVPLKSSA-UHFFFAOYSA-N -1 1 382.526 4.002 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000410419600 823492063 /nfs/dbraw/zinc/49/20/63/823492063.db2.gz PKCHLKISKFIITI-UHFFFAOYSA-N -1 1 389.157 4.347 20 0 GIADMM O=C1CCN1c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000410422351 823492778 /nfs/dbraw/zinc/49/27/78/823492778.db2.gz XLXMYXAZVSERSP-UHFFFAOYSA-N -1 1 386.860 4.031 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cnccc1C(F)(F)F ZINC000410424019 823493329 /nfs/dbraw/zinc/49/33/29/823493329.db2.gz QNHMWACLDJBHDG-UHFFFAOYSA-N -1 1 389.157 4.347 20 0 GIADMM Cc1ccoc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000030699956 820667587 /nfs/dbraw/zinc/66/75/87/820667587.db2.gz GSUHQCUZWNBOOM-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)cc1F ZINC000060211014 823512001 /nfs/dbraw/zinc/51/20/01/823512001.db2.gz ZNYKMRMPRCWXTK-UHFFFAOYSA-N -1 1 398.626 4.285 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1OC1CCCC1 ZINC000032098608 820898786 /nfs/dbraw/zinc/89/87/86/820898786.db2.gz XARUGKCDDHRJKF-UHFFFAOYSA-N -1 1 381.519 4.496 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1C ZINC000032586883 820973034 /nfs/dbraw/zinc/97/30/34/820973034.db2.gz YROQWHBSJUNZBO-UHFFFAOYSA-N -1 1 380.516 4.136 20 0 GIADMM Cc1nc(NC(=O)c2ccccc2F)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123563084 823521652 /nfs/dbraw/zinc/52/16/52/823521652.db2.gz YNQUBMFIMOJMDK-UHFFFAOYSA-N -1 1 375.454 4.099 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(C)c1C ZINC000460825355 823523250 /nfs/dbraw/zinc/52/32/50/823523250.db2.gz TUAGRBCNMKXNOV-UHFFFAOYSA-N -1 1 388.258 4.014 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@H](C)C3)cc2)cc1 ZINC000033181398 821044101 /nfs/dbraw/zinc/04/41/01/821044101.db2.gz WMPZOWZHDJKFSZ-LPHOPBHVSA-N -1 1 386.517 4.104 20 0 GIADMM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(Cl)ccc1[O-] ZINC000035982322 821067204 /nfs/dbraw/zinc/06/72/04/821067204.db2.gz AQACDTHZRXSCLZ-UHFFFAOYSA-N -1 1 387.650 4.063 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc(C)c1F ZINC000460831545 823524563 /nfs/dbraw/zinc/52/45/63/823524563.db2.gz NMBBQDYAMWLWAV-UHFFFAOYSA-N -1 1 397.378 4.231 20 0 GIADMM COc1ccc(-c2cc3[n-]c(CN4CCC5(CCC5)C4)nc(=O)c3s2)cc1 ZINC000123617980 823526481 /nfs/dbraw/zinc/52/64/81/823526481.db2.gz DZQUTYBJGXDAIW-UHFFFAOYSA-N -1 1 381.501 4.036 20 0 GIADMM Cc1nc([N-]S(=O)(=O)c2cccc(Br)c2)c(Cl)cc1Cl ZINC000040692663 821164958 /nfs/dbraw/zinc/16/49/58/821164958.db2.gz PDJPGIRIQQOPDI-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C(C)C)c1 ZINC000042007257 821253823 /nfs/dbraw/zinc/25/38/23/821253823.db2.gz ZZTRCGYHYBSKOL-UHFFFAOYSA-N -1 1 395.546 4.138 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cccc1C(F)(F)F ZINC000177872701 823539315 /nfs/dbraw/zinc/53/93/15/823539315.db2.gz QAUGESSATDTYJC-UHFFFAOYSA-N -1 1 398.406 4.089 20 0 GIADMM Cc1ccc(-c2nc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cs2)o1 ZINC000042362062 821304617 /nfs/dbraw/zinc/30/46/17/821304617.db2.gz QCWLWFQDUMWALP-UHFFFAOYSA-N -1 1 396.468 4.152 20 0 GIADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000042802514 821334385 /nfs/dbraw/zinc/33/43/85/821334385.db2.gz ZYJGNQLQRFGMCF-CYBMUJFWSA-N -1 1 388.414 4.036 20 0 GIADMM O=C(Nc1ccccc1N1CCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043457209 821411176 /nfs/dbraw/zinc/41/11/76/821411176.db2.gz OTPACMOBPZACSF-UHFFFAOYSA-N -1 1 393.487 4.119 20 0 GIADMM O=C(Nc1nc2c(s1)CCCCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043606535 821431060 /nfs/dbraw/zinc/43/10/60/821431060.db2.gz VBXNMJSETGEDOK-UHFFFAOYSA-N -1 1 399.516 4.244 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000044066254 821514732 /nfs/dbraw/zinc/51/47/32/821514732.db2.gz BQOZSIZIOHLGLP-CYBMUJFWSA-N -1 1 385.489 4.111 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)cc1 ZINC000181316438 821754574 /nfs/dbraw/zinc/75/45/74/821754574.db2.gz YOPRTLXVKJDGJV-UHFFFAOYSA-N -1 1 383.416 4.146 20 0 GIADMM CCOC(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1C#N ZINC000181510044 821860315 /nfs/dbraw/zinc/86/03/15/821860315.db2.gz QTSGXPXRPFHAGC-UHFFFAOYSA-N -1 1 390.237 4.207 20 0 GIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([O-])cc1F ZINC000181895150 822029405 /nfs/dbraw/zinc/02/94/05/822029405.db2.gz DZZKYJFSOKIHFC-OKILXGFUSA-N -1 1 384.451 4.210 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c2ccccc12 ZINC000182272512 822181766 /nfs/dbraw/zinc/18/17/66/822181766.db2.gz BRXBCWCKKSMICC-UHFFFAOYSA-N -1 1 395.440 4.049 20 0 GIADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182349294 822210130 /nfs/dbraw/zinc/21/01/30/822210130.db2.gz NZLYOPXUHICOPN-UHFFFAOYSA-N -1 1 398.484 4.136 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000177968448 822261431 /nfs/dbraw/zinc/26/14/31/822261431.db2.gz OTIXDWQPYWRNGJ-UHFFFAOYSA-N -1 1 392.484 4.074 20 0 GIADMM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(OCC(F)F)cc1 ZINC000182533807 822287235 /nfs/dbraw/zinc/28/72/35/822287235.db2.gz JKOAZVWNRZAMNF-UHFFFAOYSA-N -1 1 381.322 4.150 20 0 GIADMM Cc1nc(-c2ccc(N3CCC[C@H]3c3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000178323030 822367087 /nfs/dbraw/zinc/36/70/87/822367087.db2.gz YNFUUNKEJQXWDX-SFHVURJKSA-N -1 1 380.879 4.444 20 0 GIADMM C[C@H](c1ccco1)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000182828813 822374245 /nfs/dbraw/zinc/37/42/45/822374245.db2.gz WLGXAQGENJUWII-OAHLLOKOSA-N -1 1 399.472 4.305 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000182879870 822385151 /nfs/dbraw/zinc/38/51/51/822385151.db2.gz WQRXHJUYPMUSLY-LBPRGKRZSA-N -1 1 391.830 4.067 20 0 GIADMM Cc1nnc(-c2ccccc2C(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000182900535 822389011 /nfs/dbraw/zinc/38/90/11/822389011.db2.gz KZROCODUNMDINP-UHFFFAOYSA-N -1 1 388.221 4.074 20 0 GIADMM CCC(=O)Nc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182925352 822393981 /nfs/dbraw/zinc/39/39/81/822393981.db2.gz DAXUUSGDGGWMER-UHFFFAOYSA-N -1 1 377.238 4.064 20 0 GIADMM C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CC[C@H](C(=O)[O-])C1 ZINC000178893314 822419862 /nfs/dbraw/zinc/41/98/62/822419862.db2.gz KAEZDMUSINUPLO-ZBFHGGJFSA-N -1 1 383.879 4.206 20 0 GIADMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045874055 822420774 /nfs/dbraw/zinc/42/07/74/822420774.db2.gz XRQLNVWLKWCRDC-GFCCVEGCSA-N -1 1 398.887 4.198 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000046587962 822488748 /nfs/dbraw/zinc/48/87/48/822488748.db2.gz JBTJCEPNXJEVPI-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM Cc1ccc(NC(=O)Cc2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591968 822489274 /nfs/dbraw/zinc/48/92/74/822489274.db2.gz KDQWFDPGJSTLMD-UHFFFAOYSA-N -1 1 386.498 4.039 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC000179497113 822491242 /nfs/dbraw/zinc/49/12/42/822491242.db2.gz FRZAQHMVNVKQBR-UHFFFAOYSA-N -1 1 399.834 4.179 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)cccc2O)cc1 ZINC000179558705 822503495 /nfs/dbraw/zinc/50/34/95/822503495.db2.gz CIWHUHZHDMCGRM-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)c1 ZINC000046704774 822507317 /nfs/dbraw/zinc/50/73/17/822507317.db2.gz HZPZMNAXPSKSOA-UHFFFAOYSA-N -1 1 396.424 4.435 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000046779622 822516364 /nfs/dbraw/zinc/51/63/64/822516364.db2.gz RSUNVAYGEXEZHU-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000183797132 822529125 /nfs/dbraw/zinc/52/91/25/822529125.db2.gz DIQWVDXDKLQYOW-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM Cc1noc(C(C)C)c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000047119714 822545690 /nfs/dbraw/zinc/54/56/90/822545690.db2.gz TUOAIJHTBQBIDY-UHFFFAOYSA-N -1 1 399.472 4.160 20 0 GIADMM O=c1cc(C(F)(F)F)nc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)[n-]1 ZINC000179762016 822545781 /nfs/dbraw/zinc/54/57/81/822545781.db2.gz UABVPPSIMNZREA-UHFFFAOYSA-N -1 1 395.331 4.358 20 0 GIADMM CCN(CCOc1ccccc1C(=O)[O-])Cc1cc(Br)ccc1F ZINC000183919743 822546347 /nfs/dbraw/zinc/54/63/47/822546347.db2.gz XUUGGAWSEQSCGU-UHFFFAOYSA-N -1 1 396.256 4.187 20 0 GIADMM Cc1ccccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000047339309 822568696 /nfs/dbraw/zinc/56/86/96/822568696.db2.gz GMNFHONGUHYAGI-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCC1CCC(N(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C2CC2)CC1 ZINC000047446314 822580124 /nfs/dbraw/zinc/58/01/24/822580124.db2.gz CZCLLVQHENXTEW-UHFFFAOYSA-N -1 1 377.554 4.105 20 0 GIADMM C[C@@H](N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1(C)CC1 ZINC000184147318 822585721 /nfs/dbraw/zinc/58/57/21/822585721.db2.gz VWTPAFGLNYYLIK-OAHLLOKOSA-N -1 1 387.505 4.140 20 0 GIADMM Cc1nc(C(F)(F)F)c(CSc2nc([O-])cc(=O)n2C2CCCC2)s1 ZINC000184166063 822589260 /nfs/dbraw/zinc/58/92/60/822589260.db2.gz RIXYOXTWZMFCEH-UHFFFAOYSA-N -1 1 391.440 4.140 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1Br ZINC000180290949 822657006 /nfs/dbraw/zinc/65/70/06/822657006.db2.gz UIZPRZUFTATNHT-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM O=S(=O)([N-]c1ccccc1Br)c1sccc1Br ZINC000048440669 822662090 /nfs/dbraw/zinc/66/20/90/822662090.db2.gz KFPNDKDZXRDYHI-UHFFFAOYSA-N -1 1 397.113 4.074 20 0 GIADMM CCOC(=O)[C@H]1CCCc2sc(NC(=O)Nc3ccc([O-])c(Cl)c3)nc21 ZINC000455593750 822680610 /nfs/dbraw/zinc/68/06/10/822680610.db2.gz BSPLPPZROHFCCV-JTQLQIEISA-N -1 1 395.868 4.129 20 0 GIADMM N#CC(=C([O-])c1ccc(CN2CCCCC2=O)cc1)c1nc2ccccc2s1 ZINC000048824387 822684596 /nfs/dbraw/zinc/68/45/96/822684596.db2.gz CLVHJHYTCNFHQR-QGZVFWFLSA-N -1 1 389.480 4.299 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1Cl ZINC000184793997 822691767 /nfs/dbraw/zinc/69/17/67/822691767.db2.gz APYFADLRKDXUAG-UHFFFAOYSA-N -1 1 384.910 4.130 20 0 GIADMM C[S@@](=O)Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1Cl ZINC000180548176 822700236 /nfs/dbraw/zinc/70/02/36/822700236.db2.gz MISOIMCAKMRJTI-RUZDIDTESA-N -1 1 391.798 4.195 20 0 GIADMM Cc1ccc(NC(=O)N2[C@H](C)CC[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455771907 822723555 /nfs/dbraw/zinc/72/35/55/822723555.db2.gz NXPSVHPUILRDDC-HZPDHXFCSA-N -1 1 387.505 4.201 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3CCC[C@@H]3C)ccc2C)c1 ZINC000455780121 822725275 /nfs/dbraw/zinc/72/52/75/822725275.db2.gz FNDZZUHNADIREF-INIZCTEOSA-N -1 1 387.505 4.120 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(-c3ccsc3)no2)nc1-c1ccccc1 ZINC000185048591 822729137 /nfs/dbraw/zinc/72/91/37/822729137.db2.gz SZHOPVGOYPXOTL-UHFFFAOYSA-N -1 1 382.470 4.149 20 0 GIADMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1C ZINC000185051594 822729582 /nfs/dbraw/zinc/72/95/82/822729582.db2.gz VEBPWXDSTWHMOA-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000185056692 822730122 /nfs/dbraw/zinc/73/01/22/822730122.db2.gz RXEDEXWQZORAQH-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000174275127 822761115 /nfs/dbraw/zinc/76/11/15/822761115.db2.gz QIVBPLXSZPERTQ-UHFFFAOYSA-N -1 1 399.835 4.323 20 0 GIADMM CCC[C@H]1CCCCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000185406642 822779747 /nfs/dbraw/zinc/77/97/47/822779747.db2.gz MPERSCVTUYJYRX-ZDUSSCGKSA-N -1 1 388.386 4.298 20 0 GIADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000052398227 822798044 /nfs/dbraw/zinc/79/80/44/822798044.db2.gz DZKIGHGSUCJADY-UHFFFAOYSA-N -1 1 389.293 4.027 20 0 GIADMM CN(CCc1cccs1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000174730298 822829575 /nfs/dbraw/zinc/82/95/75/822829575.db2.gz FYGRAJVJMJHWIO-UHFFFAOYSA-N -1 1 376.478 4.115 20 0 GIADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000456769389 822829962 /nfs/dbraw/zinc/82/99/62/822829962.db2.gz NJMCNZWZNIUQIK-HKUYNNGSSA-N -1 1 399.560 4.235 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCCC3)cc2)c1C ZINC000053333809 822830742 /nfs/dbraw/zinc/83/07/42/822830742.db2.gz XQDWXZICWNKOKC-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(CC(C)C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000456805316 822832896 /nfs/dbraw/zinc/83/28/96/822832896.db2.gz WRKFHGKSLOBRAR-UHFFFAOYSA-N -1 1 393.940 4.488 20 0 GIADMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)c1 ZINC000456927055 822842284 /nfs/dbraw/zinc/84/22/84/822842284.db2.gz RZHKFFWZHUSWHY-CTYIDZIISA-N -1 1 379.378 4.438 20 0 GIADMM C[C@H](NCc1ccn(C2CCCC2)n1)c1cc(Br)cc(F)c1[O-] ZINC000186138262 822854742 /nfs/dbraw/zinc/85/47/42/822854742.db2.gz QGUGGNZWPNGXIE-NSHDSACASA-N -1 1 382.277 4.456 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000174977888 822863470 /nfs/dbraw/zinc/86/34/70/822863470.db2.gz DMNOHSRVVRRXEG-UHFFFAOYSA-N -1 1 382.464 4.067 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)Cc2ccccc2F)cc1 ZINC000054166610 822864971 /nfs/dbraw/zinc/86/49/71/822864971.db2.gz HFUWZCWBEVTVPK-OAHLLOKOSA-N -1 1 398.507 4.193 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000175102265 822882603 /nfs/dbraw/zinc/88/26/03/822882603.db2.gz AYOUZAVCKWYVPP-UHFFFAOYSA-N -1 1 387.483 4.199 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)C1=Cc2ccccc2OCC1 ZINC000186416286 822890779 /nfs/dbraw/zinc/89/07/79/822890779.db2.gz AKEIADCTLUKXDT-UHFFFAOYSA-N -1 1 378.453 4.314 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2C)c1 ZINC000175183142 822899827 /nfs/dbraw/zinc/89/98/27/822899827.db2.gz WWTWSHITHGJEEL-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000569379925 822913597 /nfs/dbraw/zinc/91/35/97/822913597.db2.gz WAJYQKXOIFTEJG-SNVBAGLBSA-N -1 1 385.411 4.191 20 0 GIADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000175256790 822916423 /nfs/dbraw/zinc/91/64/23/822916423.db2.gz MLFKYFWWOINWGT-JKSUJKDBSA-N -1 1 390.578 4.097 20 0 GIADMM CC(C)(C)NC(=S)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000054922105 822922337 /nfs/dbraw/zinc/92/23/37/822922337.db2.gz RRDUSZZWJZRINH-UHFFFAOYSA-N -1 1 397.953 4.226 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc(Cl)c1[O-] ZINC000186663321 822932356 /nfs/dbraw/zinc/93/23/56/822932356.db2.gz UFVCENSANYFOGW-UHFFFAOYSA-N -1 1 378.831 4.436 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc(Cl)c1[O-] ZINC000186665056 822932508 /nfs/dbraw/zinc/93/25/08/822932508.db2.gz WHKHLPFSNPJRPU-KRWDZBQOSA-N -1 1 396.270 4.311 20 0 GIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1=Cc2cc(F)ccc2OC1 ZINC000569516688 822933124 /nfs/dbraw/zinc/93/31/24/822933124.db2.gz VWQZSMBLCPEFLJ-UHFFFAOYSA-N -1 1 398.615 4.362 20 0 GIADMM CCOc1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc(Cl)c1[O-] ZINC000186680132 822935891 /nfs/dbraw/zinc/93/58/91/822935891.db2.gz VKIYLOGYFPWAEJ-UHFFFAOYSA-N -1 1 395.912 4.139 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000186716433 822943423 /nfs/dbraw/zinc/94/34/23/822943423.db2.gz NCHHDTXHIYCMNV-NSHDSACASA-N -1 1 390.892 4.415 20 0 GIADMM Cc1nc(-c2ccc(N[C@H](C)CCOCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000569614088 822944992 /nfs/dbraw/zinc/94/49/92/822944992.db2.gz HYWDKSHRZRLXPT-OAHLLOKOSA-N -1 1 378.476 4.268 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)cc(Cl)c1[O-] ZINC000186741323 822948287 /nfs/dbraw/zinc/94/82/87/822948287.db2.gz UGUPRASYEFSKRH-CQSZACIVSA-N -1 1 375.852 4.083 20 0 GIADMM Cc1cc(OCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1C(C)C ZINC000055315097 822951216 /nfs/dbraw/zinc/95/12/16/822951216.db2.gz FNXXLBOXMADFOV-UHFFFAOYSA-N -1 1 395.499 4.324 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc(Cl)c1[O-] ZINC000186771277 822952739 /nfs/dbraw/zinc/95/27/39/822952739.db2.gz OELBUNHEMMRSSW-UHFFFAOYSA-N -1 1 398.850 4.359 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000055371190 822955278 /nfs/dbraw/zinc/95/52/78/822955278.db2.gz WERNKELELWYSMK-UHFFFAOYSA-N -1 1 398.507 4.146 20 0 GIADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(OC(F)F)c(F)c1 ZINC000569793220 822970018 /nfs/dbraw/zinc/97/00/18/822970018.db2.gz WQEBKYMKZGINAR-UHFFFAOYSA-N -1 1 394.374 4.290 20 0 GIADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1 ZINC000055591839 822983324 /nfs/dbraw/zinc/98/33/24/822983324.db2.gz KASAKJOOTQCKBM-WYMLVPIESA-N -1 1 391.452 4.467 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1F ZINC000055619764 822988402 /nfs/dbraw/zinc/98/84/02/822988402.db2.gz SRQZEJXHUHUJND-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=S(=O)([N-]c1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000055631700 822989789 /nfs/dbraw/zinc/98/97/89/822989789.db2.gz CSONUDHPHGWEDZ-HXUWFJFHSA-N -1 1 383.469 4.198 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000055632162 822989975 /nfs/dbraw/zinc/98/99/75/822989975.db2.gz PXUMMLZSYTWMDT-UHFFFAOYSA-N -1 1 391.386 4.213 20 0 GIADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000055650779 822993299 /nfs/dbraw/zinc/99/32/99/822993299.db2.gz VDXWEUFZMSYMQO-UHFFFAOYSA-N -1 1 392.908 4.075 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000055657713 822995028 /nfs/dbraw/zinc/99/50/28/822995028.db2.gz DFWBBMGMWRNMDZ-GOSISDBHSA-N -1 1 396.491 4.249 20 0 GIADMM C=CCOc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000055723199 823003215 /nfs/dbraw/zinc/00/32/15/823003215.db2.gz CYWWMGFAEBBPPF-UHFFFAOYSA-N -1 1 380.473 4.120 20 0 GIADMM C=CCOc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)c1 ZINC000055724618 823003430 /nfs/dbraw/zinc/00/34/30/823003430.db2.gz URZBFFUQJHKYDR-UHFFFAOYSA-N -1 1 380.473 4.120 20 0 GIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cc12 ZINC000187079639 823007684 /nfs/dbraw/zinc/00/76/84/823007684.db2.gz SSLJIQMVCGXYJK-UHFFFAOYSA-N -1 1 392.436 4.285 20 0 GIADMM C[C@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)[C@@H](c2ccco2)C1 ZINC000175663515 823015408 /nfs/dbraw/zinc/01/54/08/823015408.db2.gz BTHSENWNUGFTSQ-QWHCGFSZSA-N -1 1 388.518 4.262 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1O ZINC000060831635 823561027 /nfs/dbraw/zinc/56/10/27/823561027.db2.gz WVYOIQWSIBWQPZ-UHFFFAOYSA-N -1 1 379.787 4.482 20 0 GIADMM CSC[C@@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411331778 823564855 /nfs/dbraw/zinc/56/48/55/823564855.db2.gz USBMRQKHTMNEFI-AWEZNQCLSA-N -1 1 389.521 4.118 20 0 GIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000124149498 823572067 /nfs/dbraw/zinc/57/20/67/823572067.db2.gz NVDXFUMDTBVUNL-IUODEOHRSA-N -1 1 378.929 4.298 20 0 GIADMM C[C@H]1CCSCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411622813 823591791 /nfs/dbraw/zinc/59/17/91/823591791.db2.gz GZFJZSVQJUUVBG-LBPRGKRZSA-N -1 1 389.521 4.118 20 0 GIADMM C[C@@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nn[n-]n1 ZINC000124393142 823592845 /nfs/dbraw/zinc/59/28/45/823592845.db2.gz CSJATWRNPSREOU-VIFPVBQESA-N -1 1 396.303 4.111 20 0 GIADMM N#Cc1ccc(C(=O)N[N-]C(=O)c2cc3sc4ccccc4c3s2)cc1 ZINC000061473679 823599482 /nfs/dbraw/zinc/59/94/82/823599482.db2.gz PXXCGYSKFICSLO-UHFFFAOYSA-N -1 1 377.450 4.062 20 0 GIADMM CCC[C@H]1SCCN1C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000124565455 823606908 /nfs/dbraw/zinc/60/69/08/823606908.db2.gz FDRLSPUPTUBXLQ-MRXNPFEDSA-N -1 1 376.551 4.008 20 0 GIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000461332635 823618999 /nfs/dbraw/zinc/61/89/99/823618999.db2.gz LEXMXJGHHPEUDJ-YVWKXTFCSA-N -1 1 398.528 4.186 20 0 GIADMM COc1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)c(Cl)cc1C(=O)[O-] ZINC000461340505 823620633 /nfs/dbraw/zinc/62/06/33/823620633.db2.gz MWZXWDQLIXDCNS-UHFFFAOYSA-N -1 1 395.864 4.115 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccnn1C1CCCCC1 ZINC000124734404 823621904 /nfs/dbraw/zinc/62/19/04/823621904.db2.gz SRFQHDIQEFSKBU-UHFFFAOYSA-N -1 1 388.522 4.010 20 0 GIADMM CCN(C(=O)Cn1c(-c2cccs2)n[n-]c1=S)[C@H](C)c1ccc(F)cc1 ZINC000124803338 823627411 /nfs/dbraw/zinc/62/74/11/823627411.db2.gz KWKAFSCXHBWPAH-GFCCVEGCSA-N -1 1 390.509 4.418 20 0 GIADMM C[C@@H]1CN(c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2F)C[C@@H](C)O1 ZINC000190942441 823627998 /nfs/dbraw/zinc/62/79/98/823627998.db2.gz PCJCUMMROPKLKX-VXGBXAGGSA-N -1 1 393.846 4.442 20 0 GIADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000124931594 823638080 /nfs/dbraw/zinc/63/80/80/823638080.db2.gz SMXSEQYEBBZHRO-INWMFGNUSA-N -1 1 390.940 4.441 20 0 GIADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412284909 823642766 /nfs/dbraw/zinc/64/27/66/823642766.db2.gz DZGFMCFQSZAJBO-CPFSXVBKSA-N -1 1 377.076 4.292 20 0 GIADMM CS[C@@H](C)CCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412289872 823643342 /nfs/dbraw/zinc/64/33/42/823643342.db2.gz LIBAUYINHBTLPJ-ZETCQYMHSA-N -1 1 397.132 4.387 20 0 GIADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294746 823643803 /nfs/dbraw/zinc/64/38/03/823643803.db2.gz WZFXTOAHPNMZKG-YUMQZZPRSA-N -1 1 377.076 4.148 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)cc1F ZINC000125136567 823654112 /nfs/dbraw/zinc/65/41/12/823654112.db2.gz BWWBXNXXQKBLOB-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM CCCCCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](C)CCC ZINC000063327998 823663101 /nfs/dbraw/zinc/66/31/01/823663101.db2.gz QONYBMZFTYPXPS-HNNXBMFYSA-N -1 1 386.558 4.177 20 0 GIADMM CCCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000461625019 823672479 /nfs/dbraw/zinc/67/24/79/823672479.db2.gz SYGCTEFDZWNZGS-OAHLLOKOSA-N -1 1 392.496 4.277 20 0 GIADMM COc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[n-]c(=O)c2c1 ZINC000063580550 823680905 /nfs/dbraw/zinc/68/09/05/823680905.db2.gz QTFJYDAZABFDES-UHFFFAOYSA-N -1 1 394.434 4.451 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000063634896 823685453 /nfs/dbraw/zinc/68/54/53/823685453.db2.gz PJQGTLFOIQOXTI-UHFFFAOYSA-N -1 1 395.496 4.268 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1)c1ccoc1 ZINC000125594580 823688365 /nfs/dbraw/zinc/68/83/65/823688365.db2.gz CTOOTLZVRRNSLK-UHFFFAOYSA-N -1 1 394.811 4.125 20 0 GIADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(CCC(C)C)cc3)c2)no1 ZINC000063849829 823702071 /nfs/dbraw/zinc/70/20/71/823702071.db2.gz XMTSJAOKPWQQJX-UHFFFAOYSA-N -1 1 385.489 4.434 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc(Cl)c1[O-] ZINC000574332240 823704016 /nfs/dbraw/zinc/70/40/16/823704016.db2.gz TWGLDALMSVRKEE-INIZCTEOSA-N -1 1 397.302 4.130 20 0 GIADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000163385210 823705545 /nfs/dbraw/zinc/70/55/45/823705545.db2.gz DUJPFMGBYBYIGP-VXGBXAGGSA-N -1 1 392.329 4.254 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 ZINC000125783841 823709854 /nfs/dbraw/zinc/70/98/54/823709854.db2.gz WPTCNMDFTRBZSX-UHFFFAOYSA-N -1 1 396.520 4.326 20 0 GIADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000163473599 823713250 /nfs/dbraw/zinc/71/32/50/823713250.db2.gz HPSNIWBWXSGQPE-RDJZCZTQSA-N -1 1 398.503 4.311 20 0 GIADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000163473690 823713296 /nfs/dbraw/zinc/71/32/96/823713296.db2.gz HPSNIWBWXSGQPE-WBVHZDCISA-N -1 1 398.503 4.311 20 0 GIADMM Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163942886 823763723 /nfs/dbraw/zinc/76/37/23/823763723.db2.gz VTWALJYJBSKNCZ-AWEZNQCLSA-N -1 1 397.475 4.312 20 0 GIADMM C[C@H](Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000191778438 823765296 /nfs/dbraw/zinc/76/52/96/823765296.db2.gz WKPGWJIKCFXASK-NSHDSACASA-N -1 1 376.338 4.216 20 0 GIADMM C[C@H](CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000064290793 823786946 /nfs/dbraw/zinc/78/69/46/823786946.db2.gz YTEGFFGOAOJNEG-CYBMUJFWSA-N -1 1 376.453 4.001 20 0 GIADMM C[C@H]1CN(c2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2)C[C@H](C)O1 ZINC000064409010 823813358 /nfs/dbraw/zinc/81/33/58/823813358.db2.gz ACKWNXUIPIQYQJ-HOTGVXAUSA-N -1 1 376.456 4.411 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000064476382 823826017 /nfs/dbraw/zinc/82/60/17/823826017.db2.gz HTHYCUQTVKKNJK-UHFFFAOYSA-N -1 1 386.498 4.183 20 0 GIADMM Cc1nc(-c2ccc([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)cc2)cs1 ZINC000574960651 823872334 /nfs/dbraw/zinc/87/23/34/823872334.db2.gz VJEPKDHMTBFWMN-UHFFFAOYSA-N -1 1 391.518 4.346 20 0 GIADMM COc1cc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc(Cl)c1[O-] ZINC000414025100 823891992 /nfs/dbraw/zinc/89/19/92/823891992.db2.gz XZBXLFPACNYJRE-ZDUSSCGKSA-N -1 1 397.899 4.028 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937630 823915249 /nfs/dbraw/zinc/91/52/49/823915249.db2.gz CDDNLUBDJJTRGN-UHFFFAOYSA-N -1 1 377.409 4.498 20 0 GIADMM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462303581 823917393 /nfs/dbraw/zinc/91/73/93/823917393.db2.gz AKDHGMKEQYWPSL-WFASDCNBSA-N -1 1 392.329 4.072 20 0 GIADMM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000462303579 823917551 /nfs/dbraw/zinc/91/75/51/823917551.db2.gz AKDHGMKEQYWPSL-IUODEOHRSA-N -1 1 392.329 4.072 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)cc1Cl ZINC000065070368 823935487 /nfs/dbraw/zinc/93/54/87/823935487.db2.gz XUPNSICDOQMCDV-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000462380907 823951409 /nfs/dbraw/zinc/95/14/09/823951409.db2.gz NORYAJCRXOUDPY-LJQANCHMSA-N -1 1 376.460 4.359 20 0 GIADMM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000065174573 823956733 /nfs/dbraw/zinc/95/67/33/823956733.db2.gz BYIYGEMUXOMKQP-UHFFFAOYSA-N -1 1 388.533 4.413 20 0 GIADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cnc([C@H]2CCCO2)s1 ZINC000126819207 823958719 /nfs/dbraw/zinc/95/87/19/823958719.db2.gz VLZSLSUXRUXRCH-LLVKDONJSA-N -1 1 390.515 4.250 20 0 GIADMM COc1ccc(Sc2nsc([N-]C(=O)c3scnc3C3CC3)n2)cc1 ZINC000126892272 823975263 /nfs/dbraw/zinc/97/52/63/823975263.db2.gz SUNKOVYKLFROEL-UHFFFAOYSA-N -1 1 390.515 4.284 20 0 GIADMM Cc1ccc(NC(=O)c2ccoc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000192410460 823977165 /nfs/dbraw/zinc/97/71/65/823977165.db2.gz IRBIKSYDZSDMMO-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000127001934 823998207 /nfs/dbraw/zinc/99/82/07/823998207.db2.gz RKIOOCOMGDVVCV-NSHDSACASA-N -1 1 385.411 4.246 20 0 GIADMM CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127044350 824006333 /nfs/dbraw/zinc/00/63/33/824006333.db2.gz JJFGYHMXQZJBRC-SNVBAGLBSA-N -1 1 399.438 4.445 20 0 GIADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000575875193 824017608 /nfs/dbraw/zinc/01/76/08/824017608.db2.gz XOBZZFCSEJDQBU-CQSZACIVSA-N -1 1 379.428 4.149 20 0 GIADMM Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000414651086 824020632 /nfs/dbraw/zinc/02/06/32/824020632.db2.gz DYDKLJGNMDETJB-HNNXBMFYSA-N -1 1 397.450 4.265 20 0 GIADMM O=C([O-])[C@@H]1CCN(Cc2c(Cl)cccc2OCc2ccccc2Cl)C1 ZINC000414684698 824023779 /nfs/dbraw/zinc/02/37/79/824023779.db2.gz RLOASODHISCMCI-CYBMUJFWSA-N -1 1 380.271 4.479 20 0 GIADMM Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC000021893212 210398743 /nfs/dbraw/zinc/39/87/43/210398743.db2.gz UCOPMRXBCQXOOP-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000827934296 601354859 /nfs/dbraw/zinc/35/48/59/601354859.db2.gz DIFDZWLFNWCYEQ-CHWSQXEVSA-N -1 1 399.878 4.311 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2[nH]ccc21 ZINC000175960930 823082788 /nfs/dbraw/zinc/08/27/88/823082788.db2.gz YLSNAPMGZQJRRW-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM CC(C)(NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cccc(Cl)c1 ZINC000120930350 823088551 /nfs/dbraw/zinc/08/85/51/823088551.db2.gz KMYIORDUGAVRMZ-UHFFFAOYSA-N -1 1 392.937 4.374 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(O)cc3)c2)c1 ZINC000120939300 823090136 /nfs/dbraw/zinc/09/01/36/823090136.db2.gz BPRORRAUIXHUNG-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000176090960 823117815 /nfs/dbraw/zinc/11/78/15/823117815.db2.gz XTEZQCIZHYTUDD-SNVBAGLBSA-N -1 1 386.320 4.156 20 0 GIADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000056278154 823119711 /nfs/dbraw/zinc/11/97/11/823119711.db2.gz JQGPAPZQGAPISZ-CQSZACIVSA-N -1 1 399.516 4.089 20 0 GIADMM CC[C@H]1[C@H](C)CCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000187727686 823120807 /nfs/dbraw/zinc/12/08/07/823120807.db2.gz GRTKZTONAYPTEA-BEFAXECRSA-N -1 1 387.505 4.140 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000176128684 823130344 /nfs/dbraw/zinc/13/03/44/823130344.db2.gz ZJKLAJVEYVXHNO-UHFFFAOYSA-N -1 1 397.519 4.477 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000176202210 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Cn1cnnc1Sc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000122024578 823295190 /nfs/dbraw/zinc/29/51/90/823295190.db2.gz CXMKZXHUJXXRKQ-UHFFFAOYSA-N -1 1 376.441 4.077 20 0 GIADMM CCOc1ccccc1CCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000007625261 817882333 /nfs/dbraw/zinc/88/23/33/817882333.db2.gz IGKQTONBERFVFU-UHFFFAOYSA-N -1 1 396.439 4.136 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)[n-]c(=O)c1C ZINC000572180045 823295623 /nfs/dbraw/zinc/29/56/23/823295623.db2.gz LWEZLZMRVBPONS-CABCVRRESA-N -1 1 399.560 4.290 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)[n-]c(=O)c1C ZINC000572180048 823295723 /nfs/dbraw/zinc/29/57/23/823295723.db2.gz LWEZLZMRVBPONS-LSDHHAIUSA-N -1 1 399.560 4.290 20 0 GIADMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000057471487 823300819 /nfs/dbraw/zinc/30/08/19/823300819.db2.gz YDNDQUUGJXSQQD-UHFFFAOYSA-N -1 1 394.452 4.111 20 0 GIADMM O=c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)c2ccc([O-])cc2o1 ZINC000007909017 817955485 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GIADMM CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1Cl ZINC000013181261 818205560 /nfs/dbraw/zinc/20/55/60/818205560.db2.gz YYGZZBXBBLCEQI-GOSISDBHSA-N -1 1 391.855 4.441 20 0 GIADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000014097337 818222386 /nfs/dbraw/zinc/22/23/86/818222386.db2.gz MGWLBNSJKZBBGQ-UHFFFAOYSA-N -1 1 393.770 4.166 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000014373399 818239350 /nfs/dbraw/zinc/23/93/50/818239350.db2.gz VHFVOGAKSXVLLP-GOSISDBHSA-N -1 1 378.501 4.110 20 0 GIADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000015352621 818315706 /nfs/dbraw/zinc/31/57/06/818315706.db2.gz CMXXAEVXIBFHLD-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000015352669 818315752 /nfs/dbraw/zinc/31/57/52/818315752.db2.gz UOCHMTADMLGQMP-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000015421012 818324104 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GIADMM Cc1ccc(C[C@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)cc1 ZINC000572433594 823338364 /nfs/dbraw/zinc/33/83/64/823338364.db2.gz GMVMDKJPRBBBBV-GOSISDBHSA-N -1 1 375.472 4.047 20 0 GIADMM Cc1ccc(C[C@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)cc1 ZINC000572433594 823338371 /nfs/dbraw/zinc/33/83/71/823338371.db2.gz GMVMDKJPRBBBBV-GOSISDBHSA-N -1 1 375.472 4.047 20 0 GIADMM CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000016601574 818459061 /nfs/dbraw/zinc/45/90/61/818459061.db2.gz DCYOWGXOTWRMEF-CYBMUJFWSA-N -1 1 380.897 4.059 20 0 GIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000017158358 818502086 /nfs/dbraw/zinc/50/20/86/818502086.db2.gz HAZBEQKKVYSGPM-UHFFFAOYSA-N -1 1 386.879 4.372 20 0 GIADMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000017322834 818509794 /nfs/dbraw/zinc/50/97/94/818509794.db2.gz WTLWSPBVAOXHLM-UHFFFAOYSA-N -1 1 398.887 4.200 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1occc1COc1ccccc1 ZINC000021704162 818728216 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GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C ZINC000023722476 818976695 /nfs/dbraw/zinc/97/66/95/818976695.db2.gz LEOCGVGIBUNEIS-KRWDZBQOSA-N -1 1 386.517 4.119 20 0 GIADMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc(F)c2ncccc12 ZINC000024579559 819075240 /nfs/dbraw/zinc/07/52/40/819075240.db2.gz KTOJASYYZHOTEL-UHFFFAOYSA-N -1 1 386.448 4.496 20 0 GIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460432915 823387614 /nfs/dbraw/zinc/38/76/14/823387614.db2.gz XCMYFOUVFSHJPW-UHFFFAOYSA-N -1 1 388.533 4.267 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000122673920 823392109 /nfs/dbraw/zinc/39/21/09/823392109.db2.gz KWEMCSOZGPQKPL-UHFFFAOYSA-N -1 1 384.379 4.099 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189316718 823392882 /nfs/dbraw/zinc/39/28/82/823392882.db2.gz HKXFSSQTSBNHBL-UHFFFAOYSA-N -1 1 382.363 4.247 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc2ccccc2[nH]1 ZINC000122756268 823406773 /nfs/dbraw/zinc/40/67/73/823406773.db2.gz RRSZMADXSBCHRY-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Cc1ccc(-c2nsc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)n2)s1 ZINC000122856322 823424168 /nfs/dbraw/zinc/42/41/68/823424168.db2.gz DJNJSPWQWWSORD-VIFPVBQESA-N -1 1 378.504 4.135 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)[n-]c(=O)c1C ZINC000573022257 823434606 /nfs/dbraw/zinc/43/46/06/823434606.db2.gz XYWJKPCTVXCNCH-OAHLLOKOSA-N -1 1 399.516 4.476 20 0 GIADMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000024956719 819900383 /nfs/dbraw/zinc/90/03/83/819900383.db2.gz HZXDRDTYKYDPQR-UHFFFAOYSA-N -1 1 399.299 4.311 20 0 GIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)n1 ZINC000026538714 820111291 /nfs/dbraw/zinc/11/12/91/820111291.db2.gz ODABBLYEOCXLKL-UHFFFAOYSA-N -1 1 379.844 4.082 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000026935998 820165793 /nfs/dbraw/zinc/16/57/93/820165793.db2.gz BRRKBIIDMRGSBH-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc(Cl)ccc1Cl ZINC000026950441 820168172 /nfs/dbraw/zinc/16/81/72/820168172.db2.gz RDOKRGCODBXMCF-UHFFFAOYSA-N -1 1 394.283 4.028 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)n3)cc2)c1 ZINC000028195203 820317980 /nfs/dbraw/zinc/31/79/80/820317980.db2.gz OKKRIYNYKLUICW-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1occc1Br ZINC000177474437 823471020 /nfs/dbraw/zinc/47/10/20/823471020.db2.gz FKCPSVXVZSPTGC-UHFFFAOYSA-N -1 1 380.970 4.335 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCCCC2)c1 ZINC000028929917 820374621 /nfs/dbraw/zinc/37/46/21/820374621.db2.gz GVZWQOPVGUPRKX-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc(Br)c1F ZINC000410362303 823474871 /nfs/dbraw/zinc/47/48/71/823474871.db2.gz XPUOYDFFDVYTQX-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029448094 820457123 /nfs/dbraw/zinc/45/71/23/820457123.db2.gz CNDDUPWHHXPLKU-CYBMUJFWSA-N -1 1 396.459 4.026 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000029869041 820536145 /nfs/dbraw/zinc/53/61/45/820536145.db2.gz BTQLCZSOORNVIE-UHFFFAOYSA-N -1 1 387.549 4.101 20 0 GIADMM COc1ccccc1-c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)no1 ZINC000030039275 820573931 /nfs/dbraw/zinc/57/39/31/820573931.db2.gz MKWRICFRZQLICH-UHFFFAOYSA-N -1 1 378.413 4.121 20 0 GIADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030382131 820608809 /nfs/dbraw/zinc/60/88/09/820608809.db2.gz KQFUKUXFLODYKN-OXJNMPFZSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1nc(-c2cccs2)ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000030399945 820613338 /nfs/dbraw/zinc/61/33/38/820613338.db2.gz CWSUHAHBVNEIOJ-UHFFFAOYSA-N -1 1 393.420 4.288 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc(-c2ccncc2)on1 ZINC000189777148 823492304 /nfs/dbraw/zinc/49/23/04/823492304.db2.gz KBIZRHMAQSJVSX-UHFFFAOYSA-N -1 1 397.847 4.085 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCC2CCCC2)cc1 ZINC000031146053 820753499 /nfs/dbraw/zinc/75/34/99/820753499.db2.gz HGJGCLLHHPRFFX-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000031669593 820842210 /nfs/dbraw/zinc/84/22/10/820842210.db2.gz YMXLFJNHCQPTEN-UHFFFAOYSA-N -1 1 397.880 4.023 20 0 GIADMM Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)c([O-])c3)o2)cs1 ZINC000123441645 823509305 /nfs/dbraw/zinc/50/93/05/823509305.db2.gz YDDGYJVWNAUWLJ-UHFFFAOYSA-N -1 1 393.262 4.110 20 0 GIADMM CCc1nnc([N-]C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000189881477 823509427 /nfs/dbraw/zinc/50/94/27/823509427.db2.gz QSZUOISOJQWZFW-UHFFFAOYSA-N -1 1 382.367 4.335 20 0 GIADMM Cc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000123458532 823511220 /nfs/dbraw/zinc/51/12/20/823511220.db2.gz XLHJXUOUMBJRMV-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCCCc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC000060192534 823511530 /nfs/dbraw/zinc/51/15/30/823511530.db2.gz GAPNHHLIZGBKFA-UHFFFAOYSA-N -1 1 390.487 4.054 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000032071727 820893314 /nfs/dbraw/zinc/89/33/14/820893314.db2.gz VVWSYTAAPVIGEV-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccc(Br)cc1 ZINC000032097168 820897130 /nfs/dbraw/zinc/89/71/30/820897130.db2.gz PRFXRDPZOHHDHO-UHFFFAOYSA-N -1 1 393.262 4.269 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c(=O)[n-]1 ZINC000032380910 820930669 /nfs/dbraw/zinc/93/06/69/820930669.db2.gz ZKLLRIWTAFOTRQ-KRWDZBQOSA-N -1 1 387.549 4.439 20 0 GIADMM CSc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032585608 820972220 /nfs/dbraw/zinc/97/22/20/820972220.db2.gz IKSUTZSLJJFGMJ-UHFFFAOYSA-N -1 1 379.837 4.464 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1F ZINC000032588657 820973015 /nfs/dbraw/zinc/97/30/15/820973015.db2.gz NSLHIJUENMYITG-UHFFFAOYSA-N -1 1 378.450 4.067 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000032594837 820975206 /nfs/dbraw/zinc/97/52/06/820975206.db2.gz BVERUWUPXNQBOL-UHFFFAOYSA-N -1 1 375.837 4.032 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1 ZINC000032601718 820976863 /nfs/dbraw/zinc/97/68/63/820976863.db2.gz BVKNRXGOSLMCCF-UHFFFAOYSA-N -1 1 395.406 4.254 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000032630376 820980254 /nfs/dbraw/zinc/98/02/54/820980254.db2.gz FPZXESNRTPYEGE-ZDUSSCGKSA-N -1 1 394.924 4.356 20 0 GIADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1 ZINC000460819810 823521477 /nfs/dbraw/zinc/52/14/77/823521477.db2.gz KBTISTMBTVOGKR-UHFFFAOYSA-N -1 1 393.530 4.224 20 0 GIADMM Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123562571 823521613 /nfs/dbraw/zinc/52/16/13/823521613.db2.gz YSZSRNXZHHUNEL-UHFFFAOYSA-N -1 1 375.454 4.099 20 0 GIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C)OCCO2 ZINC000460820570 823521819 /nfs/dbraw/zinc/52/18/19/823521819.db2.gz BBBGYRCMRPBHPR-UHFFFAOYSA-N -1 1 393.530 4.278 20 0 GIADMM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc4c(c3)COC4)ccc2C)c1 ZINC000460822210 823522162 /nfs/dbraw/zinc/52/21/62/823522162.db2.gz KTNDNPSZLBDSJD-UHFFFAOYSA-N -1 1 396.468 4.322 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC000460822959 823522351 /nfs/dbraw/zinc/52/23/51/823522351.db2.gz HOVDBFSFMCNUAE-UHFFFAOYSA-N -1 1 396.468 4.494 20 0 GIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000033098659 821033580 /nfs/dbraw/zinc/03/35/80/821033580.db2.gz IPCYGLOQOCVRAY-QFBILLFUSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060414635 823524927 /nfs/dbraw/zinc/52/49/27/823524927.db2.gz SSEWDLOEGRKXFX-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1Br ZINC000460837783 823525836 /nfs/dbraw/zinc/52/58/36/823525836.db2.gz UHFVBCQGWSSKMA-UHFFFAOYSA-N -1 1 384.295 4.382 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000460842583 823526736 /nfs/dbraw/zinc/52/67/36/823526736.db2.gz LYNYQZKQYPGGJQ-UHFFFAOYSA-N -1 1 376.272 4.111 20 0 GIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2N1 ZINC000042645527 821318934 /nfs/dbraw/zinc/31/89/34/821318934.db2.gz HPQJTRJZPCSBNL-UHFFFAOYSA-N -1 1 385.272 4.069 20 0 GIADMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(Cl)c1 ZINC000043182750 821375596 /nfs/dbraw/zinc/37/55/96/821375596.db2.gz BDEJFVCNHWTSPX-CQSZACIVSA-N -1 1 386.879 4.411 20 0 GIADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000180637758 821377819 /nfs/dbraw/zinc/37/78/19/821377819.db2.gz UURCZECPSHILDY-UHFFFAOYSA-N -1 1 382.504 4.046 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180778974 821452579 /nfs/dbraw/zinc/45/25/79/821452579.db2.gz REVYDLDXOPEODR-NVXWUHKLSA-N -1 1 397.368 4.278 20 0 GIADMM CN(Cc1cccc(Br)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000044483979 821590986 /nfs/dbraw/zinc/59/09/86/821590986.db2.gz CQMDMDLFDWYZFZ-UHFFFAOYSA-N -1 1 399.082 4.189 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1F ZINC000181206088 821696977 /nfs/dbraw/zinc/69/69/77/821696977.db2.gz FSGVPJQSFGWIPX-UHFFFAOYSA-N -1 1 380.441 4.003 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(C(F)(F)F)nc1 ZINC000181319795 821756623 /nfs/dbraw/zinc/75/66/23/821756623.db2.gz ZOEBLDXUBIMXPJ-UHFFFAOYSA-N -1 1 396.394 4.045 20 0 GIADMM Cc1cccc(F)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000181669550 821934993 /nfs/dbraw/zinc/93/49/93/821934993.db2.gz CRRCFIFAGGSTHQ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc([O-])cc1F ZINC000181895186 822029641 /nfs/dbraw/zinc/02/96/41/822029641.db2.gz DZZKYJFSOKIHFC-ZIAGYGMSSA-N -1 1 384.451 4.210 20 0 GIADMM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182018587 822064643 /nfs/dbraw/zinc/06/46/43/822064643.db2.gz HGVANUDGFJUTAT-UHFFFAOYSA-N -1 1 398.768 4.209 20 0 GIADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182410386 822233138 /nfs/dbraw/zinc/23/31/38/822233138.db2.gz OOCKEDUKZBVOQE-UHFFFAOYSA-N -1 1 396.468 4.192 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)cc1C ZINC000182519424 822279600 /nfs/dbraw/zinc/27/96/00/822279600.db2.gz BQLBHNRRTRIDCF-UHFFFAOYSA-N -1 1 395.440 4.008 20 0 GIADMM C[C@@H](SCc1ccccc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045059929 822360375 /nfs/dbraw/zinc/36/03/75/822360375.db2.gz NPYZRCYFNNUGBM-MRXNPFEDSA-N -1 1 383.513 4.135 20 0 GIADMM COc1cccc(-c2nsc([N-]C(=O)c3ccc(F)c(Cl)c3F)n2)c1 ZINC000182798230 822369152 /nfs/dbraw/zinc/36/91/52/822369152.db2.gz LASAPDJYRAZQCR-UHFFFAOYSA-N -1 1 381.791 4.398 20 0 GIADMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182864758 822381571 /nfs/dbraw/zinc/38/15/71/822381571.db2.gz MZFBGGRBGIEQFT-MRXNPFEDSA-N -1 1 390.867 4.120 20 0 GIADMM CCCCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000045369234 822381896 /nfs/dbraw/zinc/38/18/96/822381896.db2.gz JOWVRPWVSJIZNX-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM Cc1cccc(OCc2nnc(SCc3cc(=O)oc4cc([O-])ccc34)o2)c1 ZINC000182902642 822389554 /nfs/dbraw/zinc/38/95/54/822389554.db2.gz VXVKOSLGCQWPEB-UHFFFAOYSA-N -1 1 396.424 4.061 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3O)c2)cc1 ZINC000183079933 822422000 /nfs/dbraw/zinc/42/20/00/822422000.db2.gz IAXANVURVMVROV-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000179386387 822475048 /nfs/dbraw/zinc/47/50/48/822475048.db2.gz XPTFLRLQGLMLDL-UHFFFAOYSA-N -1 1 385.807 4.155 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000179397733 822476863 /nfs/dbraw/zinc/47/68/63/822476863.db2.gz BCKNCBGKYGJVEQ-UHFFFAOYSA-N -1 1 385.807 4.155 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(Cl)c1 ZINC000046588352 822489033 /nfs/dbraw/zinc/48/90/33/822489033.db2.gz DXHOMNGMAQBHCM-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM Cc1ccc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000046588272 822489082 /nfs/dbraw/zinc/48/90/82/822489082.db2.gz YFPYBIYGYJNISJ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591971 822489478 /nfs/dbraw/zinc/48/94/78/822489478.db2.gz WLXVRIKVPHVYDL-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000046799913 822518644 /nfs/dbraw/zinc/51/86/44/822518644.db2.gz XANYCQQGLPEMNB-MRXNPFEDSA-N -1 1 391.924 4.162 20 0 GIADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000183855924 822536645 /nfs/dbraw/zinc/53/66/45/822536645.db2.gz RNANXFMUSUKZJA-UHFFFAOYSA-N -1 1 383.860 4.073 20 0 GIADMM C[C@@H]1CC=C(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000455388474 822644971 /nfs/dbraw/zinc/64/49/71/822644971.db2.gz VDFTVELULQPYCX-QGZVFWFLSA-N -1 1 398.528 4.192 20 0 GIADMM N#Cc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1Cl ZINC000184537037 822653172 /nfs/dbraw/zinc/65/31/72/822653172.db2.gz AMBLUJUIBRYPAO-UHFFFAOYSA-N -1 1 377.636 4.025 20 0 GIADMM O=C([N-]NC(=O)C1(c2ccc(F)cc2F)CCC1)c1c(Cl)cccc1Cl ZINC000180314856 822662044 /nfs/dbraw/zinc/66/20/44/822662044.db2.gz IJWXLGXTURYRCX-UHFFFAOYSA-N -1 1 399.224 4.155 20 0 GIADMM O=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180353442 822668835 /nfs/dbraw/zinc/66/88/35/822668835.db2.gz JNZAPRDWIHMVFV-UHFFFAOYSA-N -1 1 377.362 4.146 20 0 GIADMM CN(Cc1ccc(Br)o1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180392373 822674832 /nfs/dbraw/zinc/67/48/32/822674832.db2.gz NNZXFZMMDUNTPI-UHFFFAOYSA-N -1 1 378.144 4.039 20 0 GIADMM CCOC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1 ZINC000184870579 822704559 /nfs/dbraw/zinc/70/45/59/822704559.db2.gz MTDOKTMXOOKCTK-GOSISDBHSA-N -1 1 380.469 4.142 20 0 GIADMM C[C@@H](Cc1noc(-c2ccc3ccccc3c2[O-])n1)N(C)C(=O)OC(C)(C)C ZINC000184879684 822706221 /nfs/dbraw/zinc/70/62/21/822706221.db2.gz WTKLXVFEYBHDJI-ZDUSSCGKSA-N -1 1 383.448 4.393 20 0 GIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184879492 822706233 /nfs/dbraw/zinc/70/62/33/822706233.db2.gz OPEWCBNYCZWWJZ-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000184908751 822711618 /nfs/dbraw/zinc/71/16/18/822711618.db2.gz YSPRLYDRRJJOOG-UHFFFAOYSA-N -1 1 391.707 4.052 20 0 GIADMM CCC[C@H](C)N(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455768183 822722763 /nfs/dbraw/zinc/72/27/63/822722763.db2.gz KGYYKESYNMLDIW-INIZCTEOSA-N -1 1 389.521 4.448 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3CCC[C@H]3C)ccc2C)c1 ZINC000455780122 822725218 /nfs/dbraw/zinc/72/52/18/822725218.db2.gz FNDZZUHNADIREF-MRXNPFEDSA-N -1 1 387.505 4.120 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000185053909 822729763 /nfs/dbraw/zinc/72/97/63/822729763.db2.gz MXGZHNLTQCTEEU-ZDUSSCGKSA-N -1 1 383.448 4.004 20 0 GIADMM Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1 ZINC000185053880 822729784 /nfs/dbraw/zinc/72/97/84/822729784.db2.gz MROAPLBGMUOZHZ-INIZCTEOSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185058928 822730695 /nfs/dbraw/zinc/73/06/95/822730695.db2.gz OZJABVKLXWLKMH-INIZCTEOSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000174397189 822784010 /nfs/dbraw/zinc/78/40/10/822784010.db2.gz OPPWWCAHUSHEKG-SFHVURJKSA-N -1 1 395.532 4.008 20 0 GIADMM CCSCc1ccnc([N-]S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)c1 ZINC000185615654 822802531 /nfs/dbraw/zinc/80/25/31/822802531.db2.gz PZMBHQRIZQHPJS-UHFFFAOYSA-N -1 1 390.530 4.072 20 0 GIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(SC)c(Cl)c3)ccc2o1 ZINC000185626145 822803814 /nfs/dbraw/zinc/80/38/14/822803814.db2.gz VFNGYWMNVCLJFA-UHFFFAOYSA-N -1 1 398.893 4.150 20 0 GIADMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(F)F ZINC000053091065 822821260 /nfs/dbraw/zinc/82/12/60/822821260.db2.gz ZILBMTZDJAIQAW-XBXARRHUSA-N -1 1 396.234 4.388 20 0 GIADMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174719332 822828118 /nfs/dbraw/zinc/82/81/18/822828118.db2.gz YNLSUTURRANQEO-UHFFFAOYSA-N -1 1 378.469 4.228 20 0 GIADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000456769392 822829981 /nfs/dbraw/zinc/82/99/81/822829981.db2.gz NJMCNZWZNIUQIK-PKOBYXMFSA-N -1 1 399.560 4.235 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)o1 ZINC000174766335 822834298 /nfs/dbraw/zinc/83/42/98/822834298.db2.gz MTQOQCBIEKGVAI-UHFFFAOYSA-N -1 1 377.853 4.062 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCCC2CCCC2)cc1 ZINC000174855939 822846929 /nfs/dbraw/zinc/84/69/29/822846929.db2.gz HTFDIXCJTLPXIH-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM Cc1c2cccc(C)c2oc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000053793545 822848161 /nfs/dbraw/zinc/84/81/61/822848161.db2.gz PZEYFVOUQZPMSG-UHFFFAOYSA-N -1 1 377.440 4.490 20 0 GIADMM C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cc(Br)cc(F)c1[O-] ZINC000186249051 822864786 /nfs/dbraw/zinc/86/47/86/822864786.db2.gz RBBGOTILGFEPAP-BDAKNGLRSA-N -1 1 395.228 4.186 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457332413 822867360 /nfs/dbraw/zinc/86/73/60/822867360.db2.gz SNTSCHBMJQJCCJ-AWEZNQCLSA-N -1 1 381.657 4.180 20 0 GIADMM CC[C@@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000457435634 822874973 /nfs/dbraw/zinc/87/49/73/822874973.db2.gz GIBKRYHEYZQIPJ-ZDUSSCGKSA-N -1 1 382.432 4.107 20 0 GIADMM C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186390486 822886840 /nfs/dbraw/zinc/88/68/40/822886840.db2.gz YKSZAPMHYJHXHR-LLVKDONJSA-N -1 1 391.244 4.107 20 0 GIADMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(F)c([O-])c(F)c1 ZINC000186442704 822896321 /nfs/dbraw/zinc/89/63/21/822896321.db2.gz MAXVTIHXDZCRLT-LJQANCHMSA-N -1 1 379.366 4.066 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc(Cl)c1[O-] ZINC000186644224 822928601 /nfs/dbraw/zinc/92/86/01/822928601.db2.gz ASTBSVDPMIZCQP-UHFFFAOYSA-N -1 1 390.867 4.225 20 0 GIADMM CCOc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc(Cl)c1[O-] ZINC000186649417 822929407 /nfs/dbraw/zinc/92/94/07/822929407.db2.gz WZFNHSNUDAGAQE-UHFFFAOYSA-N -1 1 394.880 4.308 20 0 GIADMM N#CC(=C([O-])c1ccc(-n2ccnc2)nc1)c1nc2cc(Cl)ccc2s1 ZINC000186682998 822936578 /nfs/dbraw/zinc/93/65/78/822936578.db2.gz KLBNDQSNELXVAG-ZDUSSCGKSA-N -1 1 379.832 4.020 20 0 GIADMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1)[C@H]1C[C@H]1C ZINC000569544863 822937770 /nfs/dbraw/zinc/93/77/70/822937770.db2.gz CVMBIFXVEGKTSF-ZMZPIMSZSA-N -1 1 396.871 4.041 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC[C@@H]1CCC[C@H](C)C1)CC2 ZINC000569612315 822944523 /nfs/dbraw/zinc/94/45/23/822944523.db2.gz VLNQESRMJJTAQP-BXWFABGCSA-N -1 1 375.509 4.294 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000055290331 822949903 /nfs/dbraw/zinc/94/99/03/822949903.db2.gz KMZWNPOMCKQUCP-UHFFFAOYSA-N -1 1 381.457 4.440 20 0 GIADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000175373390 822950429 /nfs/dbraw/zinc/95/04/29/822950429.db2.gz ZJSNWXMIVFULRB-QGZVFWFLSA-N -1 1 396.487 4.444 20 0 GIADMM Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C ZINC000055315719 822951459 /nfs/dbraw/zinc/95/14/59/822951459.db2.gz WJLQRDTXQQKDAD-UHFFFAOYSA-N -1 1 393.483 4.093 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000186781151 822954421 /nfs/dbraw/zinc/95/44/21/822954421.db2.gz KPMIUOCCFRGNEK-KRWDZBQOSA-N -1 1 396.270 4.311 20 0 GIADMM CCOc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2CC)cc(Cl)c1[O-] ZINC000186790680 822955932 /nfs/dbraw/zinc/95/59/32/822955932.db2.gz OAVMTPKEOAZAJC-GFCCVEGCSA-N -1 1 387.867 4.305 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc(Cl)c1[O-] ZINC000186843412 822965853 /nfs/dbraw/zinc/96/58/53/822965853.db2.gz GUJXQOXNQBYPGC-ZDUSSCGKSA-N -1 1 385.851 4.121 20 0 GIADMM CCOc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)cc(Cl)c1[O-] ZINC000186855180 822968503 /nfs/dbraw/zinc/96/85/03/822968503.db2.gz TYYJDDBKNIVNMR-UHFFFAOYSA-N -1 1 381.900 4.256 20 0 GIADMM Cc1ccc(C=CS(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000055583167 822982234 /nfs/dbraw/zinc/98/22/34/822982234.db2.gz ARMSDJJGLIKBHY-SEYXRHQNSA-N -1 1 380.473 4.070 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000055633185 822990242 /nfs/dbraw/zinc/99/02/42/822990242.db2.gz XFFWEAMXRSCMPL-UHFFFAOYSA-N -1 1 383.897 4.002 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1 ZINC000055688136 822999517 /nfs/dbraw/zinc/99/95/17/822999517.db2.gz SPWMAKKAEIHKTE-UHFFFAOYSA-N -1 1 381.453 4.269 20 0 GIADMM CN1Cc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2NC1=O ZINC000187064095 823005604 /nfs/dbraw/zinc/00/56/04/823005604.db2.gz NOJPVVAGLURVJP-UHFFFAOYSA-N -1 1 393.468 4.132 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000570135784 823009249 /nfs/dbraw/zinc/00/92/49/823009249.db2.gz YHMXWTHCJFNJNA-WBMJQRKESA-N -1 1 387.436 4.108 20 0 GIADMM C[C@@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)[C@H](c2ccco2)C1 ZINC000175663462 823015427 /nfs/dbraw/zinc/01/54/27/823015427.db2.gz BTHSENWNUGFTSQ-OLZOCXBDSA-N -1 1 388.518 4.262 20 0 GIADMM O=S(=O)([N-]c1ccccc1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187166309 823019930 /nfs/dbraw/zinc/01/99/30/823019930.db2.gz HJSFQIBSNJGKLO-CQSZACIVSA-N -1 1 399.871 4.228 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c(F)c1 ZINC000187179898 823021617 /nfs/dbraw/zinc/02/16/17/823021617.db2.gz RFVBGZZRLNWRRX-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000570274851 823021681 /nfs/dbraw/zinc/02/16/81/823021681.db2.gz HGALRAUKBQPRER-TXPKVOOTSA-N -1 1 384.501 4.171 20 0 GIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000187183584 823022005 /nfs/dbraw/zinc/02/20/05/823022005.db2.gz HQJZAMGBPBJWRP-ZDUSSCGKSA-N -1 1 399.871 4.004 20 0 GIADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000187227586 823027599 /nfs/dbraw/zinc/02/75/99/823027599.db2.gz VNFPIQDFQGGUFV-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187246248 823029776 /nfs/dbraw/zinc/02/97/76/823029776.db2.gz MEEYSXSULKTTSX-KBXCAEBGSA-N -1 1 379.460 4.418 20 0 GIADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1cc(Cl)sc1Cl ZINC000060755652 823555734 /nfs/dbraw/zinc/55/57/34/823555734.db2.gz YXMRFDICXDAJQE-UHFFFAOYSA-N -1 1 389.285 4.188 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000124031776 823561327 /nfs/dbraw/zinc/56/13/27/823561327.db2.gz RJKZSILUUITRBE-UHFFFAOYSA-N -1 1 397.425 4.155 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000124164238 823573732 /nfs/dbraw/zinc/57/37/32/823573732.db2.gz HKSSGHHEZVOSLS-IBGZPJMESA-N -1 1 392.528 4.322 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc4c3OC(C)(C)C4)cc2)c1C ZINC000461206042 823598423 /nfs/dbraw/zinc/59/84/23/823598423.db2.gz DXAXJSVGHCQJKX-UHFFFAOYSA-N -1 1 397.500 4.003 20 0 GIADMM C[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000124597120 823609737 /nfs/dbraw/zinc/60/97/37/823609737.db2.gz CJGSRFMDZIDPPA-AWEZNQCLSA-N -1 1 387.426 4.286 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)ccc12 ZINC000461340602 823620624 /nfs/dbraw/zinc/62/06/24/823620624.db2.gz IKOKQZQHHRLGDJ-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)ccc1OC(C)C ZINC000461424402 823633834 /nfs/dbraw/zinc/63/38/34/823633834.db2.gz GGTMLTJWMAKVEA-UHFFFAOYSA-N -1 1 388.533 4.307 20 0 GIADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000124898164 823634847 /nfs/dbraw/zinc/63/48/47/823634847.db2.gz FILZQWACYIVBOI-RDBSUJKOSA-N -1 1 376.551 4.239 20 0 GIADMM O=C(Nc1cc(C2CC2)ccn1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461457224 823641723 /nfs/dbraw/zinc/64/17/23/823641723.db2.gz SISVTYQXXUOVTG-UHFFFAOYSA-N -1 1 393.468 4.012 20 0 GIADMM CC(C)(C(=O)Nc1cc([O-])c(Br)cc1Br)C1CC1 ZINC000412285000 823642865 /nfs/dbraw/zinc/64/28/65/823642865.db2.gz FEUKYZNLSJXENZ-UHFFFAOYSA-N -1 1 377.076 4.292 20 0 GIADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294722 823643781 /nfs/dbraw/zinc/64/37/81/823643781.db2.gz WTXSGMUOKPLPAX-RKDXNWHRSA-N -1 1 389.087 4.458 20 0 GIADMM CCOc1ccc(N(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000125210986 823659551 /nfs/dbraw/zinc/65/95/51/823659551.db2.gz RBAGXLQDJKCBHA-UHFFFAOYSA-N -1 1 396.516 4.368 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000063635102 823685458 /nfs/dbraw/zinc/68/54/58/823685458.db2.gz NYKSEFDPZBOBTO-UHFFFAOYSA-N -1 1 397.924 4.474 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000063635148 823685499 /nfs/dbraw/zinc/68/54/99/823685499.db2.gz QXODZFUTLJYQHV-UHFFFAOYSA-N -1 1 391.533 4.438 20 0 GIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)c2C)o1 ZINC000163402892 823706723 /nfs/dbraw/zinc/70/67/23/823706723.db2.gz WXWLOXQJBMPTJD-UHFFFAOYSA-N -1 1 399.394 4.247 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c1 ZINC000163499418 823716055 /nfs/dbraw/zinc/71/60/55/823716055.db2.gz VSRCRICFTMLCCM-HNNXBMFYSA-N -1 1 381.476 4.290 20 0 GIADMM CCCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc2ccccc21 ZINC000063951829 823719940 /nfs/dbraw/zinc/71/99/40/823719940.db2.gz BCVFAXFADVAXGP-UHFFFAOYSA-N -1 1 395.528 4.329 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)c2cc(F)ccc2F)nc1-c1ccccc1 ZINC000163885650 823757270 /nfs/dbraw/zinc/75/72/70/823757270.db2.gz UYTXFPGYUXLBEA-LBPRGKRZSA-N -1 1 386.423 4.387 20 0 GIADMM Cc1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(C)c(=O)[n-]3)o2)cc1 ZINC000163894820 823758196 /nfs/dbraw/zinc/75/81/96/823758196.db2.gz UAZHYMSAERWNSJ-UHFFFAOYSA-N -1 1 390.468 4.396 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nc1-c1ccccc1 ZINC000163925820 823761722 /nfs/dbraw/zinc/76/17/22/823761722.db2.gz MUWAUKCGOKSEJD-HNAYVOBHSA-N -1 1 399.560 4.263 20 0 GIADMM CSc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163933496 823762050 /nfs/dbraw/zinc/76/20/50/823762050.db2.gz BXVXFUMVSJJSFC-UHFFFAOYSA-N -1 1 397.525 4.198 20 0 GIADMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000064374040 823803138 /nfs/dbraw/zinc/80/31/38/823803138.db2.gz WSUCDCZZCOLRTP-UHFFFAOYSA-N -1 1 387.457 4.019 20 0 GIADMM O=C([O-])[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000164512674 823806652 /nfs/dbraw/zinc/80/66/52/823806652.db2.gz HLRVDVWSULVZIE-MRXNPFEDSA-N -1 1 383.879 4.035 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(C(F)(F)F)c1 ZINC000064476265 823826033 /nfs/dbraw/zinc/82/60/33/823826033.db2.gz YTKFTZFOKQVDCR-UHFFFAOYSA-N -1 1 377.409 4.237 20 0 GIADMM Cc1ccc(-c2nc(CNC(=O)c3ccc(Br)c([O-])c3)co2)cc1 ZINC000126277701 823827447 /nfs/dbraw/zinc/82/74/47/823827447.db2.gz OWBTVNKCSGWNJD-UHFFFAOYSA-N -1 1 387.233 4.048 20 0 GIADMM CC[C@H](C)Oc1ccccc1-c1cccc(-n2[nH]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000574927321 823861719 /nfs/dbraw/zinc/86/17/19/823861719.db2.gz FAFMGOZJTZCMFB-LIRRHRJNSA-N -1 1 380.444 4.344 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1cnc([C@H]2CCCO2)s1 ZINC000126539524 823893675 /nfs/dbraw/zinc/89/36/75/823893675.db2.gz QSOIHTBZYCUDLM-SNVBAGLBSA-N -1 1 389.221 4.288 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1OC ZINC000064937660 823915596 /nfs/dbraw/zinc/91/55/96/823915596.db2.gz JULNZDBSZFWKNZ-UHFFFAOYSA-N -1 1 393.408 4.117 20 0 GIADMM O=S(=O)([N-][C@H]1CCCOc2ccc(F)cc21)c1cc(Cl)sc1Cl ZINC000064959475 823918328 /nfs/dbraw/zinc/91/83/28/823918328.db2.gz IGOJKUFGKPRSRT-JTQLQIEISA-N -1 1 396.292 4.386 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)c1 ZINC000575190722 823935241 /nfs/dbraw/zinc/93/52/41/823935241.db2.gz GKTKXPGLIHYHHU-UHFFFAOYSA-N -1 1 382.913 4.132 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3c2cccc3C)c1 ZINC000126795957 823953439 /nfs/dbraw/zinc/95/34/39/823953439.db2.gz QXBYLJLNNKZBLP-UHFFFAOYSA-N -1 1 378.501 4.204 20 0 GIADMM CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000065174600 823956969 /nfs/dbraw/zinc/95/69/69/823956969.db2.gz XNCMHJVPQODNNL-UHFFFAOYSA-N -1 1 394.924 4.449 20 0 GIADMM O=c1nc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)[n-]c2ccsc21 ZINC000126830005 823961539 /nfs/dbraw/zinc/96/15/39/823961539.db2.gz FZDPINGPVOOOAR-UHFFFAOYSA-N -1 1 379.407 4.168 20 0 GIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192389855 823968375 /nfs/dbraw/zinc/96/83/75/823968375.db2.gz VEDWWCBIAYEEJP-UHFFFAOYSA-N -1 1 390.686 4.050 20 0 GIADMM Cc1nn(C)c(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c1C(F)F ZINC000414374893 823968627 /nfs/dbraw/zinc/96/86/27/823968627.db2.gz PITOWRSXEITKPG-UHFFFAOYSA-N -1 1 384.235 4.082 20 0 GIADMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2F)c1 ZINC000414402214 823972371 /nfs/dbraw/zinc/97/23/71/823972371.db2.gz XRHPOIPWDWITSD-UHFFFAOYSA-N -1 1 398.887 4.105 20 0 GIADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc21 ZINC000126951424 823988121 /nfs/dbraw/zinc/98/81/21/823988121.db2.gz GOQYZHMEKSIEAV-MRXNPFEDSA-N -1 1 392.480 4.251 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)c1 ZINC000170849027 823989458 /nfs/dbraw/zinc/98/94/58/823989458.db2.gz HHZJMRWKNNJRRR-UHFFFAOYSA-N -1 1 397.934 4.452 20 0 GIADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000126985090 823995070 /nfs/dbraw/zinc/99/50/70/823995070.db2.gz RNNGERYYXNTEBJ-UHFFFAOYSA-N -1 1 399.520 4.484 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cccnc1C(F)(F)F ZINC000575830576 824006126 /nfs/dbraw/zinc/00/61/26/824006126.db2.gz LUEHBSYBZLROPD-UHFFFAOYSA-N -1 1 389.157 4.347 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCc3ccccc3[C@H]2C)c1 ZINC000170951258 824014940 /nfs/dbraw/zinc/01/49/40/824014940.db2.gz ZVWXQKXTHXSDNG-OAHLLOKOSA-N -1 1 378.501 4.062 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000414658348 824021088 /nfs/dbraw/zinc/02/10/88/824021088.db2.gz QNKPWCVHOUXFPG-AWEZNQCLSA-N -1 1 377.868 4.080 20 0 GIADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)n1 ZINC000171040711 824044918 /nfs/dbraw/zinc/04/49/18/824044918.db2.gz HVZSWPVVQQIVJS-UHFFFAOYSA-N -1 1 398.300 4.276 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000008291834 212074169 /nfs/dbraw/zinc/07/41/69/212074169.db2.gz JSQFUOUFNZVQTQ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843790 823053073 /nfs/dbraw/zinc/05/30/73/823053073.db2.gz UOOWJHPWOCDBOU-GFCCVEGCSA-N -1 1 396.896 4.221 20 0 GIADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000120806561 823068177 /nfs/dbraw/zinc/06/81/77/823068177.db2.gz ANTQSNRRCKKARC-UHFFFAOYSA-N -1 1 379.445 4.107 20 0 GIADMM Cn1cc([C@@H](NCc2cc(Cl)cc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC000187519159 823079812 /nfs/dbraw/zinc/07/98/12/823079812.db2.gz WQBGFJSLCKFHIM-KRWDZBQOSA-N -1 1 380.250 4.451 20 0 GIADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000175997163 823091396 /nfs/dbraw/zinc/09/13/96/823091396.db2.gz IPESTGVSTXENTB-LLVKDONJSA-N -1 1 383.345 4.408 20 0 GIADMM COC(=O)c1cnc(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)[n-]1 ZINC000187582476 823092729 /nfs/dbraw/zinc/09/27/29/823092729.db2.gz XSMHDZDUPMGYPM-IBGZPJMESA-N -1 1 391.452 4.394 20 0 GIADMM COC(=O)c1c[n-]c(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000187582476 823092730 /nfs/dbraw/zinc/09/27/30/823092730.db2.gz XSMHDZDUPMGYPM-IBGZPJMESA-N -1 1 391.452 4.394 20 0 GIADMM CSc1nc(C)c(CCC(=O)OC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000056216736 823105586 /nfs/dbraw/zinc/10/55/86/823105586.db2.gz YRCBDKLHBWTXRP-UHFFFAOYSA-N -1 1 394.496 4.066 20 0 GIADMM Cc1nc(NC(=O)c2cccc3[nH]ccc32)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000176058078 823109067 /nfs/dbraw/zinc/10/90/67/823109067.db2.gz CWVQVHYVNGPPHC-UHFFFAOYSA-N -1 1 396.501 4.441 20 0 GIADMM O=C([O-])[C@@H]1CC12CCN([C@@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000571053320 823125660 /nfs/dbraw/zinc/12/56/60/823125660.db2.gz IHSUKZQBIJCPCM-RBUKOAKNSA-N -1 1 389.455 4.013 20 0 GIADMM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000571065512 823126777 /nfs/dbraw/zinc/12/67/77/823126777.db2.gz ZTDCYINPRCPMFD-UHFFFAOYSA-N -1 1 398.271 4.317 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000121154623 823128878 /nfs/dbraw/zinc/12/88/78/823128878.db2.gz KMLGMASQDYWSLQ-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000176129217 823130627 /nfs/dbraw/zinc/13/06/27/823130627.db2.gz FAUPSDILJGEZST-UHFFFAOYSA-N -1 1 384.505 4.361 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000176225048 823157017 /nfs/dbraw/zinc/15/70/17/823157017.db2.gz BRZIRUNGDGZNDB-ZDUSSCGKSA-N -1 1 387.549 4.367 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3ccccc3)c2)[n-]c1=O ZINC000188022223 823173437 /nfs/dbraw/zinc/17/34/37/823173437.db2.gz UXRJXHJQBIRXDR-FOWTUZBSSA-N -1 1 390.439 4.086 20 0 GIADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)ccn1 ZINC000121538974 823201999 /nfs/dbraw/zinc/20/19/99/823201999.db2.gz DYACUTKNBRPTSV-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409508333 823236973 /nfs/dbraw/zinc/23/69/73/823236973.db2.gz MBJHCOAHZSSLGG-DIFFPNOSSA-N -1 1 391.855 4.069 20 0 GIADMM CC[C@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000121762388 823245326 /nfs/dbraw/zinc/24/53/26/823245326.db2.gz BPDWUALYFLZWIF-SWLSCSKDSA-N -1 1 378.929 4.346 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 ZINC000571848658 823245372 /nfs/dbraw/zinc/24/53/72/823245372.db2.gz XEEWIUIGZSGFNL-UHFFFAOYSA-N -1 1 396.896 4.026 20 0 GIADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000188472941 823246008 /nfs/dbraw/zinc/24/60/08/823246008.db2.gz GOVOHSNADCGCEP-UHFFFAOYSA-N -1 1 375.475 4.033 20 0 GIADMM CC[C@H]1CCCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000121766368 823246237 /nfs/dbraw/zinc/24/62/37/823246237.db2.gz JVZNZTXCCORZTQ-WMLDXEAASA-N -1 1 388.537 4.091 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OCCc2ccccc2)c1 ZINC000121839920 823260956 /nfs/dbraw/zinc/26/09/56/823260956.db2.gz JUXRIANUIOHBAV-UHFFFAOYSA-N -1 1 390.439 4.224 20 0 GIADMM Cc1nc(C)c(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)s1 ZINC000005174410 817557447 /nfs/dbraw/zinc/55/74/47/817557447.db2.gz FWYWBUWADVGGSO-UHFFFAOYSA-N -1 1 397.481 4.082 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccc(F)c1 ZINC000005171655 817557553 /nfs/dbraw/zinc/55/75/53/817557553.db2.gz OFXJCTIERIAXDJ-UHFFFAOYSA-N -1 1 380.400 4.148 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2CCC2CCCCC2)c(=O)[n-]1 ZINC000121924317 823278121 /nfs/dbraw/zinc/27/81/21/823278121.db2.gz XJICFLKGTMZTDU-QGZVFWFLSA-N -1 1 391.581 4.084 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000006293834 817673966 /nfs/dbraw/zinc/67/39/66/817673966.db2.gz MTFONSFRBLSKQR-UHFFFAOYSA-N -1 1 393.679 4.406 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000007051616 817747165 /nfs/dbraw/zinc/74/71/65/817747165.db2.gz BFLUOSURRRTFCE-UHFFFAOYSA-N -1 1 396.516 4.089 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000007054739 817748647 /nfs/dbraw/zinc/74/86/47/817748647.db2.gz WREFESOQKDNTMC-UHFFFAOYSA-N -1 1 388.533 4.267 20 0 GIADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000007419385 817836520 /nfs/dbraw/zinc/83/65/20/817836520.db2.gz WDZLWVHBFRLHGC-UHFFFAOYSA-N -1 1 392.221 4.160 20 0 GIADMM CCc1cc2c(COC(=O)c3ccc(Cl)cc3F)cc(=O)oc2cc1[O-] ZINC000007565724 817871189 /nfs/dbraw/zinc/87/11/89/817871189.db2.gz VKHCERDUOOJPTH-UHFFFAOYSA-N -1 1 376.767 4.211 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007618881 817880738 /nfs/dbraw/zinc/88/07/38/817880738.db2.gz NEDOFTACYZWWIR-UHFFFAOYSA-N -1 1 393.420 4.288 20 0 GIADMM CCSc1nnc([N-]C(=O)c2csc(-c3ccc(OC)cc3)n2)s1 ZINC000007807573 817921900 /nfs/dbraw/zinc/92/19/00/817921900.db2.gz HVRCPQMBAXBIHP-UHFFFAOYSA-N -1 1 378.504 4.035 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1 ZINC000008033309 817986023 /nfs/dbraw/zinc/98/60/23/817986023.db2.gz YALHROUPSAIEQV-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000008033572 817986634 /nfs/dbraw/zinc/98/66/34/817986634.db2.gz OHJKNJZSBYMCGI-KXBFYZLASA-N -1 1 386.517 4.104 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)c1 ZINC000008033598 817986836 /nfs/dbraw/zinc/98/68/36/817986836.db2.gz FRFIRUHNRKBVRY-UZLBHIALSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)ccc2o1 ZINC000008110163 818001929 /nfs/dbraw/zinc/00/19/29/818001929.db2.gz QNHIMTAYRLAOOB-UHFFFAOYSA-N -1 1 381.251 4.008 20 0 GIADMM CCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000122102074 823306736 /nfs/dbraw/zinc/30/67/36/823306736.db2.gz XVRGPLYNRFMAHP-UHFFFAOYSA-N -1 1 396.896 4.278 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000011443219 818081716 /nfs/dbraw/zinc/08/17/16/818081716.db2.gz ZRBOJZCSQGFCLN-SECBINFHSA-N -1 1 386.304 4.149 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCC1(c2ccccc2)CC1 ZINC000011750429 818116020 /nfs/dbraw/zinc/11/60/20/818116020.db2.gz SOVIJDRNSKBURU-UHFFFAOYSA-N -1 1 398.919 4.109 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000011986194 818135271 /nfs/dbraw/zinc/13/52/71/818135271.db2.gz IEHIVKDOMKEJAX-UHFFFAOYSA-N -1 1 399.545 4.280 20 0 GIADMM Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013342160 818210033 /nfs/dbraw/zinc/21/00/33/818210033.db2.gz ZMPMTBXEZNNMSH-UHFFFAOYSA-N -1 1 394.663 4.454 20 0 GIADMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015339428 818314768 /nfs/dbraw/zinc/31/47/68/818314768.db2.gz RFWYSTMLLSAXID-UHFFFAOYSA-N -1 1 380.897 4.061 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1C ZINC000015349529 818315404 /nfs/dbraw/zinc/31/54/04/818315404.db2.gz GUMZBGMBRYWZPY-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM CCC(CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015615457 818348565 /nfs/dbraw/zinc/34/85/65/818348565.db2.gz ULWPALNZZYQYQE-UHFFFAOYSA-N -1 1 380.897 4.059 20 0 GIADMM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1cc(F)cc(F)c1 ZINC000016099568 818393187 /nfs/dbraw/zinc/39/31/87/818393187.db2.gz LDQXYAAXEIYFQG-UHFFFAOYSA-N -1 1 375.396 4.345 20 0 GIADMM CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000016506427 818451210 /nfs/dbraw/zinc/45/12/10/818451210.db2.gz GCJSRZULXNOGPJ-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000017442771 818515158 /nfs/dbraw/zinc/51/51/58/818515158.db2.gz UOUPUXSLWJTFJM-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1C ZINC000189028000 823344484 /nfs/dbraw/zinc/34/44/84/823344484.db2.gz VYAAPLKLTUGJEZ-UHFFFAOYSA-N -1 1 391.533 4.472 20 0 GIADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122421519 823351691 /nfs/dbraw/zinc/35/16/91/823351691.db2.gz GTAUCHGLPAGULV-UHFFFAOYSA-N -1 1 390.530 4.218 20 0 GIADMM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1cc2ccc(F)cc2s1 ZINC000021202762 818663978 /nfs/dbraw/zinc/66/39/78/818663978.db2.gz SSQSPAYUCCLPTD-UHFFFAOYSA-N -1 1 394.880 4.247 20 0 GIADMM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[N-]c3nncs3)cc12 ZINC000021213052 818665298 /nfs/dbraw/zinc/66/52/98/818665298.db2.gz XBYHADUKEKMVKI-UHFFFAOYSA-N -1 1 375.866 4.153 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2Cc2ccccc2)c(=O)[n-]1 ZINC000022429822 818805843 /nfs/dbraw/zinc/80/58/43/818805843.db2.gz NJRVUPKJEFYKMI-UHFFFAOYSA-N -1 1 393.512 4.375 20 0 GIADMM CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(Cl)cc1 ZINC000022492331 818817234 /nfs/dbraw/zinc/81/72/34/818817234.db2.gz QNAFLNSODZQIGA-HNNXBMFYSA-N -1 1 379.913 4.066 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000022931517 818878511 /nfs/dbraw/zinc/87/85/11/818878511.db2.gz VRUUDUYGGSJVQY-GXTWGEPZSA-N -1 1 377.535 4.041 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000023484316 818945295 /nfs/dbraw/zinc/94/52/95/818945295.db2.gz SHWXPRVSDXEXDA-UHFFFAOYSA-N -1 1 384.480 4.104 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1 ZINC000460422538 823384078 /nfs/dbraw/zinc/38/40/78/823384078.db2.gz DULLHCBQGHAODJ-UHFFFAOYSA-N -1 1 387.530 4.496 20 0 GIADMM CCOc1ccccc1-c1nnc(SCc2cc(=O)oc3cc([O-])ccc23)o1 ZINC000024354201 819049377 /nfs/dbraw/zinc/04/93/77/819049377.db2.gz XZRDORFSEGRRRB-UHFFFAOYSA-N -1 1 396.424 4.240 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460420271 823383279 /nfs/dbraw/zinc/38/32/79/823383279.db2.gz MMNYEAMVZXDKJJ-UHFFFAOYSA-N -1 1 393.411 4.293 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460430167 823386468 /nfs/dbraw/zinc/38/64/68/823386468.db2.gz OKSJWGFZANGRJR-UHFFFAOYSA-N -1 1 386.517 4.442 20 0 GIADMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccc(F)c(F)c1F ZINC000177236938 823406845 /nfs/dbraw/zinc/40/68/45/823406845.db2.gz LNHZABYFQZIIQK-UHFFFAOYSA-N -1 1 383.782 4.452 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(C)c2C)cc1 ZINC000024813505 819880757 /nfs/dbraw/zinc/88/07/57/819880757.db2.gz JSQOXCIDHOWKEN-UHFFFAOYSA-N -1 1 382.489 4.262 20 0 GIADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000122955078 823439289 /nfs/dbraw/zinc/43/92/89/823439289.db2.gz IBFUENBYZMDFLT-QHCPKHFHSA-N -1 1 379.890 4.031 20 0 GIADMM CCN(Cc1cccs1)C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000025288129 819955591 /nfs/dbraw/zinc/95/55/91/819955591.db2.gz NEICXNBXKWJICX-UHFFFAOYSA-N -1 1 386.546 4.416 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)s2)c1 ZINC000025523425 819995635 /nfs/dbraw/zinc/99/56/35/819995635.db2.gz NWUHMLGPGOEZFS-UHFFFAOYSA-N -1 1 392.937 4.338 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1OC ZINC000026542211 820110897 /nfs/dbraw/zinc/11/08/97/820110897.db2.gz XTMLXXXBYDAPBS-UHFFFAOYSA-N -1 1 391.489 4.134 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)o1 ZINC000026540019 820111235 /nfs/dbraw/zinc/11/12/35/820111235.db2.gz PUIDLZOYVBSNKS-UHFFFAOYSA-N -1 1 398.362 4.349 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548191 820112469 /nfs/dbraw/zinc/11/24/69/820112469.db2.gz VYYLZCFMFLIKJA-UHFFFAOYSA-N -1 1 384.457 4.419 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 ZINC000026878410 820157205 /nfs/dbraw/zinc/15/72/05/820157205.db2.gz FTKIDRJFOFNTCZ-RKDXNWHRSA-N -1 1 395.390 4.244 20 0 GIADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000410323339 823462949 /nfs/dbraw/zinc/46/29/49/823462949.db2.gz BSKHSSZKALZMAT-UHFFFAOYSA-N -1 1 397.500 4.086 20 0 GIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027698272 820277319 /nfs/dbraw/zinc/27/73/19/820277319.db2.gz RRHFHOLVLXPYAV-OXJNMPFZSA-N -1 1 386.517 4.186 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028490729 820339364 /nfs/dbraw/zinc/33/93/64/820339364.db2.gz NSQXXRJQTNEVIR-LJQANCHMSA-N -1 1 386.517 4.201 20 0 GIADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000028810275 820359831 /nfs/dbraw/zinc/35/98/31/820359831.db2.gz QLRCJDJYMJMGTG-UHFFFAOYSA-N -1 1 390.530 4.120 20 0 GIADMM COc1ccc(Cl)cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000029107735 820393799 /nfs/dbraw/zinc/39/37/99/820393799.db2.gz FLYZIFGJHYMHKP-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM O=S(=O)([N-][C@@H]1CCSc2ccc(Cl)cc21)c1ccc(F)c(F)c1F ZINC000029186819 820408437 /nfs/dbraw/zinc/40/84/37/820408437.db2.gz XVMHXGJPZCUSAE-LLVKDONJSA-N -1 1 393.839 4.273 20 0 GIADMM O=S(=O)([N-][C@H]1CCSc2ccc(Cl)cc21)c1cc(F)ccc1F ZINC000029186827 820409200 /nfs/dbraw/zinc/40/92/00/820409200.db2.gz VNZRTYMQMBWIRW-ZDUSSCGKSA-N -1 1 375.849 4.134 20 0 GIADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000029337861 820439193 /nfs/dbraw/zinc/43/91/93/820439193.db2.gz GHMANXZFUZBWBU-UHFFFAOYSA-N -1 1 387.501 4.251 20 0 GIADMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000029403591 820451108 /nfs/dbraw/zinc/45/11/08/820451108.db2.gz TWPWUFCDMGPYII-UHFFFAOYSA-N -1 1 395.406 4.309 20 0 GIADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000410410546 823489729 /nfs/dbraw/zinc/48/97/29/823489729.db2.gz YEUGKSUTBUMATJ-UHFFFAOYSA-N -1 1 384.448 4.342 20 0 GIADMM CC(C)Oc1c(NS(=O)(=O)c2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC000410403090 823488010 /nfs/dbraw/zinc/48/80/10/823488010.db2.gz RGHBICUWEYWNOG-UHFFFAOYSA-N -1 1 377.462 4.096 20 0 GIADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1OC ZINC000410415597 823490675 /nfs/dbraw/zinc/49/06/75/823490675.db2.gz AEXLJAZTCLJQAZ-UHFFFAOYSA-N -1 1 398.214 4.090 20 0 GIADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030380997 820608757 /nfs/dbraw/zinc/60/87/57/820608757.db2.gz CCHBLELTODJENC-JXFKEZNVSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000410417315 823491397 /nfs/dbraw/zinc/49/13/97/823491397.db2.gz JZZCFDJFZDNHHG-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410423597 823493387 /nfs/dbraw/zinc/49/33/87/823493387.db2.gz OWUKLRDSLKQSAL-UHFFFAOYSA-N -1 1 392.235 4.028 20 0 GIADMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)n1 ZINC000060059905 823506207 /nfs/dbraw/zinc/50/62/07/823506207.db2.gz LDTACLKKNKFDNX-UHFFFAOYSA-N -1 1 385.514 4.485 20 0 GIADMM O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(F)c(Cl)c1 ZINC000060062888 823506280 /nfs/dbraw/zinc/50/62/80/823506280.db2.gz UEZIPNNZUYQXJU-MRXNPFEDSA-N -1 1 395.843 4.008 20 0 GIADMM C[C@@H](O[N-]C(=O)CCC1CCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000177624080 823503207 /nfs/dbraw/zinc/50/32/07/823503207.db2.gz ZQDHGIFYSZERHJ-CYBMUJFWSA-N -1 1 386.414 4.441 20 0 GIADMM CCCCN(CCCC)C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000031461470 820814471 /nfs/dbraw/zinc/81/44/71/820814471.db2.gz GWIZKRLKWADFSS-UHFFFAOYSA-N -1 1 376.526 4.045 20 0 GIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000060086847 823507121 /nfs/dbraw/zinc/50/71/21/823507121.db2.gz NGLJZLRHKQTZDP-UHFFFAOYSA-N -1 1 396.468 4.411 20 0 GIADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000031720956 820850904 /nfs/dbraw/zinc/85/09/04/820850904.db2.gz JIMDTIKLCMSYRU-UHFFFAOYSA-N -1 1 392.908 4.287 20 0 GIADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(Br)c([O-])c1 ZINC000123500772 823514909 /nfs/dbraw/zinc/51/49/09/823514909.db2.gz DTTUYYLMPHXTMT-CYBMUJFWSA-N -1 1 382.254 4.261 20 0 GIADMM Cc1cc([C@H](C)NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(C)s1 ZINC000032401763 820934563 /nfs/dbraw/zinc/93/45/63/820934563.db2.gz ZTFCSUWSTNNLED-JTQLQIEISA-N -1 1 378.548 4.225 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1Cl ZINC000032588497 820973102 /nfs/dbraw/zinc/97/31/02/820973102.db2.gz VRNFKJPUNHNZIA-UHFFFAOYSA-N -1 1 395.864 4.191 20 0 GIADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1Cl ZINC000460826532 823523745 /nfs/dbraw/zinc/52/37/45/823523745.db2.gz BRQHDQMBWZRWFH-UHFFFAOYSA-N -1 1 394.924 4.404 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnccc3C)ccc2C)c1 ZINC000460816872 823520511 /nfs/dbraw/zinc/52/05/11/823520511.db2.gz XTONOFHQRZGMFT-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000460821528 823521915 /nfs/dbraw/zinc/52/19/15/823521915.db2.gz BFJSNUAPHOFPGX-UHFFFAOYSA-N -1 1 396.516 4.447 20 0 GIADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000033098671 821033773 /nfs/dbraw/zinc/03/37/73/821033773.db2.gz TYAKMLVXGNGWKL-QFBILLFUSA-N -1 1 386.517 4.138 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@H](C)C3)c2)cc1 ZINC000033181528 821044053 /nfs/dbraw/zinc/04/40/53/821044053.db2.gz VWXWAXPTJSYFAN-LPHOPBHVSA-N -1 1 386.517 4.104 20 0 GIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000033897048 821060783 /nfs/dbraw/zinc/06/07/83/821060783.db2.gz WTCLAHOHGXYKHZ-UHFFFAOYSA-N -1 1 384.423 4.497 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000033925643 821061356 /nfs/dbraw/zinc/06/13/56/821061356.db2.gz SBDZZNBLFPPZKR-UHFFFAOYSA-N -1 1 384.335 4.041 20 0 GIADMM O=C(CCc1cccs1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000060414438 823525029 /nfs/dbraw/zinc/52/50/29/823525029.db2.gz DYRZFFNVETZIEH-UHFFFAOYSA-N -1 1 386.498 4.120 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc(C)c1F ZINC000460834091 823525112 /nfs/dbraw/zinc/52/51/12/823525112.db2.gz FUUGTDLSHYJJLB-UHFFFAOYSA-N -1 1 376.375 4.218 20 0 GIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460835140 823525434 /nfs/dbraw/zinc/52/54/34/823525434.db2.gz DDFKSJLDJCRPBB-UHFFFAOYSA-N -1 1 388.533 4.171 20 0 GIADMM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC000038642110 821098393 /nfs/dbraw/zinc/09/83/93/821098393.db2.gz LHBTXUFGQJYSOS-UHFFFAOYSA-N -1 1 391.345 4.002 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc(C)c1F ZINC000460837175 823525882 /nfs/dbraw/zinc/52/58/82/823525882.db2.gz RSDKSMITMHHFDR-UHFFFAOYSA-N -1 1 389.452 4.417 20 0 GIADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)c1 ZINC000460838826 823526064 /nfs/dbraw/zinc/52/60/64/823526064.db2.gz KRFFWESEODULOA-UHFFFAOYSA-N -1 1 393.530 4.224 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccc(F)cc32)cc1 ZINC000060472426 823531993 /nfs/dbraw/zinc/53/19/93/823531993.db2.gz RLCRIIMQFYPXIS-UHFFFAOYSA-N -1 1 382.464 4.035 20 0 GIADMM Cc1ccc(-c2csc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)n2)cc1C ZINC000123711523 823533905 /nfs/dbraw/zinc/53/39/05/823533905.db2.gz XCRRAHFENUJPMS-UHFFFAOYSA-N -1 1 396.516 4.368 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180778931 821451705 /nfs/dbraw/zinc/45/17/05/821451705.db2.gz REVYDLDXOPEODR-DOTOQJQBSA-N -1 1 397.368 4.278 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(=O)[n-]1 ZINC000044066252 821514801 /nfs/dbraw/zinc/51/48/01/821514801.db2.gz BQOZSIZIOHLGLP-ZDUSSCGKSA-N -1 1 385.489 4.111 20 0 GIADMM O=S(=O)([N-]c1cccc(NC(=S)Nc2ccccc2)c1)c1ccccc1 ZINC000044081089 821518542 /nfs/dbraw/zinc/51/85/42/821518542.db2.gz BKKDEWIIHAUWMM-UHFFFAOYSA-N -1 1 383.498 4.296 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000180996612 821582845 /nfs/dbraw/zinc/58/28/45/821582845.db2.gz HQJNWJBROIJTJE-NSHDSACASA-N -1 1 391.393 4.412 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000182519044 822279680 /nfs/dbraw/zinc/27/96/80/822279680.db2.gz YPYSNSOXRIDQRC-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1[O-] ZINC000178161616 822337362 /nfs/dbraw/zinc/33/73/62/822337362.db2.gz AZBODGXEWVEDSE-UHFFFAOYSA-N -1 1 390.505 4.398 20 0 GIADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C1CC1 ZINC000045369292 822381881 /nfs/dbraw/zinc/38/18/81/822381881.db2.gz FVSLYVRQONMWGR-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000182901022 822389110 /nfs/dbraw/zinc/38/91/10/822389110.db2.gz BFLJEDANCMZARC-VOTSOKGWSA-N -1 1 384.233 4.058 20 0 GIADMM O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1ccc(-c2nccs2)cc1 ZINC000183048693 822417500 /nfs/dbraw/zinc/41/75/00/822417500.db2.gz AOAFKQHVAIKPSR-UHFFFAOYSA-N -1 1 390.827 4.069 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC[C@H]1c1ccccc1 ZINC000045853648 822419158 /nfs/dbraw/zinc/41/91/58/822419158.db2.gz DWYXMYSJUSPSKG-NRFANRHFSA-N -1 1 392.480 4.075 20 0 GIADMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000178984527 822426447 /nfs/dbraw/zinc/42/64/47/822426447.db2.gz PLDVMDCLJMXKRB-CQSZACIVSA-N -1 1 383.473 4.014 20 0 GIADMM COc1cc(C(=O)[N-]c2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)on1 ZINC000183330828 822459783 /nfs/dbraw/zinc/45/97/83/822459783.db2.gz SULYNVHVFGIHEW-UHFFFAOYSA-N -1 1 394.456 4.419 20 0 GIADMM O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc([O-])c(F)c2)s1 ZINC000179324659 822466288 /nfs/dbraw/zinc/46/62/88/822466288.db2.gz HNYTUBRRBRWYCL-WQLSENKSSA-N -1 1 375.812 4.372 20 0 GIADMM O=c1cc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c2ccc([O-])cc2o1 ZINC000183460432 822478601 /nfs/dbraw/zinc/47/86/01/822478601.db2.gz ISYQFMQGJMDNGB-QGZVFWFLSA-N -1 1 385.288 4.170 20 0 GIADMM O=C(CCc1ccccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588288 822488960 /nfs/dbraw/zinc/48/89/60/822488960.db2.gz NXVWTKIDJBRETK-UHFFFAOYSA-N -1 1 398.459 4.198 20 0 GIADMM Cc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591952 822489169 /nfs/dbraw/zinc/48/91/69/822489169.db2.gz RKSYXUPPACSYMX-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591953 822489244 /nfs/dbraw/zinc/48/92/44/822489244.db2.gz AXTNBFABIBGXEH-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(CCc1ccc(F)cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611707 822492167 /nfs/dbraw/zinc/49/21/67/822492167.db2.gz WOOYQHREXPLQRY-UHFFFAOYSA-N -1 1 398.459 4.198 20 0 GIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C ZINC000046623902 822494492 /nfs/dbraw/zinc/49/44/92/822494492.db2.gz BLDAIWASTKXUJX-UHFFFAOYSA-N -1 1 390.288 4.128 20 0 GIADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179541340 822500076 /nfs/dbraw/zinc/50/00/76/822500076.db2.gz AUYHRFMLMMNVFT-BETUJISGSA-N -1 1 388.414 4.326 20 0 GIADMM CC[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1OC ZINC000046685776 822505108 /nfs/dbraw/zinc/50/51/08/822505108.db2.gz DEKCQJQXZYYXRW-FQEVSTJZSA-N -1 1 396.487 4.156 20 0 GIADMM COc1cccc(C2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000179745753 822541531 /nfs/dbraw/zinc/54/15/31/822541531.db2.gz KBKAMKGHROKKBI-UHFFFAOYSA-N -1 1 390.277 4.183 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000179771822 822549431 /nfs/dbraw/zinc/54/94/31/822549431.db2.gz PSJWELGXLMFECK-UHFFFAOYSA-N -1 1 396.468 4.025 20 0 GIADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc2ccccc21 ZINC000047450048 822580720 /nfs/dbraw/zinc/58/07/20/822580720.db2.gz LWBQVYWMKXOLPL-UHFFFAOYSA-N -1 1 381.501 4.351 20 0 GIADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[N-]NC(=O)C1CCCC1 ZINC000047451825 822581075 /nfs/dbraw/zinc/58/10/75/822581075.db2.gz MSCNIMUHAPPSRT-UHFFFAOYSA-N -1 1 397.422 4.089 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000184148849 822585942 /nfs/dbraw/zinc/58/59/42/822585942.db2.gz IWIJRKDTSUQBTN-JXFKEZNVSA-N -1 1 399.516 4.284 20 0 GIADMM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000184150009 822586146 /nfs/dbraw/zinc/58/61/46/822586146.db2.gz XAHMKJJZGFBVDI-HZPDHXFCSA-N -1 1 387.505 4.140 20 0 GIADMM COc1cc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1ccccc1Cl ZINC000048169647 822641762 /nfs/dbraw/zinc/64/17/62/822641762.db2.gz LBNZUMONGFOVQP-UHFFFAOYSA-N -1 1 386.860 4.152 20 0 GIADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000180271801 822652161 /nfs/dbraw/zinc/65/21/61/822652161.db2.gz XMKXVRHYZMJEJK-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1Br ZINC000180277565 822653114 /nfs/dbraw/zinc/65/31/14/822653114.db2.gz STQZWBSUINYDBY-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000180276807 822653140 /nfs/dbraw/zinc/65/31/40/822653140.db2.gz GRYWYIVGGCYWEG-UHFFFAOYSA-N -1 1 396.639 4.059 20 0 GIADMM C[C@@H](CCCc1ccccc1)C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000180309895 822661339 /nfs/dbraw/zinc/66/13/39/822661339.db2.gz ACYORNNMVXUWTL-ZDUSSCGKSA-N -1 1 379.287 4.413 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184612471 822665752 /nfs/dbraw/zinc/66/57/52/822665752.db2.gz XAXCSOXSWDLCCQ-UHFFFAOYSA-N -1 1 387.789 4.300 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000180415972 822677816 /nfs/dbraw/zinc/67/78/16/822677816.db2.gz GCOHEZCRLALNBC-UHFFFAOYSA-N -1 1 389.377 4.307 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C(C)C)ccc2Cl)c1F ZINC000180502796 822691911 /nfs/dbraw/zinc/69/19/11/822691911.db2.gz AAVOLTJCYAHTKL-UHFFFAOYSA-N -1 1 398.887 4.069 20 0 GIADMM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(F)c(F)c([O-])c1F ZINC000184936850 822715529 /nfs/dbraw/zinc/71/55/29/822715529.db2.gz HTUBLCZIWKIJAU-IBGZPJMESA-N -1 1 397.356 4.205 20 0 GIADMM CC(C)(C)OCc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)no1 ZINC000185003896 822724337 /nfs/dbraw/zinc/72/43/37/822724337.db2.gz QQNOEZHOLIJSBZ-UHFFFAOYSA-N -1 1 397.479 4.325 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@H](C)C3CC3)c2)c1 ZINC000455806915 822729881 /nfs/dbraw/zinc/72/98/81/822729881.db2.gz XZPDXMLEKMWKLX-OAHLLOKOSA-N -1 1 387.505 4.024 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nc1-c1ccccc1 ZINC000185059248 822730699 /nfs/dbraw/zinc/73/06/99/822730699.db2.gz HDGHSWDEXLHMNX-FUHWJXTLSA-N -1 1 397.544 4.019 20 0 GIADMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000174334902 822773370 /nfs/dbraw/zinc/77/33/70/822773370.db2.gz SJEQZVJPXBFEKM-HNNXBMFYSA-N -1 1 380.429 4.097 20 0 GIADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(F)c1 ZINC000052025582 822788186 /nfs/dbraw/zinc/78/81/86/822788186.db2.gz IWPMOGDXZIUKBY-UHFFFAOYSA-N -1 1 394.287 4.238 20 0 GIADMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ncoc1-c1ccc(F)cc1 ZINC000185718735 822814012 /nfs/dbraw/zinc/81/40/12/822814012.db2.gz UIXQFIULRUBLGD-UHFFFAOYSA-N -1 1 398.394 4.314 20 0 GIADMM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000174697886 822824828 /nfs/dbraw/zinc/82/48/28/822824828.db2.gz YBRJKAHAEVMCSZ-UHFFFAOYSA-N -1 1 376.441 4.345 20 0 GIADMM O=C(c1ccc(Br)c([O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185974912 822839938 /nfs/dbraw/zinc/83/99/38/822839938.db2.gz GOZBIBYOPFAZLY-INIZCTEOSA-N -1 1 396.668 4.022 20 0 GIADMM COc1ccc(C)cc1NC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000053565165 822841004 /nfs/dbraw/zinc/84/10/04/822841004.db2.gz ULBWJMMMYLXUCD-UHFFFAOYSA-N -1 1 382.489 4.262 20 0 GIADMM O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1ccccc1CC(F)(F)F ZINC000186179746 822858479 /nfs/dbraw/zinc/85/84/79/822858479.db2.gz YLUGLIWEZAKBPM-UHFFFAOYSA-N -1 1 389.736 4.050 20 0 GIADMM Cc1ccc(Oc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cn2)cc1 ZINC000175006973 822866400 /nfs/dbraw/zinc/86/64/00/822866400.db2.gz YAHYLHDVRMWZQG-UHFFFAOYSA-N -1 1 392.459 4.124 20 0 GIADMM Cc1csc(-c2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)cc2)n1 ZINC000175097060 822881712 /nfs/dbraw/zinc/88/17/12/822881712.db2.gz RQWNGSJSJVHUER-UHFFFAOYSA-N -1 1 382.489 4.060 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000175163921 822895805 /nfs/dbraw/zinc/89/58/05/822895805.db2.gz ZFHDDFAMOACWOW-NVXWUHKLSA-N -1 1 386.517 4.056 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000175163900 822895914 /nfs/dbraw/zinc/89/59/14/822895914.db2.gz ZFHDDFAMOACWOW-RDJZCZTQSA-N -1 1 386.517 4.056 20 0 GIADMM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc(F)c2ncccc12 ZINC000569496711 822929827 /nfs/dbraw/zinc/92/98/27/822929827.db2.gz SDWAFUJPRKLQQR-UHFFFAOYSA-N -1 1 395.415 4.362 20 0 GIADMM O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cc(F)c([O-])c(F)c1 ZINC000175321196 822934315 /nfs/dbraw/zinc/93/43/15/822934315.db2.gz SHNUIEZUJXUXIK-BJMVGYQFSA-N -1 1 394.299 4.343 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc(Cl)c1[O-] ZINC000186679159 822935609 /nfs/dbraw/zinc/93/56/09/822935609.db2.gz QGNHUVQXRGMEQW-UHFFFAOYSA-N -1 1 390.867 4.143 20 0 GIADMM C[C@H]1CCN(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c2ccccc2S1 ZINC000569533798 822935776 /nfs/dbraw/zinc/93/57/76/822935776.db2.gz OZTDMGCAWFKJOO-JTQLQIEISA-N -1 1 397.472 4.129 20 0 GIADMM CCOc1cc(C(=O)Nc2ccccc2C(=O)N(CC)CC)cc(Cl)c1[O-] ZINC000186689319 822938133 /nfs/dbraw/zinc/93/81/33/822938133.db2.gz SVEGDRRDQFWYSC-UHFFFAOYSA-N -1 1 390.867 4.179 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc(Cl)c1[O-] ZINC000186717434 822943659 /nfs/dbraw/zinc/94/36/59/822943659.db2.gz DDFRMQRLCUKWPT-UHFFFAOYSA-N -1 1 383.231 4.308 20 0 GIADMM O=C(c1nc[n-]c1-c1nc(CSc2ccc(F)cc2)no1)c1ccccc1 ZINC000569618725 822945699 /nfs/dbraw/zinc/94/56/99/822945699.db2.gz IBBCIDKFHPEXSY-UHFFFAOYSA-N -1 1 380.404 4.122 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1C(F)(F)F ZINC000569633684 822947891 /nfs/dbraw/zinc/94/78/91/822947891.db2.gz HZXDRQSPHXYGSH-UHFFFAOYSA-N -1 1 381.379 4.000 20 0 GIADMM Cc1cccc(CSCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055315140 822951227 /nfs/dbraw/zinc/95/12/27/822951227.db2.gz AVNBQRZNCTTYKP-UHFFFAOYSA-N -1 1 383.513 4.055 20 0 GIADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000055315681 822951453 /nfs/dbraw/zinc/95/14/53/822951453.db2.gz IFYAKAFNZZWNHD-QRWLVFNGSA-N -1 1 381.472 4.163 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc(Cl)c1[O-] ZINC000186836974 822964468 /nfs/dbraw/zinc/96/44/68/822964468.db2.gz FQZJSLLLUQRIOA-MRXNPFEDSA-N -1 1 389.879 4.123 20 0 GIADMM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000569765622 822965511 /nfs/dbraw/zinc/96/55/11/822965511.db2.gz BVADNWKQXSYSMP-KRWDZBQOSA-N -1 1 378.266 4.152 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000186864506 822970709 /nfs/dbraw/zinc/97/07/09/822970709.db2.gz GPYBCPOHHXHYSS-BZNIZROVSA-N -1 1 381.881 4.108 20 0 GIADMM CCOc1cc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)cc(Cl)c1[O-] ZINC000186867305 822971142 /nfs/dbraw/zinc/97/11/42/822971142.db2.gz ADGPPLLCDUIRNX-SFHVURJKSA-N -1 1 385.847 4.061 20 0 GIADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3ccc(C(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000055503434 822972441 /nfs/dbraw/zinc/97/24/41/822972441.db2.gz DBGLZDYAAYZDFQ-GFCCVEGCSA-N -1 1 383.517 4.250 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C)CC=CCC2)cc1 ZINC000458311003 822981798 /nfs/dbraw/zinc/98/17/98/822981798.db2.gz LKBDJCRVOGNZML-OAQYLSRUSA-N -1 1 384.501 4.024 20 0 GIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)ccc1OC ZINC000055631756 822989805 /nfs/dbraw/zinc/98/98/05/822989805.db2.gz XITSHMAEKWRQQT-UHFFFAOYSA-N -1 1 387.457 4.057 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2)cc1C ZINC000055650423 822993062 /nfs/dbraw/zinc/99/30/62/822993062.db2.gz MMBRPKBMYIDRED-UHFFFAOYSA-N -1 1 394.496 4.381 20 0 GIADMM CCSCC[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000175574663 823000711 /nfs/dbraw/zinc/00/07/11/823000711.db2.gz SQIADNDLKSQFKU-HNNXBMFYSA-N -1 1 392.594 4.296 20 0 GIADMM C[C@H]1CCCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000187102645 823010807 /nfs/dbraw/zinc/01/08/07/823010807.db2.gz IYTKTZJVPBDPFQ-ZDUSSCGKSA-N -1 1 388.414 4.185 20 0 GIADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000570211629 823015776 /nfs/dbraw/zinc/01/57/76/823015776.db2.gz IXTUIRIJLXGRCV-DGCLKSJQSA-N -1 1 395.322 4.258 20 0 GIADMM O=C([O-])c1ccc(CN(CCc2cccc(F)c2)C2CC2)c(Br)c1 ZINC000570287155 823022668 /nfs/dbraw/zinc/02/26/68/823022668.db2.gz VBLZZDWGOPCZJS-UHFFFAOYSA-N -1 1 392.268 4.494 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1F ZINC000175775744 823037547 /nfs/dbraw/zinc/03/75/47/823037547.db2.gz GAYVTKYCVWMKSN-UHFFFAOYSA-N -1 1 377.359 4.130 20 0 GIADMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000190232487 823553584 /nfs/dbraw/zinc/55/35/84/823553584.db2.gz QGLKVZHHIDKSAX-QGZVFWFLSA-N -1 1 396.468 4.156 20 0 GIADMM CCc1ccc2nc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)[n-]c(=O)c2c1 ZINC000060797510 823558256 /nfs/dbraw/zinc/55/82/56/823558256.db2.gz XCIAVBLRPMYOKP-UHFFFAOYSA-N -1 1 397.478 4.391 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000124163997 823573505 /nfs/dbraw/zinc/57/35/05/823573505.db2.gz YTQPNXZFIPUBPU-LJQANCHMSA-N -1 1 392.528 4.322 20 0 GIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cnc([C@H]2CCCO2)s1 ZINC000124164330 823573700 /nfs/dbraw/zinc/57/37/00/823573700.db2.gz GDLYKRBPHZSYLF-GFCCVEGCSA-N -1 1 378.523 4.221 20 0 GIADMM CC/C=C(/C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000061341809 823592339 /nfs/dbraw/zinc/59/23/39/823592339.db2.gz VZZKYYSCWFCRPP-PQMHYQBVSA-N -1 1 378.881 4.436 20 0 GIADMM COc1c(Cl)cccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000061428986 823596739 /nfs/dbraw/zinc/59/67/39/823596739.db2.gz HAMPZPQYTUAOCY-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4c(C)nn(C)c4c3)c2)n1 ZINC000461340027 823620647 /nfs/dbraw/zinc/62/06/47/823620647.db2.gz KVMRXJBMXUKUNU-UHFFFAOYSA-N -1 1 398.513 4.114 20 0 GIADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000461437302 823637222 /nfs/dbraw/zinc/63/72/22/823637222.db2.gz SJZJXKPAUKAXRN-UHFFFAOYSA-N -1 1 396.640 4.490 20 0 GIADMM C[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)C(F)(F)F ZINC000412292267 823643503 /nfs/dbraw/zinc/64/35/03/823643503.db2.gz PHQUORJRIPPMJG-BYPYZUCNSA-N -1 1 390.981 4.054 20 0 GIADMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000125144176 823654622 /nfs/dbraw/zinc/65/46/22/823654622.db2.gz RQYLYMDHBNRXOL-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM CCN(CC)C(=O)COc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191220244 823660354 /nfs/dbraw/zinc/66/03/54/823660354.db2.gz WBTRXXOCCSTNRC-UHFFFAOYSA-N -1 1 380.847 4.044 20 0 GIADMM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cnc([C@H]2CCCO2)s1 ZINC000125365982 823670833 /nfs/dbraw/zinc/67/08/33/823670833.db2.gz RCTFAPFXLXGUOO-LLVKDONJSA-N -1 1 392.893 4.419 20 0 GIADMM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000063635115 823685422 /nfs/dbraw/zinc/68/54/22/823685422.db2.gz GWCSUJXPZAKTKW-UHFFFAOYSA-N -1 1 377.506 4.129 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)CC(F)F)ccc2C)c1 ZINC000413038972 823700926 /nfs/dbraw/zinc/70/09/26/823700926.db2.gz UARHMSSPXSOBSN-CQSZACIVSA-N -1 1 396.459 4.334 20 0 GIADMM CCN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1cccc2ccccc21 ZINC000574321492 823702278 /nfs/dbraw/zinc/70/22/78/823702278.db2.gz FKUINQCNAAHUMX-UHFFFAOYSA-N -1 1 389.427 4.418 20 0 GIADMM CCOc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1OC ZINC000063912247 823710098 /nfs/dbraw/zinc/71/00/98/823710098.db2.gz QHDPQCNOKFGAEK-UHFFFAOYSA-N -1 1 393.358 4.053 20 0 GIADMM Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163891265 823757760 /nfs/dbraw/zinc/75/77/60/823757760.db2.gz XUAYSDLKVDTOSX-UHFFFAOYSA-N -1 1 379.485 4.093 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nc1-c1ccccc1 ZINC000163926032 823761640 /nfs/dbraw/zinc/76/16/40/823761640.db2.gz MUWAUKCGOKSEJD-DNVCBOLYSA-N -1 1 399.560 4.263 20 0 GIADMM CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000163952051 823764977 /nfs/dbraw/zinc/76/49/77/823764977.db2.gz DNHVCTMEULUHNT-UHFFFAOYSA-N -1 1 379.485 4.039 20 0 GIADMM Cc1nc(-c2ccc(NCc3cccc(-c4ccccn4)c3)nc2)[n-]c(=O)c1C ZINC000164219143 823787052 /nfs/dbraw/zinc/78/70/52/823787052.db2.gz ZPNGMKJAQJXSCP-UHFFFAOYSA-N -1 1 383.455 4.123 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000574733909 823813963 /nfs/dbraw/zinc/81/39/63/823813963.db2.gz NWQPMUYXDGXOMI-ZWKOTPCHSA-N -1 1 375.472 4.227 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC000064478194 823827264 /nfs/dbraw/zinc/82/72/64/823827264.db2.gz VFSHGINAXFTAGU-GJZGRUSLSA-N -1 1 394.924 4.063 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1 ZINC000064477430 823827384 /nfs/dbraw/zinc/82/73/84/823827384.db2.gz QPWSLWZOBJLKPR-UHFFFAOYSA-N -1 1 395.546 4.151 20 0 GIADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccccc4)c3)cc2oc1=O ZINC000574839946 823839791 /nfs/dbraw/zinc/83/97/91/823839791.db2.gz JWCRLHQTGMLTSF-UHFFFAOYSA-N -1 1 394.452 4.082 20 0 GIADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(F)c2ncccc12 ZINC000574851725 823842949 /nfs/dbraw/zinc/84/29/49/823842949.db2.gz ZEHSWCIRWXNVES-UHFFFAOYSA-N -1 1 384.354 4.280 20 0 GIADMM O=C([O-])C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000574931367 823862954 /nfs/dbraw/zinc/86/29/54/823862954.db2.gz OLYOLEUROZXAHK-CYBMUJFWSA-N -1 1 396.196 4.058 20 0 GIADMM O=C(Nc1nnc(Cc2ccccc2F)s1)Nc1ccc([O-])c(Cl)c1 ZINC000192215965 823905883 /nfs/dbraw/zinc/90/58/83/823905883.db2.gz MTWZDSIATICNMA-UHFFFAOYSA-N -1 1 378.816 4.271 20 0 GIADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2oc3ccccc3c2C)c(=O)[n-]1 ZINC000126611675 823910585 /nfs/dbraw/zinc/91/05/85/823910585.db2.gz VAIBNXDZDAGWFI-ZDUSSCGKSA-N -1 1 386.473 4.092 20 0 GIADMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1F ZINC000064937666 823915377 /nfs/dbraw/zinc/91/53/77/823915377.db2.gz HLRQRLLHXDEQJR-UHFFFAOYSA-N -1 1 396.343 4.147 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(SC(F)(F)F)cc1 ZINC000064938069 823915971 /nfs/dbraw/zinc/91/59/71/823915971.db2.gz QAOCBSQSQGPVAX-UHFFFAOYSA-N -1 1 399.419 4.489 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1C ZINC000065070360 823935534 /nfs/dbraw/zinc/93/55/34/823935534.db2.gz CVSRQQSKSKHIDL-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM CC(C)Oc1ccc(F)cc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000170776589 823968456 /nfs/dbraw/zinc/96/84/56/823968456.db2.gz LFNWYOJMXUECAI-UHFFFAOYSA-N -1 1 392.481 4.234 20 0 GIADMM Cc1ccc(NC(=O)c2ccoc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000192410596 823977048 /nfs/dbraw/zinc/97/70/48/823977048.db2.gz XJOOFLJIQJMRSF-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)c3ccccc32)cc1 ZINC000126940728 823985902 /nfs/dbraw/zinc/98/59/02/823985902.db2.gz OMOMTHYEBCODGF-AWEZNQCLSA-N -1 1 394.500 4.157 20 0 GIADMM CSc1nsc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)n1 ZINC000127142625 824025308 /nfs/dbraw/zinc/02/53/08/824025308.db2.gz CGGAEILARHKNCQ-UHFFFAOYSA-N -1 1 384.845 4.268 20 0 GIADMM CCOc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1[O-] ZINC000171042567 824045301 /nfs/dbraw/zinc/04/53/01/824045301.db2.gz QLWSHWVJRXNQAK-UHFFFAOYSA-N -1 1 399.878 4.177 20 0 GIADMM C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015796620 210171429 /nfs/dbraw/zinc/17/14/29/210171429.db2.gz QJYBJQSZAYASJO-CQSZACIVSA-N -1 1 392.908 4.155 20 0 GIADMM CC(C)CCn1ncc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1C(C)C ZINC000451035459 452920715 /nfs/dbraw/zinc/92/07/15/452920715.db2.gz BTJWUCPWGIIOPO-UHFFFAOYSA-N -1 1 385.917 4.212 20 0 GIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1F ZINC000570493135 823046138 /nfs/dbraw/zinc/04/61/38/823046138.db2.gz HQEROGAUAYFNQY-UHFFFAOYSA-N -1 1 381.322 4.101 20 0 GIADMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1nc(C(F)(F)F)cs1 ZINC000187396533 823055663 /nfs/dbraw/zinc/05/56/63/823055663.db2.gz PBHFINHPFCEXOD-SECBINFHSA-N -1 1 396.481 4.313 20 0 GIADMM COc1ccc(N[C@@H]2CCSc3cc(C)c(C)cc32)cc1[N-]S(C)(=O)=O ZINC000187499149 823075728 /nfs/dbraw/zinc/07/57/28/823075728.db2.gz VKMMYPCPYJLAFM-MRXNPFEDSA-N -1 1 392.546 4.333 20 0 GIADMM COC(=O)c1c[n-]c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 ZINC000187595012 823094512 /nfs/dbraw/zinc/09/45/12/823094512.db2.gz IXUZZHWSPZGCME-UHFFFAOYSA-N -1 1 375.494 4.174 20 0 GIADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000121015912 823103231 /nfs/dbraw/zinc/10/32/31/823103231.db2.gz BWPUJAGNRCMZLM-HUUCEWRRSA-N -1 1 398.557 4.382 20 0 GIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc(Br)o1 ZINC000056248668 823111921 /nfs/dbraw/zinc/11/19/21/823111921.db2.gz XVZMZONXANHCMW-UHFFFAOYSA-N -1 1 384.642 4.466 20 0 GIADMM COc1c(Cl)cccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000056286327 823121308 /nfs/dbraw/zinc/12/13/08/823121308.db2.gz XYAJBPGAPHAQGS-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1ncncc1Cl ZINC000176154026 823137725 /nfs/dbraw/zinc/13/77/25/823137725.db2.gz KPMVXBLMRUIMIQ-UHFFFAOYSA-N -1 1 398.300 4.180 20 0 GIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)cc21 ZINC000176162487 823139849 /nfs/dbraw/zinc/13/98/49/823139849.db2.gz NJAICMNGXSGYKH-UHFFFAOYSA-N -1 1 398.456 4.032 20 0 GIADMM CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ncccc1[O-] ZINC000121356137 823169520 /nfs/dbraw/zinc/16/95/20/823169520.db2.gz JNAMWJNTTNAFCG-UHFFFAOYSA-N -1 1 398.484 4.099 20 0 GIADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C2CC2)n1 ZINC000188054862 823178404 /nfs/dbraw/zinc/17/84/04/823178404.db2.gz BIUSAJLNAWGNFS-ZDUSSCGKSA-N -1 1 395.308 4.327 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000188105742 823187332 /nfs/dbraw/zinc/18/73/32/823187332.db2.gz PTSVUBWJKWAHPV-VIFPVBQESA-N -1 1 396.394 4.254 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000176432738 823206484 /nfs/dbraw/zinc/20/64/84/823206484.db2.gz LLTIXILXAIPRDR-UHFFFAOYSA-N -1 1 386.498 4.364 20 0 GIADMM Cc1c(=O)[n-]c(SCc2ccn(-c3ccccc3F)n2)nc1-c1ccccc1 ZINC000188254586 823209658 /nfs/dbraw/zinc/20/96/58/823209658.db2.gz RJNHIJBDYUHTLE-UHFFFAOYSA-N -1 1 392.459 4.362 20 0 GIADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000176521742 823228335 /nfs/dbraw/zinc/22/83/35/823228335.db2.gz NACYGLSVDMBXBA-ZFWWWQNUSA-N -1 1 384.530 4.074 20 0 GIADMM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000057125582 823251739 /nfs/dbraw/zinc/25/17/39/823251739.db2.gz GDGCQPZLPKYYJE-UHFFFAOYSA-N -1 1 398.509 4.046 20 0 GIADMM O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000176657949 823259425 /nfs/dbraw/zinc/25/94/25/823259425.db2.gz BEGVEBBVAIIKDI-UHFFFAOYSA-N -1 1 394.496 4.153 20 0 GIADMM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(Br)cc1 ZINC000003319735 817436103 /nfs/dbraw/zinc/43/61/03/817436103.db2.gz PTHFVGMUNSLKLH-UHFFFAOYSA-N -1 1 395.322 4.240 20 0 GIADMM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1Br ZINC000571975821 823264126 /nfs/dbraw/zinc/26/41/26/823264126.db2.gz JPUDOQIZCKPBIM-SFHVURJKSA-N -1 1 390.277 4.153 20 0 GIADMM O=C(C=Cc1ccccc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171381 817556901 /nfs/dbraw/zinc/55/69/01/817556901.db2.gz YTYKEMVBMMAJTP-VAWYXSNFSA-N -1 1 388.448 4.408 20 0 GIADMM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000005330075 817575288 /nfs/dbraw/zinc/57/52/88/817575288.db2.gz MFBSYAXGMIPTEL-UHFFFAOYSA-N -1 1 380.469 4.158 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000176724088 823278134 /nfs/dbraw/zinc/27/81/34/823278134.db2.gz VVUXDIOGTJNCEX-UHFFFAOYSA-N -1 1 390.411 4.048 20 0 GIADMM CC[C@H](C)Oc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000057300165 823276795 /nfs/dbraw/zinc/27/67/95/823276795.db2.gz IXDQRYCHDAVYJX-LBPRGKRZSA-N -1 1 388.518 4.485 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000007502007 817856604 /nfs/dbraw/zinc/85/66/04/817856604.db2.gz COQLIYKYHYWNNA-UHFFFAOYSA-N -1 1 397.481 4.066 20 0 GIADMM CCCNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000007517354 817859751 /nfs/dbraw/zinc/85/97/51/817859751.db2.gz ZFAJNLSOZNPRIS-UHFFFAOYSA-N -1 1 397.953 4.146 20 0 GIADMM O=C(C[C@H]1C=CCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000008028775 817985168 /nfs/dbraw/zinc/98/51/68/817985168.db2.gz CELGTXVDFOLOQW-ZDUSSCGKSA-N -1 1 392.427 4.060 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000008033574 817986773 /nfs/dbraw/zinc/98/67/73/817986773.db2.gz OHJKNJZSBYMCGI-BEFAXECRSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2)cc1F ZINC000008205657 818017968 /nfs/dbraw/zinc/01/79/68/818017968.db2.gz XMJMEWSWDOPTCL-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCOc1ccc([C@@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000010978693 818038393 /nfs/dbraw/zinc/03/83/93/818038393.db2.gz FOQKHLYMMKYJPX-OAHLLOKOSA-N -1 1 396.516 4.192 20 0 GIADMM COc1cc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000460200610 823314839 /nfs/dbraw/zinc/31/48/39/823314839.db2.gz ZOAFKDUGEVNXHE-JTQLQIEISA-N -1 1 398.684 4.178 20 0 GIADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000012068343 818139745 /nfs/dbraw/zinc/13/97/45/818139745.db2.gz PSXFWQDMJCTYES-UHFFFAOYSA-N -1 1 392.480 4.063 20 0 GIADMM COc1cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc(Cl)c1[O-] ZINC000460210481 823318125 /nfs/dbraw/zinc/31/81/25/823318125.db2.gz IEDWWSBSQHQOIS-SFHVURJKSA-N -1 1 389.879 4.268 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc3oc4ccccc4c3c2)c(=O)[n-]1 ZINC000012831522 818185290 /nfs/dbraw/zinc/18/52/90/818185290.db2.gz HNPLAPTXEYRLEA-UHFFFAOYSA-N -1 1 393.468 4.271 20 0 GIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000013339960 818209450 /nfs/dbraw/zinc/20/94/50/818209450.db2.gz XKHYWIGVPPLYTD-UHFFFAOYSA-N -1 1 393.820 4.154 20 0 GIADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000188904694 823326134 /nfs/dbraw/zinc/32/61/34/823326134.db2.gz CDNHJMTYSWCZKU-GFCCVEGCSA-N -1 1 387.860 4.002 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)c1 ZINC000015539709 818334904 /nfs/dbraw/zinc/33/49/04/818334904.db2.gz ZGSOJSKUSVBLKQ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(F)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000015626055 818349642 /nfs/dbraw/zinc/34/96/42/818349642.db2.gz POMXHCNJRFXMAR-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)C)cccc1C(=O)N1CCCC1 ZINC000188979372 823337392 /nfs/dbraw/zinc/33/73/92/823337392.db2.gz WIGOWBUHRGPTRS-UHFFFAOYSA-N -1 1 386.517 4.155 20 0 GIADMM O=S(=O)([N-]CC1CCC(F)(F)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000409885674 823335931 /nfs/dbraw/zinc/33/59/31/823335931.db2.gz IXVDZMFTVFVVKR-UHFFFAOYSA-N -1 1 391.789 4.463 20 0 GIADMM Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000016504771 818450695 /nfs/dbraw/zinc/45/06/95/818450695.db2.gz SKNNKAQQLCPMJS-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000017442782 818515282 /nfs/dbraw/zinc/51/52/82/818515282.db2.gz SNFFRMFZJQJJOD-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM O=C(C=Cc1cccs1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022116268 818773019 /nfs/dbraw/zinc/77/30/19/818773019.db2.gz OXPHQFRMIYYHAI-CMDGGOBGSA-N -1 1 394.477 4.470 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000022226717 818784354 /nfs/dbraw/zinc/78/43/54/818784354.db2.gz AHAIVMYLJKHIPU-SNVBAGLBSA-N -1 1 399.438 4.041 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n1 ZINC000022930824 818877696 /nfs/dbraw/zinc/87/76/96/818877696.db2.gz SZCTUCBZZFBREV-LBPRGKRZSA-N -1 1 379.913 4.112 20 0 GIADMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460405629 823378497 /nfs/dbraw/zinc/37/84/97/823378497.db2.gz ARMPAOYAWDKBCE-UHFFFAOYSA-N -1 1 393.411 4.293 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000023445088 818941739 /nfs/dbraw/zinc/94/17/39/818941739.db2.gz ZQCNKIHRRFIWOJ-INIZCTEOSA-N -1 1 380.517 4.226 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000460410572 823380254 /nfs/dbraw/zinc/38/02/54/823380254.db2.gz GXMWKTQEFCDAQN-UHFFFAOYSA-N -1 1 386.498 4.199 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1Cl ZINC000024250158 819039554 /nfs/dbraw/zinc/03/95/54/819039554.db2.gz YLVUDIGRPDCAMC-UHFFFAOYSA-N -1 1 381.759 4.048 20 0 GIADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2O1 ZINC000189253024 823381703 /nfs/dbraw/zinc/38/17/03/823381703.db2.gz NHGZHOYSCDCZPD-UHFFFAOYSA-N -1 1 387.379 4.100 20 0 GIADMM O=S(=O)([N-]c1ccc(-n2cccn2)cc1)c1ccccc1-c1ccccc1 ZINC000024577560 819074672 /nfs/dbraw/zinc/07/46/72/819074672.db2.gz WZPOXWUSJOYSJU-UHFFFAOYSA-N -1 1 375.453 4.340 20 0 GIADMM CSc1cc2c(cc1[N-]C(=O)c1oc(COC(C)(C)C)nc1C)OCCO2 ZINC000572726108 823389118 /nfs/dbraw/zinc/38/91/18/823389118.db2.gz JVVOQZXOEUAHCM-UHFFFAOYSA-N -1 1 392.477 4.044 20 0 GIADMM Cc1nc2ccc(CSc3n[n-]c(=NCc4ccc(F)cc4)s3)cc2[nH]1 ZINC000460435089 823388327 /nfs/dbraw/zinc/38/83/27/823388327.db2.gz ILBHSQCAFYXTPV-UHFFFAOYSA-N -1 1 385.493 4.188 20 0 GIADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(CC(F)(F)F)cc1 ZINC000189315885 823392508 /nfs/dbraw/zinc/39/25/08/823392508.db2.gz KEOFAPKPZWDNDI-UHFFFAOYSA-N -1 1 381.375 4.451 20 0 GIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000189323667 823394288 /nfs/dbraw/zinc/39/42/88/823394288.db2.gz FNZBFEFHTCWOMJ-UHFFFAOYSA-N -1 1 391.798 4.448 20 0 GIADMM COc1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1OC ZINC000460454064 823394620 /nfs/dbraw/zinc/39/46/20/823394620.db2.gz KUIQWOSVHFIMMT-UHFFFAOYSA-N -1 1 396.468 4.150 20 0 GIADMM Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(SCCC(=O)[O-])c1 ZINC000460454588 823394784 /nfs/dbraw/zinc/39/47/84/823394784.db2.gz WFCZEFSXVMJKHH-UHFFFAOYSA-N -1 1 385.894 4.016 20 0 GIADMM Cn1cc(-c2ncc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)s2)cn1 ZINC000122692465 823395823 /nfs/dbraw/zinc/39/58/23/823395823.db2.gz CYLHFUOWKIEXGC-UHFFFAOYSA-N -1 1 398.435 4.292 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N(C)C)c(C)c2)cc1 ZINC000024818324 819881371 /nfs/dbraw/zinc/88/13/71/819881371.db2.gz FEOPMSZNKDYEBS-UHFFFAOYSA-N -1 1 395.532 4.319 20 0 GIADMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000573028208 823436609 /nfs/dbraw/zinc/43/66/09/823436609.db2.gz JLDCCJPFWSYJGT-UHFFFAOYSA-N -1 1 376.869 4.049 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)CCC(C)C)cc1 ZINC000025348896 819967723 /nfs/dbraw/zinc/96/77/23/819967723.db2.gz CTNCCFVHJOGYDX-OAHLLOKOSA-N -1 1 390.553 4.337 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1Cl ZINC000025741212 820020604 /nfs/dbraw/zinc/02/06/04/820020604.db2.gz NRWKIHRMJKHNLT-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000026980238 820172134 /nfs/dbraw/zinc/17/21/34/820172134.db2.gz OJGPSFPXRKXPBE-PBHICJAKSA-N -1 1 388.537 4.091 20 0 GIADMM O=C(Nc1cc(F)cc(F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000027027975 820182540 /nfs/dbraw/zinc/18/25/40/820182540.db2.gz DVOGZRVMXKPSIH-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027338810 820227146 /nfs/dbraw/zinc/22/71/46/820227146.db2.gz MYVIJKQIUUIYMQ-HNNXBMFYSA-N -1 1 388.533 4.313 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)n[nH]3)c2)n1 ZINC000410326434 823464039 /nfs/dbraw/zinc/46/40/39/823464039.db2.gz DRCUAGVQPRGFJH-UHFFFAOYSA-N -1 1 396.497 4.309 20 0 GIADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000028260405 820321294 /nfs/dbraw/zinc/32/12/94/820321294.db2.gz COZLCJCYEQEWCR-UHFFFAOYSA-N -1 1 395.864 4.160 20 0 GIADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc(Br)c1F ZINC000410355099 823471786 /nfs/dbraw/zinc/47/17/86/823471786.db2.gz PZZHNXPPSWNKHF-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000028781749 820357365 /nfs/dbraw/zinc/35/73/65/820357365.db2.gz ABAORGKXXCINMV-DHZHZOJOSA-N -1 1 399.390 4.083 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nc(C)cc2C)cc1 ZINC000029044633 820386738 /nfs/dbraw/zinc/38/67/38/820386738.db2.gz JZDVKHVLIKBHNC-UHFFFAOYSA-N -1 1 385.489 4.079 20 0 GIADMM O=C(NCCCC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000029180185 820407791 /nfs/dbraw/zinc/40/77/91/820407791.db2.gz CWLKNMNSNAUDEY-UHFFFAOYSA-N -1 1 386.517 4.188 20 0 GIADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389410 820448366 /nfs/dbraw/zinc/44/83/66/820448366.db2.gz YAYQQHKICOYWJV-UHFFFAOYSA-N -1 1 387.774 4.161 20 0 GIADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410375382 823480277 /nfs/dbraw/zinc/48/02/77/823480277.db2.gz PCGOPFDTSWKNFW-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410386678 823483456 /nfs/dbraw/zinc/48/34/56/823483456.db2.gz XDKDIZODTXUDID-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030011865 820569003 /nfs/dbraw/zinc/56/90/03/820569003.db2.gz SDWSUEBWIJZCDI-UHFFFAOYSA-N -1 1 394.496 4.150 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000030016602 820570128 /nfs/dbraw/zinc/57/01/28/820570128.db2.gz OKOOVJJDTYCKQI-QAPCUYQASA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000030016603 820570231 /nfs/dbraw/zinc/57/02/31/820570231.db2.gz OKOOVJJDTYCKQI-YJBOKZPZSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000460719847 823494246 /nfs/dbraw/zinc/49/42/46/823494246.db2.gz OAPVBLCABIGHJR-FQEVSTJZSA-N -1 1 392.480 4.074 20 0 GIADMM O=S(=O)([N-]CCc1cccc2cccnc21)c1cc(Cl)sc1Cl ZINC000030442847 820617417 /nfs/dbraw/zinc/61/74/17/820617417.db2.gz OFGZYTIKHWEUJB-UHFFFAOYSA-N -1 1 387.313 4.124 20 0 GIADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410419122 823491638 /nfs/dbraw/zinc/49/16/38/823491638.db2.gz OKFGYTGMWMBDFA-UHFFFAOYSA-N -1 1 394.299 4.403 20 0 GIADMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000030530167 820633200 /nfs/dbraw/zinc/63/32/00/820633200.db2.gz PHBQZQDFHGABQU-UHFFFAOYSA-N -1 1 396.515 4.183 20 0 GIADMM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl ZINC000030532216 820634139 /nfs/dbraw/zinc/63/41/39/820634139.db2.gz RPFCMMFZXKMOJI-UHFFFAOYSA-N -1 1 396.852 4.022 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000031407226 820806061 /nfs/dbraw/zinc/80/60/61/820806061.db2.gz INMZWJSGWJKIOO-AWEZNQCLSA-N -1 1 390.553 4.289 20 0 GIADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000031721598 820850764 /nfs/dbraw/zinc/85/07/64/820850764.db2.gz HNXHXDFQIFBBII-UHFFFAOYSA-N -1 1 391.445 4.142 20 0 GIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c1C ZINC000031722567 820851689 /nfs/dbraw/zinc/85/16/89/820851689.db2.gz BKEJQJRCNMXCCA-UHFFFAOYSA-N -1 1 384.295 4.184 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000032379911 820929212 /nfs/dbraw/zinc/92/92/12/820929212.db2.gz LYSSNTIGMBQCID-HXUWFJFHSA-N -1 1 399.560 4.171 20 0 GIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000032627668 820979422 /nfs/dbraw/zinc/97/94/22/820979422.db2.gz FZZOWXNFOSYXLK-UHFFFAOYSA-N -1 1 394.924 4.240 20 0 GIADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000032631961 820981066 /nfs/dbraw/zinc/98/10/66/820981066.db2.gz UHMBNEYDKMTDIJ-UHFFFAOYSA-N -1 1 386.517 4.203 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)c1 ZINC000032631340 820981153 /nfs/dbraw/zinc/98/11/53/820981153.db2.gz KTPDMDHSMYHAHQ-JOCHJYFZSA-N -1 1 390.464 4.345 20 0 GIADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(Cl)cc1C(F)(F)F ZINC000189979807 823520904 /nfs/dbraw/zinc/52/09/04/823520904.db2.gz WCOVGXVWWOYUAE-UHFFFAOYSA-N -1 1 395.562 4.474 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033181527 821044269 /nfs/dbraw/zinc/04/42/69/821044269.db2.gz VWXWAXPTJSYFAN-APWZRJJASA-N -1 1 386.517 4.104 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1F ZINC000460831512 823524532 /nfs/dbraw/zinc/52/45/32/823524532.db2.gz WBULHHVGFUUMJQ-UHFFFAOYSA-N -1 1 383.416 4.096 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000037408666 821092133 /nfs/dbraw/zinc/09/21/33/821092133.db2.gz WGNGSXVAFLRJLF-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1Cl ZINC000060417615 823525365 /nfs/dbraw/zinc/52/53/65/823525365.db2.gz AHOOMOIAZHRFCO-UHFFFAOYSA-N -1 1 398.721 4.207 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000039548975 821112640 /nfs/dbraw/zinc/11/26/40/821112640.db2.gz XYPSWBPHVVJDCF-UHFFFAOYSA-N -1 1 384.408 4.327 20 0 GIADMM CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040494504 821161359 /nfs/dbraw/zinc/16/13/59/821161359.db2.gz HZBWUUFXUJQBHZ-UHFFFAOYSA-N -1 1 375.115 4.080 20 0 GIADMM CCSCc1ccnc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000123725545 823535129 /nfs/dbraw/zinc/53/51/29/823535129.db2.gz YYOHFONDDDXPIP-UHFFFAOYSA-N -1 1 390.452 4.295 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1c(Cl)cccc1Cl ZINC000060521184 823538138 /nfs/dbraw/zinc/53/81/38/823538138.db2.gz OOIVEQNJEAQHOU-UHFFFAOYSA-N -1 1 394.258 4.035 20 0 GIADMM O=C(CCc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042653805 821320020 /nfs/dbraw/zinc/32/00/20/821320020.db2.gz YMRSEXBBOLLQMM-UHFFFAOYSA-N -1 1 398.459 4.198 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180717333 821415569 /nfs/dbraw/zinc/41/55/69/821415569.db2.gz LDJYKYJLWASMKH-MRXNPFEDSA-N -1 1 385.769 4.278 20 0 GIADMM CN(C)c1nc2sc(C(=O)[N-]c3nc(-c4cccs4)ns3)cc2s1 ZINC000182123668 822104281 /nfs/dbraw/zinc/10/42/81/822104281.db2.gz YGMYMQNMAHIFSB-UHFFFAOYSA-N -1 1 393.544 4.256 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c2ccccc12 ZINC000182305900 822195984 /nfs/dbraw/zinc/19/59/84/822195984.db2.gz SJROKRXRPKLIBV-UHFFFAOYSA-N -1 1 398.484 4.386 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182873297 822383466 /nfs/dbraw/zinc/38/34/66/822383466.db2.gz ZKLUCGXOZZTAAK-QMMMGPOBSA-N -1 1 375.778 4.163 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2coc(Br)c2)c1 ZINC000182909963 822390889 /nfs/dbraw/zinc/39/08/89/822390889.db2.gz NCHCEOODVGWIRD-UHFFFAOYSA-N -1 1 375.016 4.071 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2sccc2OC(F)F)c1 ZINC000182929664 822394907 /nfs/dbraw/zinc/39/49/07/822394907.db2.gz HJHLDWULTDQOPR-UHFFFAOYSA-N -1 1 378.194 4.378 20 0 GIADMM Cc1nc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C)s1 ZINC000178752453 822407329 /nfs/dbraw/zinc/40/73/29/822407329.db2.gz LLRCAJHXYZFGHY-UHFFFAOYSA-N -1 1 397.481 4.082 20 0 GIADMM COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cc1OC(F)F ZINC000046267897 822457114 /nfs/dbraw/zinc/45/71/14/822457114.db2.gz AVYBBURXPNYSHY-UHFFFAOYSA-N -1 1 387.382 4.428 20 0 GIADMM O=c1nc(C(Cl)=Cc2ccc([O-])c(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000179320246 822465724 /nfs/dbraw/zinc/46/57/24/822465724.db2.gz SPPUWQBLQJVVNJ-XFFZJAGNSA-N -1 1 376.840 4.445 20 0 GIADMM C[C@H](CN(C)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nn[n-]n1 ZINC000183428707 822473822 /nfs/dbraw/zinc/47/38/22/822473822.db2.gz HAVYWZNPSUDVLA-SECBINFHSA-N -1 1 396.303 4.111 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C(C)C)c1 ZINC000179411106 822478812 /nfs/dbraw/zinc/47/88/12/822478812.db2.gz BEGYEYYZDJEDBV-UHFFFAOYSA-N -1 1 379.416 4.317 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)ccc1F ZINC000046588380 822488925 /nfs/dbraw/zinc/48/89/25/822488925.db2.gz WPGKXHLWNREAQH-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611899 822492227 /nfs/dbraw/zinc/49/22/27/822492227.db2.gz LOCNJONKNMJYAV-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000046799915 822518689 /nfs/dbraw/zinc/51/86/89/822518689.db2.gz XANYCQQGLPEMNB-INIZCTEOSA-N -1 1 391.924 4.162 20 0 GIADMM O=C(NC[C@H]1CCCc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000046938421 822533036 /nfs/dbraw/zinc/53/30/36/822533036.db2.gz LVKOBXOGBCAMMB-HXUWFJFHSA-N -1 1 392.499 4.117 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000179778152 822551013 /nfs/dbraw/zinc/55/10/13/822551013.db2.gz WVQSWZIHLXFYHT-GDBMZVCRSA-N -1 1 394.309 4.299 20 0 GIADMM N#C[C@H](C(=O)CCCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362756 822570811 /nfs/dbraw/zinc/57/08/11/822570811.db2.gz WTFAMWICHLDPIY-CQSZACIVSA-N -1 1 397.525 4.124 20 0 GIADMM C[C@H]1CC=C(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000455388473 822645065 /nfs/dbraw/zinc/64/50/65/822645065.db2.gz VDFTVELULQPYCX-KRWDZBQOSA-N -1 1 398.528 4.192 20 0 GIADMM Cc1nc(-c2ccccc2)sc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000184504699 822646934 /nfs/dbraw/zinc/64/69/34/822646934.db2.gz QZOAYGAWOSSINH-UHFFFAOYSA-N -1 1 382.489 4.060 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000048231594 822647309 /nfs/dbraw/zinc/64/73/09/822647309.db2.gz RCVAQXJCSLFNSW-UHFFFAOYSA-N -1 1 393.468 4.091 20 0 GIADMM Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc2)co1 ZINC000184531909 822652056 /nfs/dbraw/zinc/65/20/56/822652056.db2.gz VSYMPHSCGWHRIT-UHFFFAOYSA-N -1 1 399.255 4.463 20 0 GIADMM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccccc2)cs1 ZINC000184532607 822652369 /nfs/dbraw/zinc/65/23/69/822652369.db2.gz ARISERVWVDSILK-ZDUSSCGKSA-N -1 1 378.453 4.473 20 0 GIADMM CCn1c2ccccc2c(C(=O)CN2CCC(C(=O)[O-])CC2)c1-c1ccccc1 ZINC000455639357 822688965 /nfs/dbraw/zinc/68/89/65/822688965.db2.gz HNTNVSKICMFYQN-UHFFFAOYSA-N -1 1 390.483 4.308 20 0 GIADMM O=C(Nc1ccc([O-])c(-c2nc(Cc3ccccc3)no2)c1)OCC(F)(F)F ZINC000184837599 822697931 /nfs/dbraw/zinc/69/79/31/822697931.db2.gz OKHLAJUJWBIBTL-UHFFFAOYSA-N -1 1 393.321 4.144 20 0 GIADMM COc1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c([O-])c1 ZINC000184853207 822700624 /nfs/dbraw/zinc/70/06/24/822700624.db2.gz LDIWLKLMGLRTFT-UHFFFAOYSA-N -1 1 375.384 4.092 20 0 GIADMM Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000050178398 822721213 /nfs/dbraw/zinc/72/12/13/822721213.db2.gz WAHCCVPTNKYEPZ-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3CC[C@@H]3C)c2)c1 ZINC000455777597 822724924 /nfs/dbraw/zinc/72/49/24/822724924.db2.gz DGMUVXPMSRPFHX-KBXCAEBGSA-N -1 1 387.505 4.024 20 0 GIADMM Cc1c(=O)[n-]c(SCc2noc(-c3ccsc3)n2)nc1-c1ccccc1 ZINC000185056233 822730106 /nfs/dbraw/zinc/73/01/06/822730106.db2.gz YPAXOLPDIULMCK-UHFFFAOYSA-N -1 1 382.470 4.149 20 0 GIADMM CCN(C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)C1CC1 ZINC000455808984 822730281 /nfs/dbraw/zinc/73/02/81/822730281.db2.gz ZEDBSFNVCYGFNY-UHFFFAOYSA-N -1 1 387.505 4.120 20 0 GIADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000050530816 822732830 /nfs/dbraw/zinc/73/28/30/822732830.db2.gz FGOOUZINQOMOQJ-UHFFFAOYSA-N -1 1 393.411 4.220 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1c[nH]c2cccc(F)c21 ZINC000185165706 822744824 /nfs/dbraw/zinc/74/48/24/822744824.db2.gz ILESTECXSBNZPT-UHFFFAOYSA-N -1 1 387.205 4.009 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(SCc2ccccc2)cc1 ZINC000051266600 822752972 /nfs/dbraw/zinc/75/29/72/822752972.db2.gz YFMHJWFQYKADEZ-UHFFFAOYSA-N -1 1 378.379 4.368 20 0 GIADMM CCSCC[C@@H](C)N(C)C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000174349877 822776430 /nfs/dbraw/zinc/77/64/30/822776430.db2.gz BBWMTWZFJUZEQS-GFCCVEGCSA-N -1 1 398.985 4.251 20 0 GIADMM Cc1cc(C(=O)N[N-]C(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc2n1 ZINC000052854471 822813043 /nfs/dbraw/zinc/81/30/43/822813043.db2.gz TXZNIHSFZNUPFD-UHFFFAOYSA-N -1 1 392.217 4.064 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)cc1 ZINC000174772869 822835199 /nfs/dbraw/zinc/83/51/99/822835199.db2.gz AFYSXAPKCDKBKC-AWEZNQCLSA-N -1 1 388.489 4.266 20 0 GIADMM C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cc(Br)cc(F)c1[O-] ZINC000186249033 822864806 /nfs/dbraw/zinc/86/48/06/822864806.db2.gz RBBGOTILGFEPAP-RKDXNWHRSA-N -1 1 395.228 4.186 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c1 ZINC000569045417 822872939 /nfs/dbraw/zinc/87/29/39/822872939.db2.gz HRZVDOZOTDLQEC-UHFFFAOYSA-N -1 1 388.272 4.143 20 0 GIADMM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Oc1cccnc1 ZINC000175055990 822874980 /nfs/dbraw/zinc/87/49/80/822874980.db2.gz JPCPZSVFVNOZOQ-UHFFFAOYSA-N -1 1 392.459 4.124 20 0 GIADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000457451867 822876352 /nfs/dbraw/zinc/87/63/52/822876352.db2.gz RUIJNDKIRJWDFX-AWEZNQCLSA-N -1 1 396.459 4.416 20 0 GIADMM C[C@H](Nc1cnn(Cc2ccccn2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186390467 822886507 /nfs/dbraw/zinc/88/65/07/822886507.db2.gz YKSZAPMHYJHXHR-NSHDSACASA-N -1 1 391.244 4.107 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3C)ccc2C)c1 ZINC000175181780 822899359 /nfs/dbraw/zinc/89/93/59/822899359.db2.gz GWQISEDIJAKQCH-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000186494838 822904687 /nfs/dbraw/zinc/90/46/87/822904687.db2.gz PTUGTQXKFMXILX-UHFFFAOYSA-N -1 1 395.786 4.177 20 0 GIADMM Cc1ccc(OC2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)CC2)cc1 ZINC000569347625 822910027 /nfs/dbraw/zinc/91/00/27/822910027.db2.gz JOMFJPPHBRDYSK-UHFFFAOYSA-N -1 1 389.879 4.269 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000569379924 822913525 /nfs/dbraw/zinc/91/35/25/822913525.db2.gz WAJYQKXOIFTEJG-JTQLQIEISA-N -1 1 385.411 4.191 20 0 GIADMM CCOc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)cc(Cl)c1[O-] ZINC000186566322 822914343 /nfs/dbraw/zinc/91/43/43/822914343.db2.gz UVABXOMOYTUPFU-UHFFFAOYSA-N -1 1 375.808 4.473 20 0 GIADMM CCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(Cl)c1[O-] ZINC000186585393 822917839 /nfs/dbraw/zinc/91/78/39/822917839.db2.gz ZLGNPJHCBXUGSU-UHFFFAOYSA-N -1 1 376.840 4.291 20 0 GIADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000055111112 822939133 /nfs/dbraw/zinc/93/91/33/822939133.db2.gz LYFVVEYOPQUUQV-CHWSQXEVSA-N -1 1 388.414 4.041 20 0 GIADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000055111110 822939200 /nfs/dbraw/zinc/93/92/00/822939200.db2.gz LYFVVEYOPQUUQV-BETUJISGSA-N -1 1 388.414 4.041 20 0 GIADMM O=C(Nc1ccc(C(=O)N2CCc3ccccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC000055185864 822944414 /nfs/dbraw/zinc/94/44/14/822944414.db2.gz PQTXMSVUNVPEJC-UHFFFAOYSA-N -1 1 394.377 4.126 20 0 GIADMM CCOc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc(Cl)c1[O-] ZINC000186779552 822954233 /nfs/dbraw/zinc/95/42/33/822954233.db2.gz RDDYTVILFCMYEO-LJQANCHMSA-N -1 1 382.847 4.359 20 0 GIADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1=CCCCCC1 ZINC000569830824 822974033 /nfs/dbraw/zinc/97/40/33/822974033.db2.gz XUKKTCHBLCIGHW-UHFFFAOYSA-N -1 1 398.528 4.336 20 0 GIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc4c5c(cccc53)CC4)ccc2N1 ZINC000055576988 822981421 /nfs/dbraw/zinc/98/14/21/822981421.db2.gz BGOJKJKXYOLAIS-UHFFFAOYSA-N -1 1 392.480 4.014 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000055595542 822985216 /nfs/dbraw/zinc/98/52/16/822985216.db2.gz WSYFYSZVLKRURD-UHFFFAOYSA-N -1 1 398.406 4.163 20 0 GIADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000569956817 822989684 /nfs/dbraw/zinc/98/96/84/822989684.db2.gz XHXTZOMXEAUQHN-UHFFFAOYSA-N -1 1 375.453 4.406 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633060 822990199 /nfs/dbraw/zinc/99/01/99/822990199.db2.gz ZGEDUSPNOYWNMG-UHFFFAOYSA-N -1 1 375.421 4.245 20 0 GIADMM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186977802 822991040 /nfs/dbraw/zinc/99/10/40/822991040.db2.gz KKSAXPJYYFTOLM-UHFFFAOYSA-N -1 1 381.400 4.162 20 0 GIADMM CCOc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000186986530 822992832 /nfs/dbraw/zinc/99/28/32/822992832.db2.gz HBSVCHFDYVYJCW-YJBOKZPZSA-N -1 1 396.270 4.358 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCc3cc(C)ccc32)cc1 ZINC000055661106 822995402 /nfs/dbraw/zinc/99/54/02/822995402.db2.gz BKHYLQFMXWGLKJ-IBGZPJMESA-N -1 1 392.528 4.418 20 0 GIADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1Cl ZINC000055677432 822997160 /nfs/dbraw/zinc/99/71/60/822997160.db2.gz LYNPVZIJBVKWEE-UHFFFAOYSA-N -1 1 394.924 4.043 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000570135781 823009153 /nfs/dbraw/zinc/00/91/53/823009153.db2.gz YHMXWTHCJFNJNA-BLLLJJGKSA-N -1 1 387.436 4.108 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)[n-]c(=O)c1C ZINC000570293474 823023070 /nfs/dbraw/zinc/02/30/70/823023070.db2.gz PSJIDBMPBYQSKN-NSHDSACASA-N -1 1 395.912 4.143 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000060554317 823541750 /nfs/dbraw/zinc/54/17/50/823541750.db2.gz IZJXRLZFBAMHAO-UHFFFAOYSA-N -1 1 386.285 4.313 20 0 GIADMM C[C@@H]1CCSCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000411622809 823591766 /nfs/dbraw/zinc/59/17/66/823591766.db2.gz GZFJZSVQJUUVBG-GFCCVEGCSA-N -1 1 389.521 4.118 20 0 GIADMM O=C(C[C@@H]1C=CCC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000061470894 823599335 /nfs/dbraw/zinc/59/93/35/823599335.db2.gz XLWFLGLJPKZLKH-CQSZACIVSA-N -1 1 390.892 4.436 20 0 GIADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412284911 823642837 /nfs/dbraw/zinc/64/28/37/823642837.db2.gz DZGFMCFQSZAJBO-FUXBKTLASA-N -1 1 377.076 4.292 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1F ZINC000190793898 823609758 /nfs/dbraw/zinc/60/97/58/823609758.db2.gz FZGAEAODTQCNCX-UHFFFAOYSA-N -1 1 377.359 4.130 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000190921938 823624934 /nfs/dbraw/zinc/62/49/34/823624934.db2.gz DCMNDNDYWKUHSC-UHFFFAOYSA-N -1 1 382.247 4.180 20 0 GIADMM CSCC(C)(C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412293841 823643702 /nfs/dbraw/zinc/64/37/02/823643702.db2.gz SUDBNUARPHUPRL-UHFFFAOYSA-N -1 1 397.132 4.245 20 0 GIADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc([O-])c(Br)cc1Br ZINC000412294896 823643846 /nfs/dbraw/zinc/64/38/46/823643846.db2.gz XFPPEGDQJJBTHU-XHNCKOQMSA-N -1 1 389.087 4.292 20 0 GIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000063147358 823653023 /nfs/dbraw/zinc/65/30/23/823653023.db2.gz MIBVXKCLDQMIQF-UHFFFAOYSA-N -1 1 382.413 4.104 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000063443901 823671735 /nfs/dbraw/zinc/67/17/35/823671735.db2.gz VGHFIOOHWXFBRL-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000063444084 823671914 /nfs/dbraw/zinc/67/19/14/823671914.db2.gz HFCUALGYYIUSJI-UHFFFAOYSA-N -1 1 380.897 4.397 20 0 GIADMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc21 ZINC000063476056 823674935 /nfs/dbraw/zinc/67/49/35/823674935.db2.gz OJELXPFNBUMKCT-UHFFFAOYSA-N -1 1 396.468 4.205 20 0 GIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000125563479 823685602 /nfs/dbraw/zinc/68/56/02/823685602.db2.gz HNUFAIGWEPLXQV-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM CCC/C=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063662925 823687523 /nfs/dbraw/zinc/68/75/23/823687523.db2.gz VNRSPZLLMGTHJI-SNAWJCMRSA-N -1 1 380.416 4.060 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000063701135 823690161 /nfs/dbraw/zinc/69/01/61/823690161.db2.gz YGKRTMRGUIUASI-ZWKOTPCHSA-N -1 1 396.491 4.118 20 0 GIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 ZINC000063767350 823694368 /nfs/dbraw/zinc/69/43/68/823694368.db2.gz IILMITXFDMIRFQ-UHFFFAOYSA-N -1 1 396.896 4.059 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000063878421 823704797 /nfs/dbraw/zinc/70/47/97/823704797.db2.gz GTOCGZYNORHCAM-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)s2)c1 ZINC000125786902 823710365 /nfs/dbraw/zinc/71/03/65/823710365.db2.gz LIRQQCMGLAKJFH-ZDUSSCGKSA-N -1 1 386.502 4.382 20 0 GIADMM CCc1nc(SCC(=O)N[C@H](c2cccs2)c2ccccc2)[n-]c(=O)c1C ZINC000574532921 823756945 /nfs/dbraw/zinc/75/69/45/823756945.db2.gz WEZFNXSATSJCAY-SFHVURJKSA-N -1 1 399.541 4.112 20 0 GIADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000574613666 823781922 /nfs/dbraw/zinc/78/19/22/823781922.db2.gz QTQHAJLKTCQGQW-UHFFFAOYSA-N -1 1 383.897 4.212 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000064312477 823789463 /nfs/dbraw/zinc/78/94/63/823789463.db2.gz YXUYFJTWGVNEGW-HNNXBMFYSA-N -1 1 390.505 4.268 20 0 GIADMM N#Cc1c([N-]C(=O)c2nc(Br)cs2)sc2c1CCCCC2 ZINC000191839781 823792711 /nfs/dbraw/zinc/79/27/11/823792711.db2.gz VWYUKVLIBDEFNQ-UHFFFAOYSA-N -1 1 382.308 4.360 20 0 GIADMM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000574717741 823807598 /nfs/dbraw/zinc/80/75/98/823807598.db2.gz FQFKDUHEPGDGJB-UHFFFAOYSA-N -1 1 394.443 4.097 20 0 GIADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413875598 823854730 /nfs/dbraw/zinc/85/47/30/823854730.db2.gz BQPQXLCGDCKXBF-UHFFFAOYSA-N -1 1 394.393 4.216 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc(-c4cccnc4)on3)s2)c(C)c1 ZINC000065085491 823939207 /nfs/dbraw/zinc/93/92/07/823939207.db2.gz UHPHNNBSQNHPEV-UHFFFAOYSA-N -1 1 377.429 4.124 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1SC ZINC000414387270 823970838 /nfs/dbraw/zinc/97/08/38/823970838.db2.gz IRGAOBBBYVHLML-UHFFFAOYSA-N -1 1 391.518 4.149 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)(F)F)C2)c1cccc(Cl)c1 ZINC000414386629 823970962 /nfs/dbraw/zinc/97/09/62/823970962.db2.gz HKFHGPSYUVIEGY-UHFFFAOYSA-N -1 1 390.814 4.019 20 0 GIADMM CC[C@@H](Cc1ccccc1)NC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000170810805 823977448 /nfs/dbraw/zinc/97/74/48/823977448.db2.gz TXDVGDOUVJHNME-IBGZPJMESA-N -1 1 394.544 4.444 20 0 GIADMM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000127001675 823998117 /nfs/dbraw/zinc/99/81/17/823998117.db2.gz RKIOOCOMGDVVCV-LLVKDONJSA-N -1 1 385.411 4.246 20 0 GIADMM Cc1ccc2cccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccs3)c2n1 ZINC000171013567 824037102 /nfs/dbraw/zinc/03/71/02/824037102.db2.gz KGTOZCCJUAMHIG-UHFFFAOYSA-N -1 1 381.486 4.165 20 0 GIADMM Cc1cc(C)c2c(c1)N(C(=O)Cn1c(=S)[n-]nc1-c1cccs1)CCC2 ZINC000171014930 824037969 /nfs/dbraw/zinc/03/79/69/824037969.db2.gz QQQNJMLKJHFFQT-UHFFFAOYSA-N -1 1 384.530 4.265 20 0 GIADMM Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006981473 212070800 /nfs/dbraw/zinc/07/08/00/212070800.db2.gz CXKNENAXVVNJAE-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000005204127 212065264 /nfs/dbraw/zinc/06/52/64/212065264.db2.gz QDCHMQPXXOEURU-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000097091269 211356402 /nfs/dbraw/zinc/35/64/02/211356402.db2.gz MTFLSBAACCCPRD-UHFFFAOYSA-N -1 1 377.444 4.420 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)cc2C[C@@H]1C ZINC000570494321 823046084 /nfs/dbraw/zinc/04/60/84/823046084.db2.gz XXSLWFPLVPDVHH-AWEZNQCLSA-N -1 1 384.501 4.052 20 0 GIADMM Cc1ccc(-c2ocnc2C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000175826014 823048947 /nfs/dbraw/zinc/04/89/47/823048947.db2.gz CVTLJDWCXKWVIX-UHFFFAOYSA-N -1 1 393.834 4.196 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc2[nH]ccc21 ZINC000176016703 823096685 /nfs/dbraw/zinc/09/66/85/823096685.db2.gz YUHIFBWDJHQATC-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccccc3[C@@H]2C)c1 ZINC000176249137 823162916 /nfs/dbraw/zinc/16/29/16/823162916.db2.gz VVICQAQUYFEYNO-INIZCTEOSA-N -1 1 392.528 4.452 20 0 GIADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(OCc2cccnc2)cc1 ZINC000571327998 823166085 /nfs/dbraw/zinc/16/60/85/823166085.db2.gz GZURPIWUOPRVTF-ZDUSSCGKSA-N -1 1 384.382 4.135 20 0 GIADMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C2CC2)s1 ZINC000188055337 823178797 /nfs/dbraw/zinc/17/87/97/823178797.db2.gz NVRRWAPWRHNRPD-ZDUSSCGKSA-N -1 1 395.308 4.327 20 0 GIADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000188091296 823184865 /nfs/dbraw/zinc/18/48/65/823184865.db2.gz ZLFOQESLWXQMIH-FQEVSTJZSA-N -1 1 393.512 4.421 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000571465868 823186798 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20 0 GIADMM CCCN(CCC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000003229795 817424997 /nfs/dbraw/zinc/42/49/97/817424997.db2.gz DNWJUWNEIAUHSC-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM CCc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000004945275 817542249 /nfs/dbraw/zinc/54/22/49/817542249.db2.gz CNTBUKFDYUZJOQ-UHFFFAOYSA-N -1 1 395.509 4.254 20 0 GIADMM CCS[C@H]1CCC[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000176726686 823278932 /nfs/dbraw/zinc/27/89/32/823278932.db2.gz FHLJADTWLURSHP-HOTGVXAUSA-N -1 1 390.578 4.097 20 0 GIADMM O=c1cc(CSc2ncnc3sc4c(c32)CCC4)c2ccc([O-])cc2o1 ZINC000006112551 817656854 /nfs/dbraw/zinc/65/68/54/817656854.db2.gz RBIOAJZSRCDTAZ-UHFFFAOYSA-N -1 1 382.466 4.284 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000006176966 817666168 /nfs/dbraw/zinc/66/61/68/817666168.db2.gz DIHBXPRNAHMUQN-UHFFFAOYSA-N -1 1 386.517 4.120 20 0 GIADMM O=C(CN1CCC(C(=O)c2ccc([O-])cc2)CC1)Nc1cccc2ccccc21 ZINC000121946730 823282585 /nfs/dbraw/zinc/28/25/85/823282585.db2.gz AFJXOCHYIKJWEK-UHFFFAOYSA-N -1 1 388.467 4.079 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000007052588 817748115 /nfs/dbraw/zinc/74/81/15/817748115.db2.gz PFBKKQZQVZBLBI-UHFFFAOYSA-N -1 1 380.185 4.269 20 0 GIADMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(OC(F)(F)F)cc1 ZINC000007052620 817748221 /nfs/dbraw/zinc/74/82/21/817748221.db2.gz GMDRZOWGPOQKFA-UHFFFAOYSA-N -1 1 396.184 4.149 20 0 GIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000057379342 823285134 /nfs/dbraw/zinc/28/51/34/823285134.db2.gz WLGNGOAEPRJFCV-UHFFFAOYSA-N -1 1 396.459 4.028 20 0 GIADMM O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc([O-])cc1 ZINC000007361726 817824239 /nfs/dbraw/zinc/82/42/39/817824239.db2.gz QGOHIDMZSHDTMQ-UHFFFAOYSA-N -1 1 380.469 4.192 20 0 GIADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000007362334 817824597 /nfs/dbraw/zinc/82/45/97/817824597.db2.gz GUZXSPOGVFSFSI-UHFFFAOYSA-N -1 1 380.897 4.224 20 0 GIADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000057411285 823292772 /nfs/dbraw/zinc/29/27/72/823292772.db2.gz QFWCIWKMUDLTFL-UHFFFAOYSA-N -1 1 399.468 4.180 20 0 GIADMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(-c2ccc(F)cc2)on1 ZINC000122015565 823293581 /nfs/dbraw/zinc/29/35/81/823293581.db2.gz XHRUHMLSWPAFOX-UHFFFAOYSA-N -1 1 397.797 4.026 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=S)NC(C)C ZINC000007527746 817862348 /nfs/dbraw/zinc/86/23/48/817862348.db2.gz PEJLQYYWSVKBBW-UHFFFAOYSA-N -1 1 397.953 4.144 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=S)NC(C)C ZINC000007528135 817862408 /nfs/dbraw/zinc/86/24/08/817862408.db2.gz BZLUBACSUPZZME-UHFFFAOYSA-N -1 1 397.953 4.144 20 0 GIADMM Cn1cnnc1Sc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000122024388 823294809 /nfs/dbraw/zinc/29/48/09/823294809.db2.gz UAVUUJYNUBTVOH-UHFFFAOYSA-N -1 1 376.441 4.077 20 0 GIADMM CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007620704 817881178 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GIADMM COc1cc(C(=O)NCc2ccccc2OC2CCCC2)cc(Cl)c1[O-] ZINC000460184225 823308923 /nfs/dbraw/zinc/30/89/23/823308923.db2.gz OQOOYPNKJMJHDC-UHFFFAOYSA-N -1 1 375.852 4.306 20 0 GIADMM COc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000460182675 823308401 /nfs/dbraw/zinc/30/84/01/823308401.db2.gz FRCYUTSRXMGVQS-CQSZACIVSA-N -1 1 391.851 4.254 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000011427473 818080575 /nfs/dbraw/zinc/08/05/75/818080575.db2.gz KYWNYBLEEPJLDY-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000011593896 818097561 /nfs/dbraw/zinc/09/75/61/818097561.db2.gz VKJYOTGSCPUXBN-UHFFFAOYSA-N -1 1 386.452 4.174 20 0 GIADMM COc1cc(C(=O)NC2(c3cccc(Br)c3)CC2)cc(Cl)c1[O-] ZINC000460195930 823312873 /nfs/dbraw/zinc/31/28/73/823312873.db2.gz UXEFHMGOIBYKOH-UHFFFAOYSA-N -1 1 396.668 4.236 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000011869366 818125551 /nfs/dbraw/zinc/12/55/51/818125551.db2.gz QNYMFRSGROTLFR-UHFFFAOYSA-N -1 1 382.489 4.378 20 0 GIADMM CCCc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000011870345 818125619 /nfs/dbraw/zinc/12/56/19/818125619.db2.gz BMAQAYYWEKSVAF-UHFFFAOYSA-N -1 1 382.489 4.207 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cccc1C(F)(F)F ZINC000122220738 823323305 /nfs/dbraw/zinc/32/33/05/823323305.db2.gz OOGDHYJMZMNNQG-UHFFFAOYSA-N -1 1 398.406 4.044 20 0 GIADMM C[C@H](c1ccccc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000015626075 818349769 /nfs/dbraw/zinc/34/97/69/818349769.db2.gz AIUZIMVVRVLRCJ-QGZVFWFLSA-N -1 1 394.496 4.321 20 0 GIADMM C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015796662 818367713 /nfs/dbraw/zinc/36/77/13/818367713.db2.gz GBDYAUPECAXLGY-CQSZACIVSA-N -1 1 392.908 4.155 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000017305430 818506392 /nfs/dbraw/zinc/50/63/92/818506392.db2.gz VXBXORBCBZYHJC-UHFFFAOYSA-N -1 1 396.560 4.391 20 0 GIADMM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000017322625 818509742 /nfs/dbraw/zinc/50/97/42/818509742.db2.gz HTJCNXWTUKAMCK-UHFFFAOYSA-N -1 1 398.887 4.200 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2C)cc1 ZINC000018106854 818546458 /nfs/dbraw/zinc/54/64/58/818546458.db2.gz NTDGVHRTKORAMJ-UHFFFAOYSA-N -1 1 396.516 4.021 20 0 GIADMM CC[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)Cc1cccc(Br)c1 ZINC000572527015 823354641 /nfs/dbraw/zinc/35/46/41/823354641.db2.gz SKYDUZSHRLGYRL-LLVKDONJSA-N -1 1 398.247 4.432 20 0 GIADMM CCCN(CCC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000021221141 818665957 /nfs/dbraw/zinc/66/59/57/818665957.db2.gz VCSADLAMXCIWPD-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1C ZINC000021781480 818737264 /nfs/dbraw/zinc/73/72/64/818737264.db2.gz LWSKUXQFVZCURM-JXXFODFXSA-N -1 1 386.517 4.042 20 0 GIADMM Cc1oc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000058142900 823364671 /nfs/dbraw/zinc/36/46/71/823364671.db2.gz VIEAVGSCNLPVCY-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM CN(CCOc1ccc(Cl)cc1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058204994 823368317 /nfs/dbraw/zinc/36/83/17/823368317.db2.gz JHZQWQROLORWAO-UHFFFAOYSA-N -1 1 394.953 4.215 20 0 GIADMM C[C@H]1CN(Cn2c(=S)[n-]nc2Cc2cccs2)C[C@@H](c2ccccc2)O1 ZINC000058206369 823368519 /nfs/dbraw/zinc/36/85/19/823368519.db2.gz JMVUFGQODHGWSQ-YOEHRIQHSA-N -1 1 386.546 4.012 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)n1 ZINC000022930827 818877632 /nfs/dbraw/zinc/87/76/32/818877632.db2.gz SZCTUCBZZFBREV-GFCCVEGCSA-N -1 1 379.913 4.112 20 0 GIADMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000122551479 823370887 /nfs/dbraw/zinc/37/08/87/823370887.db2.gz WEZSIZRYGVPDIK-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000460413653 823380995 /nfs/dbraw/zinc/38/09/95/823380995.db2.gz UCTIXZJSEWZUCT-UHFFFAOYSA-N -1 1 392.480 4.041 20 0 GIADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2s1 ZINC000024260821 819040284 /nfs/dbraw/zinc/04/02/84/819040284.db2.gz LBYQHNKJQCVULR-UHFFFAOYSA-N -1 1 388.392 4.304 20 0 GIADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189254944 823382050 /nfs/dbraw/zinc/38/20/50/823382050.db2.gz BXYULBQNBFWQIU-UHFFFAOYSA-N -1 1 381.322 4.194 20 0 GIADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460434135 823388049 /nfs/dbraw/zinc/38/80/49/823388049.db2.gz GADPDLINMUZCHW-UHFFFAOYSA-N -1 1 381.375 4.424 20 0 GIADMM O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1cccc2cnccc21 ZINC000177166024 823388813 /nfs/dbraw/zinc/38/88/13/823388813.db2.gz QQKCXTPLQHQRQN-UHFFFAOYSA-N -1 1 378.457 4.179 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000177189658 823395428 /nfs/dbraw/zinc/39/54/28/823395428.db2.gz VEZCJFWYGKFIMW-HOTGVXAUSA-N -1 1 380.517 4.225 20 0 GIADMM C[C@H]1c2ccccc2CCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000177193519 823395657 /nfs/dbraw/zinc/39/56/57/823395657.db2.gz XFDJUBACRVNKPW-ZDUSSCGKSA-N -1 1 384.530 4.205 20 0 GIADMM O=C(Nc1nc(C2CC2)cs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000025562192 820003170 /nfs/dbraw/zinc/00/31/70/820003170.db2.gz ADJIQMDHJRZJPQ-UHFFFAOYSA-N -1 1 399.497 4.074 20 0 GIADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000123037641 823451469 /nfs/dbraw/zinc/45/14/69/823451469.db2.gz TTWVULHFKVDHGK-UHFFFAOYSA-N -1 1 388.876 4.277 20 0 GIADMM O=S(=O)([N-]c1cccc(OCc2ccc(F)cc2)c1)c1cccc(F)c1 ZINC000026544049 820111892 /nfs/dbraw/zinc/11/18/92/820111892.db2.gz WSJFAHLWQLAQLL-UHFFFAOYSA-N -1 1 375.396 4.345 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(F)c(F)c1 ZINC000026548168 820112443 /nfs/dbraw/zinc/11/24/43/820112443.db2.gz IFTKDSFYMXVRPW-UHFFFAOYSA-N -1 1 376.384 4.298 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000026548144 820112493 /nfs/dbraw/zinc/11/24/93/820112493.db2.gz QGOCLWUHRZRWFQ-UHFFFAOYSA-N -1 1 382.441 4.222 20 0 GIADMM CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC000027155157 820202242 /nfs/dbraw/zinc/20/22/42/820202242.db2.gz UPZNHPUNULUBPK-QGZVFWFLSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)cc1C ZINC000027180032 820206319 /nfs/dbraw/zinc/20/63/19/820206319.db2.gz IQMZTTFKBSOCIH-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)(C)C)c2)c1 ZINC000027366598 820232167 /nfs/dbraw/zinc/23/21/67/820232167.db2.gz IXZVYACPTFSGJY-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)n3)ccc2C)c1 ZINC000028194879 820317782 /nfs/dbraw/zinc/31/77/82/820317782.db2.gz REYNYIASDVJUQE-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n1 ZINC000029005078 820382873 /nfs/dbraw/zinc/38/28/73/820382873.db2.gz LJUAQYFPZXPPPC-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCCC(C)C ZINC000029140317 820397976 /nfs/dbraw/zinc/39/79/76/820397976.db2.gz ZOWBIXLGELQWFH-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000029287195 820428289 /nfs/dbraw/zinc/42/82/89/820428289.db2.gz MSIGRGFPNPZOAR-SFHVURJKSA-N -1 1 393.516 4.065 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000029447986 820456669 /nfs/dbraw/zinc/45/66/69/820456669.db2.gz VZDPULUZVBATGL-OAHLLOKOSA-N -1 1 392.496 4.196 20 0 GIADMM CC(C)Oc1c(NS(=O)(=O)c2ccc3ccccc3c2)cccc1C(=O)[O-] ZINC000410395432 823485611 /nfs/dbraw/zinc/48/56/11/823485611.db2.gz BSKLWXYJDWZRTJ-UHFFFAOYSA-N -1 1 385.441 4.126 20 0 GIADMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000460700043 823486071 /nfs/dbraw/zinc/48/60/71/823486071.db2.gz QHHJVRVVKHXIQY-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000030015131 820569721 /nfs/dbraw/zinc/56/97/21/820569721.db2.gz NXFCEFMOZJKTJK-GDBMZVCRSA-N -1 1 388.537 4.091 20 0 GIADMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)c(F)c1F ZINC000189812507 823500045 /nfs/dbraw/zinc/50/00/45/823500045.db2.gz BKGSUXKMXHOEEP-UHFFFAOYSA-N -1 1 383.782 4.452 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000031107439 820744836 /nfs/dbraw/zinc/74/48/36/820744836.db2.gz IVJIOTDERYWAGU-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000032071808 820894070 /nfs/dbraw/zinc/89/40/70/820894070.db2.gz WLUQCBGLAOOGEW-KRWDZBQOSA-N -1 1 388.533 4.365 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1OC1CCCC1 ZINC000032098545 820898359 /nfs/dbraw/zinc/89/83/59/820898359.db2.gz QOSKFNSURFWYKB-UHFFFAOYSA-N -1 1 381.881 4.471 20 0 GIADMM Cc1cc2cc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)ccc2[nH]1 ZINC000032432667 820942868 /nfs/dbraw/zinc/94/28/68/820942868.db2.gz IBKDDZHXVPZALC-UHFFFAOYSA-N -1 1 377.473 4.345 20 0 GIADMM CCC(CC)CN(CC)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000032742067 821001928 /nfs/dbraw/zinc/00/19/28/821001928.db2.gz GYVRBXUZUFMNMI-UHFFFAOYSA-N -1 1 390.553 4.291 20 0 GIADMM Cc1nc(NC(=O)Cc2cccc(F)c2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123561822 823521659 /nfs/dbraw/zinc/52/16/59/823521659.db2.gz YNFLMUMIIIVERO-UHFFFAOYSA-N -1 1 389.481 4.028 20 0 GIADMM Cc1nc(NC(=O)c2ccc(C)c(F)c2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123568384 823522271 /nfs/dbraw/zinc/52/22/71/823522271.db2.gz PZYLMZNLVFRRNQ-UHFFFAOYSA-N -1 1 389.481 4.407 20 0 GIADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460834870 823525396 /nfs/dbraw/zinc/52/53/96/823525396.db2.gz XBAZTKMGBJFCNS-UHFFFAOYSA-N -1 1 393.480 4.137 20 0 GIADMM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000039971421 821123605 /nfs/dbraw/zinc/12/36/05/821123605.db2.gz QDPMENOAMSJTCC-UHFFFAOYSA-N -1 1 394.496 4.313 20 0 GIADMM Cc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1F ZINC000123738532 823536020 /nfs/dbraw/zinc/53/60/20/823536020.db2.gz POLSRLRLXBZTCS-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000041513618 821203203 /nfs/dbraw/zinc/20/32/03/821203203.db2.gz QOXQOXFRWXRTEP-AWEZNQCLSA-N -1 1 378.413 4.099 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)c1ccc2ccccc2c1 ZINC000060520711 823537946 /nfs/dbraw/zinc/53/79/46/823537946.db2.gz GSQJJUWLSXVGLT-MRXNPFEDSA-N -1 1 389.455 4.442 20 0 GIADMM O=C(Nc1ccc(Cl)cc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043276067 821385559 /nfs/dbraw/zinc/38/55/59/821385559.db2.gz MYFVMEBBPVYGBF-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)Nc1ccc(Cl)cc1 ZINC000043466354 821411818 /nfs/dbraw/zinc/41/18/18/821411818.db2.gz CKBVVOHYHSZTDF-UHFFFAOYSA-N -1 1 386.864 4.238 20 0 GIADMM C[C@H]1CCc2nc(NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)sc2C1 ZINC000043577260 821429707 /nfs/dbraw/zinc/42/97/07/821429707.db2.gz PQBWTCCYJGGHKJ-ZDUSSCGKSA-N -1 1 399.516 4.100 20 0 GIADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000181023508 821599024 /nfs/dbraw/zinc/59/90/24/821599024.db2.gz ZYNCVSWWGIZMTB-NSHDSACASA-N -1 1 391.393 4.412 20 0 GIADMM Cc1[nH]c2c(cccc2C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000044917610 821680311 /nfs/dbraw/zinc/68/03/11/821680311.db2.gz DQYXGHPGYSOGTP-UHFFFAOYSA-N -1 1 376.456 4.225 20 0 GIADMM COc1ccc(NC(c2ccccc2)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000181181367 821681764 /nfs/dbraw/zinc/68/17/64/821681764.db2.gz UUVYSARZPFZCTP-UHFFFAOYSA-N -1 1 382.485 4.268 20 0 GIADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F ZINC000181213300 821700854 /nfs/dbraw/zinc/70/08/54/821700854.db2.gz HCXBVAOPRXBOBN-UHFFFAOYSA-N -1 1 380.441 4.038 20 0 GIADMM O=C([O-])CCCCN1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000181582388 821888816 /nfs/dbraw/zinc/88/88/16/821888816.db2.gz WYXNCUBYMAAIPV-UHFFFAOYSA-N -1 1 392.952 4.441 20 0 GIADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([O-])cc1F ZINC000181895167 822029519 /nfs/dbraw/zinc/02/95/19/822029519.db2.gz DZZKYJFSOKIHFC-KBPBESRZSA-N -1 1 384.451 4.210 20 0 GIADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182351411 822211253 /nfs/dbraw/zinc/21/12/53/822211253.db2.gz KFYNORUNMYCCSC-CQSZACIVSA-N -1 1 398.484 4.306 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c2ccccc12 ZINC000182418748 822235689 /nfs/dbraw/zinc/23/56/89/822235689.db2.gz MCLGTJOBPSFEFC-UHFFFAOYSA-N -1 1 396.468 4.110 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)ccc1F ZINC000182518940 822279760 /nfs/dbraw/zinc/27/97/60/822279760.db2.gz WWBACXRSFWXILU-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000182828845 822374287 /nfs/dbraw/zinc/37/42/87/822374287.db2.gz VNTLBQPXYCSWPJ-UHFFFAOYSA-N -1 1 395.484 4.151 20 0 GIADMM Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1C[C@H]1CCCO1 ZINC000182865631 822381905 /nfs/dbraw/zinc/38/19/05/822381905.db2.gz NLWACEOLQCVPAC-QJKHOBJASA-N -1 1 399.878 4.189 20 0 GIADMM CO[C@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc([C@H]2CCCO2)n1CC(C)C ZINC000453528258 822383539 /nfs/dbraw/zinc/38/35/39/822383539.db2.gz YEMZBYWLFXHEQV-OLMNPRSZSA-N -1 1 392.931 4.049 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CCC(C)C)c2)cc1F ZINC000045473367 822389433 /nfs/dbraw/zinc/38/94/33/822389433.db2.gz FVCAASLDTKRLDY-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM COc1ccc(CCC(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000182922148 822393147 /nfs/dbraw/zinc/39/31/47/822393147.db2.gz OMTAGHOLPNBKOG-UHFFFAOYSA-N -1 1 394.265 4.052 20 0 GIADMM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182923771 822393504 /nfs/dbraw/zinc/39/35/04/822393504.db2.gz QUTDHOWGNBRCOX-UHFFFAOYSA-N -1 1 397.656 4.327 20 0 GIADMM COc1cc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1OC ZINC000182935393 822395771 /nfs/dbraw/zinc/39/57/71/822395771.db2.gz POIRHRPHZGLSQB-UHFFFAOYSA-N -1 1 380.238 4.041 20 0 GIADMM CN(CC1CCCCC1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179383595 822474603 /nfs/dbraw/zinc/47/46/03/822474603.db2.gz NDXGHQPPVVJDPX-UHFFFAOYSA-N -1 1 388.386 4.155 20 0 GIADMM O=c1cc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c2ccc([O-])cc2o1 ZINC000183460411 822478571 /nfs/dbraw/zinc/47/85/71/822478571.db2.gz ISYQFMQGJMDNGB-KRWDZBQOSA-N -1 1 385.288 4.170 20 0 GIADMM CC[C@@]1(C)CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179650711 822519901 /nfs/dbraw/zinc/51/99/01/822519901.db2.gz ZWGXENVPSRFRHT-KRWDZBQOSA-N -1 1 388.386 4.155 20 0 GIADMM CC(C)N(CC(F)F)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179858294 822567396 /nfs/dbraw/zinc/56/73/96/822567396.db2.gz PEZYPCRIKGZFBY-UHFFFAOYSA-N -1 1 398.356 4.038 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000179916221 822576450 /nfs/dbraw/zinc/57/64/50/822576450.db2.gz AAIPGGQOIZZBOF-TZIWHRDSSA-N -1 1 379.431 4.413 20 0 GIADMM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nc(-c2ccccc2)cs1 ZINC000184532630 822652364 /nfs/dbraw/zinc/65/23/64/822652364.db2.gz ARISERVWVDSILK-CYBMUJFWSA-N -1 1 378.453 4.473 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2c3ccccc3[C@H](C)CC2(C)C)c(=O)[n-]1 ZINC000180317308 822662437 /nfs/dbraw/zinc/66/24/37/822662437.db2.gz NWGVKROKWJXMSE-CYBMUJFWSA-N -1 1 385.533 4.052 20 0 GIADMM O=C(Nc1ccc([O-])c(-c2nc(-c3ccccc3)no2)c1)OCC(F)(F)F ZINC000184825358 822696099 /nfs/dbraw/zinc/69/60/99/822696099.db2.gz CIMKKKWQQDBAGI-UHFFFAOYSA-N -1 1 379.294 4.220 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000180547726 822700050 /nfs/dbraw/zinc/70/00/50/822700050.db2.gz JUEBKDZMMPNTKR-UHFFFAOYSA-N -1 1 383.341 4.234 20 0 GIADMM C[C@H](Cc1noc(-c2ccc3ccccc3c2[O-])n1)N(C)C(=O)OC(C)(C)C ZINC000184879701 822706230 /nfs/dbraw/zinc/70/62/30/822706230.db2.gz WTKLXVFEYBHDJI-CYBMUJFWSA-N -1 1 383.448 4.393 20 0 GIADMM Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455770382 822723312 /nfs/dbraw/zinc/72/33/12/822723312.db2.gz MUVFXLIZSSNOIU-GDBMZVCRSA-N -1 1 387.505 4.058 20 0 GIADMM Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185049160 822729127 /nfs/dbraw/zinc/72/91/27/822729127.db2.gz GDFNGIXQNKDFQO-UHFFFAOYSA-N -1 1 399.903 4.438 20 0 GIADMM CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185050328 822729392 /nfs/dbraw/zinc/72/93/92/822729392.db2.gz IBPAPMBAGIUBET-UHFFFAOYSA-N -1 1 379.485 4.039 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185328164 822766727 /nfs/dbraw/zinc/76/67/27/822766727.db2.gz FJGGJNOSVNAEJB-SNVBAGLBSA-N -1 1 387.892 4.098 20 0 GIADMM CC(C)c1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c([O-])c1 ZINC000052202430 822793113 /nfs/dbraw/zinc/79/31/13/822793113.db2.gz IPWZQEGLSXYWQT-UHFFFAOYSA-N -1 1 375.490 4.091 20 0 GIADMM CCc1ccc([C@H](COC)N[C@@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000185548311 822795640 /nfs/dbraw/zinc/79/56/40/822795640.db2.gz JBLIQAPASALMST-BONVTDFDSA-N -1 1 386.261 4.488 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2cc3ccccc3o2)c1 ZINC000174691973 822824045 /nfs/dbraw/zinc/82/40/45/822824045.db2.gz NFLFGFLGGAIWOO-UHFFFAOYSA-N -1 1 392.484 4.321 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C ZINC000174695766 822824594 /nfs/dbraw/zinc/82/45/94/822824594.db2.gz AAXLNMAKABEOHA-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456793781 822831684 /nfs/dbraw/zinc/83/16/84/822831684.db2.gz OMQOJYHKJDQEHA-DYZYQPBXSA-N -1 1 396.821 4.107 20 0 GIADMM C[C@H](NC(=O)OC(C)(C)C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174763647 822834113 /nfs/dbraw/zinc/83/41/13/822834113.db2.gz QYOXYNYHZCWFNV-AWEZNQCLSA-N -1 1 376.478 4.073 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1C ZINC000053643643 822843648 /nfs/dbraw/zinc/84/36/48/822843648.db2.gz JJMJOHSCWGLSCF-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM CCOc1cc(-c2nc3ccc(Br)cc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000053850733 822850720 /nfs/dbraw/zinc/85/07/20/822850720.db2.gz MLDQAJJUTRKNAQ-UHFFFAOYSA-N -1 1 395.640 4.110 20 0 GIADMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000054294553 822873475 /nfs/dbraw/zinc/87/34/75/822873475.db2.gz MFMFPZOFXBNMFB-UHFFFAOYSA-N -1 1 399.472 4.160 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)Cc2ccccc2C)cc1 ZINC000054578389 822896765 /nfs/dbraw/zinc/89/67/65/822896765.db2.gz LFLVYVKOCXTMHE-QGZVFWFLSA-N -1 1 394.544 4.362 20 0 GIADMM CSc1nc(C)c(CCC(=O)OC2c3ccccc3-c3ccccc32)c(=O)[n-]1 ZINC000054583412 822897006 /nfs/dbraw/zinc/89/70/06/822897006.db2.gz FHBHHTAWTAAQLO-UHFFFAOYSA-N -1 1 392.480 4.046 20 0 GIADMM Cc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1C(=O)N(C)C ZINC000186478095 822901826 /nfs/dbraw/zinc/90/18/26/822901826.db2.gz HENHUZOEJCLARX-NSHDSACASA-N -1 1 395.272 4.477 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1csc(-c2ccccn2)n1 ZINC000175245437 822912827 /nfs/dbraw/zinc/91/28/27/822912827.db2.gz SLHLUNQHJMPFIK-UHFFFAOYSA-N -1 1 396.216 4.498 20 0 GIADMM CCS[C@H]1CCCC[C@H]1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000175256847 822916339 /nfs/dbraw/zinc/91/63/39/822916339.db2.gz MLFKYFWWOINWGT-CVEARBPZSA-N -1 1 390.578 4.097 20 0 GIADMM CCOc1cc(C(=O)NCc2ccc(Br)s2)cc(Cl)c1[O-] ZINC000186578473 822916628 /nfs/dbraw/zinc/91/66/28/822916628.db2.gz HEWLIUZLBFXANS-UHFFFAOYSA-N -1 1 390.686 4.198 20 0 GIADMM CCOc1cc(C(=O)Nc2ccccc2CN(CC)C(C)=O)cc(Cl)c1[O-] ZINC000186600960 822921745 /nfs/dbraw/zinc/92/17/45/822921745.db2.gz PNNZAEQLHMEHJF-UHFFFAOYSA-N -1 1 390.867 4.065 20 0 GIADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000175298141 822928107 /nfs/dbraw/zinc/92/81/07/822928107.db2.gz DDFGXYSGUARHBU-UHFFFAOYSA-N -1 1 392.358 4.251 20 0 GIADMM O=C([N-]c1c(F)cc(F)cc1F)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000175313287 822932224 /nfs/dbraw/zinc/93/22/24/822932224.db2.gz VPPIFMVNDFENHV-UHFFFAOYSA-N -1 1 392.768 4.468 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)cc(Cl)c1[O-] ZINC000186787546 822955218 /nfs/dbraw/zinc/95/52/18/822955218.db2.gz JQEHZAIYBHRHHN-UHFFFAOYSA-N -1 1 383.231 4.308 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC)cc(Cl)c1[O-] ZINC000186790698 822955948 /nfs/dbraw/zinc/95/59/48/822955948.db2.gz OAVMTPKEOAZAJC-LBPRGKRZSA-N -1 1 387.867 4.305 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)cc(Cl)c1[O-] ZINC000186794686 822956713 /nfs/dbraw/zinc/95/67/13/822956713.db2.gz INZGTMPBEAWSBW-UHFFFAOYSA-N -1 1 390.867 4.143 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc(Cl)c1[O-] ZINC000186814393 822959624 /nfs/dbraw/zinc/95/96/24/822959624.db2.gz MCTUBGOHDBRCIE-KRWDZBQOSA-N -1 1 388.895 4.185 20 0 GIADMM CCOc1cc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)cc(Cl)c1[O-] ZINC000186816471 822960180 /nfs/dbraw/zinc/96/01/80/822960180.db2.gz UHGNOBALZNYZRB-UHFFFAOYSA-N -1 1 389.879 4.436 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc(Cl)c1[O-] ZINC000186841365 822965722 /nfs/dbraw/zinc/96/57/22/822965722.db2.gz QTPFPXMFXKVZAW-NSHDSACASA-N -1 1 393.871 4.366 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc(Cl)c1[O-] ZINC000186853491 822968187 /nfs/dbraw/zinc/96/81/87/822968187.db2.gz IFQTZAHCRQPITO-HIFRSBDPSA-N -1 1 395.908 4.234 20 0 GIADMM O=C([O-])c1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(F)c1 ZINC000569818378 822972292 /nfs/dbraw/zinc/97/22/92/822972292.db2.gz RDCKAFKRXHDCRD-LBPRGKRZSA-N -1 1 388.386 4.379 20 0 GIADMM CC(=O)c1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000055527532 822974965 /nfs/dbraw/zinc/97/49/65/822974965.db2.gz FQPCAUGPIVLPLO-UHFFFAOYSA-N -1 1 380.473 4.148 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c2ccccc12 ZINC000055567382 822980475 /nfs/dbraw/zinc/98/04/75/822980475.db2.gz GFAZFWCFIVFCGG-UHFFFAOYSA-N -1 1 398.484 4.244 20 0 GIADMM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)C1=Cc2ccccc2OCC1 ZINC000186928044 822981869 /nfs/dbraw/zinc/98/18/69/822981869.db2.gz WHKNUZBDOQEQGJ-UHFFFAOYSA-N -1 1 399.390 4.193 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c2cccnc12 ZINC000055582455 822982100 /nfs/dbraw/zinc/98/21/00/822982100.db2.gz QIHZICNGKSQGHD-UHFFFAOYSA-N -1 1 395.440 4.008 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)cc1 ZINC000055632160 822989873 /nfs/dbraw/zinc/98/98/73/822989873.db2.gz CCZOCDADQVRVHC-UHFFFAOYSA-N -1 1 395.349 4.044 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000055632167 822990013 /nfs/dbraw/zinc/99/00/13/822990013.db2.gz BOFJDKRJKLXRTP-UHFFFAOYSA-N -1 1 391.386 4.213 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1)N1CCCCC1 ZINC000055650862 822993351 /nfs/dbraw/zinc/99/33/51/822993351.db2.gz OWGVOFIHXSUSOA-UHFFFAOYSA-N -1 1 394.496 4.267 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCc3cc(C)ccc32)cc1 ZINC000055661105 822995406 /nfs/dbraw/zinc/99/54/06/822995406.db2.gz BKHYLQFMXWGLKJ-LJQANCHMSA-N -1 1 392.528 4.418 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 ZINC000055663315 822995808 /nfs/dbraw/zinc/99/58/08/822995808.db2.gz WADNFTCEFFDJDB-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000187099351 823010439 /nfs/dbraw/zinc/01/04/39/823010439.db2.gz IKUDPNAJODWHFX-MRXNPFEDSA-N -1 1 386.517 4.058 20 0 GIADMM C[C@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)[C@H](c2ccco2)C1 ZINC000175663481 823015369 /nfs/dbraw/zinc/01/53/69/823015369.db2.gz BTHSENWNUGFTSQ-STQMWFEESA-N -1 1 388.518 4.262 20 0 GIADMM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCSc1ccccc1 ZINC000570456920 823040637 /nfs/dbraw/zinc/04/06/37/823040637.db2.gz ROHQVIHPVABRHL-KRWDZBQOSA-N -1 1 392.318 4.053 20 0 GIADMM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccccc1F ZINC000060738719 823554826 /nfs/dbraw/zinc/55/48/26/823554826.db2.gz FTNWBEPOUCEYAX-UHFFFAOYSA-N -1 1 385.395 4.309 20 0 GIADMM O=C(Cc1ccc(Cl)cc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000123997739 823558726 /nfs/dbraw/zinc/55/87/26/823558726.db2.gz IALWDWNNGBIDBW-UHFFFAOYSA-N -1 1 392.282 4.363 20 0 GIADMM COc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1OC(F)F ZINC000124037474 823561920 /nfs/dbraw/zinc/56/19/20/823561920.db2.gz GDRPTLOJVQNKET-UHFFFAOYSA-N -1 1 391.414 4.097 20 0 GIADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(F)cccc2F)c(Br)c1 ZINC000461125455 823582523 /nfs/dbraw/zinc/58/25/23/823582523.db2.gz HYENHXXPRISEBG-UHFFFAOYSA-N -1 1 376.222 4.145 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)ccc1F ZINC000190718076 823601748 /nfs/dbraw/zinc/60/17/48/823601748.db2.gz LYCNZTYEOSICSY-UHFFFAOYSA-N -1 1 378.450 4.067 20 0 GIADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(Br)c([O-])c1 ZINC000124582822 823608442 /nfs/dbraw/zinc/60/84/42/823608442.db2.gz MSULCYDYTINCSD-UHFFFAOYSA-N -1 1 383.245 4.147 20 0 GIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000461334163 823619386 /nfs/dbraw/zinc/61/93/86/823619386.db2.gz PPFUXKPRVAEKBP-YQVWRLOYSA-N -1 1 398.528 4.186 20 0 GIADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc12 ZINC000461342096 823620782 /nfs/dbraw/zinc/62/07/82/823620782.db2.gz MUNHLHZFALEWLQ-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM O=S(=O)([N-]c1ccccc1Br)c1ccc(C(F)(F)F)s1 ZINC000461346026 823621437 /nfs/dbraw/zinc/62/14/37/823621437.db2.gz FUSKROGDINOZCA-UHFFFAOYSA-N -1 1 386.214 4.330 20 0 GIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(C(F)(F)F)s1 ZINC000461350862 823621704 /nfs/dbraw/zinc/62/17/04/823621704.db2.gz ZNNUYEZJUXGUBZ-UHFFFAOYSA-N -1 1 377.743 4.499 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)C1=CCCCC1 ZINC000412292345 823643560 /nfs/dbraw/zinc/64/35/60/823643560.db2.gz PNRCGXUEEZBAQY-UHFFFAOYSA-N -1 1 375.060 4.356 20 0 GIADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294744 823643774 /nfs/dbraw/zinc/64/37/74/823643774.db2.gz WZFXTOAHPNMZKG-JGVFFNPUSA-N -1 1 377.076 4.148 20 0 GIADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412294743 823643879 /nfs/dbraw/zinc/64/38/79/823643879.db2.gz WZFXTOAHPNMZKG-HTQZYQBOSA-N -1 1 377.076 4.148 20 0 GIADMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000063181491 823654741 /nfs/dbraw/zinc/65/47/41/823654741.db2.gz SIVJHTOLRPMQNJ-UHFFFAOYSA-N -1 1 382.869 4.345 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c2ccccc12 ZINC000063182112 823654856 /nfs/dbraw/zinc/65/48/56/823654856.db2.gz JEOBVGRTKVWAAZ-UHFFFAOYSA-N -1 1 379.441 4.039 20 0 GIADMM Cc1nnsc1C(=O)[N-]c1cc(C(F)(F)F)ccc1SCC(F)F ZINC000191431065 823684394 /nfs/dbraw/zinc/68/43/94/823684394.db2.gz LOFHGGLCMVQEDJ-UHFFFAOYSA-N -1 1 383.367 4.475 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000125581084 823687125 /nfs/dbraw/zinc/68/71/25/823687125.db2.gz VDIICGVNEFBNQS-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000063700831 823690013 /nfs/dbraw/zinc/69/00/13/823690013.db2.gz DHRPDWKNOWBGOP-ROUUACIJSA-N -1 1 396.491 4.118 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000063724487 823691991 /nfs/dbraw/zinc/69/19/91/823691991.db2.gz WAWPJGKAWZIGBT-UHFFFAOYSA-N -1 1 399.472 4.054 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)ccc1Br ZINC000063849463 823701945 /nfs/dbraw/zinc/70/19/45/823701945.db2.gz BUPSIPJYBMEYMD-UHFFFAOYSA-N -1 1 398.322 4.483 20 0 GIADMM Cc1cc(C)cc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163882838 823756765 /nfs/dbraw/zinc/75/67/65/823756765.db2.gz DJFVWTAIWFLGDV-INIZCTEOSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1sc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1C ZINC000163897918 823758747 /nfs/dbraw/zinc/75/87/47/823758747.db2.gz ZIUFXEYVRYTFGE-UHFFFAOYSA-N -1 1 399.541 4.463 20 0 GIADMM Cc1c(=O)[n-]c(SCC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 ZINC000163902629 823759094 /nfs/dbraw/zinc/75/90/94/823759094.db2.gz SPHBDEXOQFSVJN-UHFFFAOYSA-N -1 1 376.890 4.435 20 0 GIADMM C[C@@H](Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000191778454 823765221 /nfs/dbraw/zinc/76/52/21/823765221.db2.gz WKPGWJIKCFXASK-LLVKDONJSA-N -1 1 376.338 4.216 20 0 GIADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)c1ccc(F)cc1 ZINC000574696628 823802536 /nfs/dbraw/zinc/80/25/36/823802536.db2.gz SOOZHNZLHTYFDU-UHFFFAOYSA-N -1 1 375.197 4.119 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1-c1ncco1 ZINC000164677351 823815546 /nfs/dbraw/zinc/81/55/46/823815546.db2.gz LCRZCPWBLKSVLM-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CCCCNC(=O)N[N-]C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000064424959 823817600 /nfs/dbraw/zinc/81/76/00/823817600.db2.gz MKEPBNIYFJJNQU-UHFFFAOYSA-N -1 1 386.304 4.466 20 0 GIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000462064145 823817807 /nfs/dbraw/zinc/81/78/07/823817807.db2.gz WFNHGVGGQDVNGP-UHFFFAOYSA-N -1 1 398.435 4.473 20 0 GIADMM [O-]c1c(Br)cc(Br)cc1CNc1cccc(CO)c1 ZINC000191945233 823820001 /nfs/dbraw/zinc/82/00/01/823820001.db2.gz RXHXHMPZQJWTHX-UHFFFAOYSA-N -1 1 387.071 4.022 20 0 GIADMM O=C(Nc1nnc(Cc2cccc(F)c2)s1)Nc1ccc([O-])c(Cl)c1 ZINC000192215637 823905944 /nfs/dbraw/zinc/90/59/44/823905944.db2.gz MOUOWSVJCHOXNR-UHFFFAOYSA-N -1 1 378.816 4.271 20 0 GIADMM CCC1=NO[C@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@H](c2ccccc2)CC4)C1 ZINC000126615258 823911545 /nfs/dbraw/zinc/91/15/45/823911545.db2.gz QYXBMJJUHHTAOG-CJNGLKHVSA-N -1 1 379.485 4.485 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1cccc(Br)c1 ZINC000064938339 823916097 /nfs/dbraw/zinc/91/60/97/823916097.db2.gz DDXWMXRZSDLFKH-UHFFFAOYSA-N -1 1 396.306 4.177 20 0 GIADMM CC(C)n1nnnc1-c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000192264629 823922182 /nfs/dbraw/zinc/92/21/82/823922182.db2.gz IJVKREWVZUVVDU-UHFFFAOYSA-N -1 1 390.806 4.063 20 0 GIADMM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cncc(Cl)n1 ZINC000192331041 823948515 /nfs/dbraw/zinc/94/85/15/823948515.db2.gz DEAZKRMJACGEIO-UHFFFAOYSA-N -1 1 398.300 4.180 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3c2cccc3C)cc1 ZINC000126795698 823953491 /nfs/dbraw/zinc/95/34/91/823953491.db2.gz FVRWXVXBNCPUKK-UHFFFAOYSA-N -1 1 378.501 4.204 20 0 GIADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)on1 ZINC000462393021 823957500 /nfs/dbraw/zinc/95/75/00/823957500.db2.gz NFHXXGGFLZIZOK-UHFFFAOYSA-N -1 1 377.293 4.364 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 ZINC000414372693 823968221 /nfs/dbraw/zinc/96/82/21/823968221.db2.gz KOAPGABEURSHBA-XMMPIXPASA-N -1 1 377.531 4.178 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000126941459 823986303 /nfs/dbraw/zinc/98/63/03/823986303.db2.gz NUHFPYRVUIZTMD-HNNXBMFYSA-N -1 1 378.501 4.457 20 0 GIADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc21 ZINC000126951659 823988149 /nfs/dbraw/zinc/98/81/49/823988149.db2.gz GOQYZHMEKSIEAV-INIZCTEOSA-N -1 1 392.480 4.251 20 0 GIADMM CSc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1C ZINC000575891164 824021739 /nfs/dbraw/zinc/02/17/39/824021739.db2.gz OEIMILTVDIGLAO-UHFFFAOYSA-N -1 1 384.482 4.237 20 0 GIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(-c4ccco4)s3)s2)cc1 ZINC000170975582 824025553 /nfs/dbraw/zinc/02/55/53/824025553.db2.gz CSFBSUXUVDAPAP-UHFFFAOYSA-N -1 1 382.470 4.406 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1 ZINC000171024276 824040884 /nfs/dbraw/zinc/04/08/84/824040884.db2.gz WPWMWKLKKVLZOK-UHFFFAOYSA-N -1 1 391.436 4.459 20 0 GIADMM CCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(Cl)c1[O-] ZINC000192597766 824041950 /nfs/dbraw/zinc/04/19/50/824041950.db2.gz AKHGDIRBRBGVCV-UHFFFAOYSA-N -1 1 395.286 4.060 20 0 GIADMM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000192602784 824043507 /nfs/dbraw/zinc/04/35/07/824043507.db2.gz ZRRCDIIXNPMRDC-UHFFFAOYSA-N -1 1 398.887 4.198 20 0 GIADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC000015744131 210167014 /nfs/dbraw/zinc/16/70/14/210167014.db2.gz SHRKLGDEVPLRKD-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000008291868 212075219 /nfs/dbraw/zinc/07/52/19/212075219.db2.gz PISYNNXLNJKVFK-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008287448 212074723 /nfs/dbraw/zinc/07/47/23/212074723.db2.gz KKRCESZZRFNSEU-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCCCCC1 ZINC000006401152 212070434 /nfs/dbraw/zinc/07/04/34/212070434.db2.gz NVBKRLLCPQYZSA-UHFFFAOYSA-N -1 1 392.908 4.157 20 0 GIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc(Cl)c1F ZINC000071975348 211065526 /nfs/dbraw/zinc/06/55/26/211065526.db2.gz HXIJVQNMCRYZBX-UHFFFAOYSA-N -1 1 392.235 4.095 20 0 GIADMM CC(C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843683 823053131 /nfs/dbraw/zinc/05/31/31/823053131.db2.gz CHULCTUOGANZDC-GFCCVEGCSA-N -1 1 396.896 4.077 20 0 GIADMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 ZINC000175922933 823073710 /nfs/dbraw/zinc/07/37/10/823073710.db2.gz LLRXSPNHSVPSQI-UHFFFAOYSA-N -1 1 387.244 4.082 20 0 GIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCSC2(CCCCC2)C1 ZINC000175927176 823074788 /nfs/dbraw/zinc/07/47/88/823074788.db2.gz WYANWIQRCLXSDY-UHFFFAOYSA-N -1 1 380.608 4.302 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3C4CCC3CC4)ccc2C)c1 ZINC000570795918 823088599 /nfs/dbraw/zinc/08/85/99/823088599.db2.gz TYZRQXCCUWKDQI-UHFFFAOYSA-N -1 1 399.516 4.263 20 0 GIADMM CCOC(=O)Nc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000056158648 823092317 /nfs/dbraw/zinc/09/23/17/823092317.db2.gz AYLJNORPRGPZKY-UHFFFAOYSA-N -1 1 382.416 4.242 20 0 GIADMM COC(=O)c1cnc(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)[n-]1 ZINC000187582496 823092702 /nfs/dbraw/zinc/09/27/02/823092702.db2.gz XSMHDZDUPMGYPM-LJQANCHMSA-N -1 1 391.452 4.394 20 0 GIADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000187582496 823092705 /nfs/dbraw/zinc/09/27/05/823092705.db2.gz XSMHDZDUPMGYPM-LJQANCHMSA-N -1 1 391.452 4.394 20 0 GIADMM CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000120956707 823092864 /nfs/dbraw/zinc/09/28/64/823092864.db2.gz GVGSTQSVAOLXKJ-UHFFFAOYSA-N -1 1 396.896 4.221 20 0 GIADMM COC(=O)c1cnc(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)[n-]1 ZINC000187599871 823095682 /nfs/dbraw/zinc/09/56/82/823095682.db2.gz VRFWCUGWTLHXEE-INIZCTEOSA-N -1 1 392.440 4.128 20 0 GIADMM COC(=O)c1c[n-]c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)n1 ZINC000187599871 823095688 /nfs/dbraw/zinc/09/56/88/823095688.db2.gz VRFWCUGWTLHXEE-INIZCTEOSA-N -1 1 392.440 4.128 20 0 GIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)s1 ZINC000121200506 823137277 /nfs/dbraw/zinc/13/72/77/823137277.db2.gz PWSBKNUROCZJMM-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](COCc2ccccc2)C1 ZINC000571227997 823151854 /nfs/dbraw/zinc/15/18/54/823151854.db2.gz LZWDUJRIRQNCLP-MRXNPFEDSA-N -1 1 396.874 4.273 20 0 GIADMM CCS[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176219342 823155262 /nfs/dbraw/zinc/15/52/62/823155262.db2.gz ULYFJFDUCZEFGO-STQMWFEESA-N -1 1 396.607 4.240 20 0 GIADMM CC(C)(C)c1ccc(CNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000121399884 823177571 /nfs/dbraw/zinc/17/75/71/823177571.db2.gz SKDKXWWXAIQWDJ-UHFFFAOYSA-N -1 1 386.546 4.283 20 0 GIADMM O=c1cc(CN(CCC(F)(F)F)CC(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000459436802 823192072 /nfs/dbraw/zinc/19/20/72/823192072.db2.gz KKFCVTNXMJUKFS-UHFFFAOYSA-N -1 1 379.304 4.166 20 0 GIADMM CC(C)(C)c1csc(NC(=O)CCn2c(-c3cccs3)n[n-]c2=S)n1 ZINC000121575077 823209136 /nfs/dbraw/zinc/20/91/36/823209136.db2.gz LIWCECUAPSYOQR-UHFFFAOYSA-N -1 1 393.563 4.452 20 0 GIADMM CC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000176532032 823230408 /nfs/dbraw/zinc/23/04/08/823230408.db2.gz ZUDOGEJYUNGDAD-WMZOPIPTSA-N -1 1 381.520 4.032 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000121694062 823231733 /nfs/dbraw/zinc/23/17/33/823231733.db2.gz OSUCVLOJZLGEON-INIZCTEOSA-N -1 1 386.517 4.123 20 0 GIADMM O=C([O-])[C@@H](CCN1CCc2c(Br)ccc(F)c2C1)c1ccccc1 ZINC000571811089 823238043 /nfs/dbraw/zinc/23/80/43/823238043.db2.gz SCZHSTMXOFMEPX-AWEZNQCLSA-N -1 1 392.268 4.205 20 0 GIADMM O=C(CC[C@@H]1CCCCO1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176581882 823241401 /nfs/dbraw/zinc/24/14/01/823241401.db2.gz PAZUVPDYJQTMAG-HNNXBMFYSA-N -1 1 398.484 4.044 20 0 GIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000057121324 823250870 /nfs/dbraw/zinc/25/08/70/823250870.db2.gz GIJKHJLWRQHGAY-HNNXBMFYSA-N -1 1 382.485 4.169 20 0 GIADMM Cc1csc(C(=O)Nc2ccc([O-])c(Cl)c2)c1I ZINC000188498016 823251230 /nfs/dbraw/zinc/25/12/30/823251230.db2.gz VKZVCEGEMWJVFG-UHFFFAOYSA-N -1 1 393.633 4.272 20 0 GIADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)c1 ZINC000572035633 823272403 /nfs/dbraw/zinc/27/24/03/823272403.db2.gz FKGOAXNXMUNZMK-UHFFFAOYSA-N -1 1 395.253 4.246 20 0 GIADMM O=S(=O)([N-]c1ccc(OCc2ccccn2)c(F)c1)c1ccc(Cl)cc1 ZINC000176723964 823278023 /nfs/dbraw/zinc/27/80/23/823278023.db2.gz JTQWZZIZMOTGHW-UHFFFAOYSA-N -1 1 392.839 4.254 20 0 GIADMM CCOc1ccc(NC(=O)Cc2sc(Nc3ccc(C)c(C)c3)nc2[O-])cc1 ZINC000005673568 817607782 /nfs/dbraw/zinc/60/77/82/817607782.db2.gz NYKHUTDJDMSSGX-SFHVURJKSA-N -1 1 397.500 4.141 20 0 GIADMM Cc1cc2nnc(SCc3cc(=O)oc4cc([O-])ccc34)n2c2ccccc12 ZINC000005885579 817628465 /nfs/dbraw/zinc/62/84/65/817628465.db2.gz XONGYCODSYQVIR-UHFFFAOYSA-N -1 1 389.436 4.295 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1NCc1ccco1 ZINC000007044304 817745437 /nfs/dbraw/zinc/74/54/37/817745437.db2.gz HPRZMINVLAFEJY-UHFFFAOYSA-N -1 1 391.379 4.061 20 0 GIADMM CCCN(CCC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000057379285 823285196 /nfs/dbraw/zinc/28/51/96/823285196.db2.gz CCHLGQGFUOUJOT-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM COc1cc(C(=O)N[C@H](C)Cc2ccccc2Br)cc(Cl)c1[O-] ZINC000460122669 823289037 /nfs/dbraw/zinc/28/90/37/823289037.db2.gz DESVQUDSKDIBPJ-SNVBAGLBSA-N -1 1 398.684 4.178 20 0 GIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000572192384 823297594 /nfs/dbraw/zinc/29/75/94/823297594.db2.gz DWWVGMJHCPRQJK-UHFFFAOYSA-N -1 1 382.272 4.195 20 0 GIADMM COc1cc2ccccc2cc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007565200 817870846 /nfs/dbraw/zinc/87/08/46/817870846.db2.gz VKYRTAOBGHJRDP-UHFFFAOYSA-N -1 1 376.364 4.017 20 0 GIADMM O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008033295 817986133 /nfs/dbraw/zinc/98/61/33/817986133.db2.gz OMJMQVDINQZKIY-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM CN(Cc1cccc(F)c1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000572231639 823305036 /nfs/dbraw/zinc/30/50/36/823305036.db2.gz WZTTZDXJKFPUAQ-UHFFFAOYSA-N -1 1 389.224 4.114 20 0 GIADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000008181815 818014098 /nfs/dbraw/zinc/01/40/98/818014098.db2.gz VCCCUCUHHPGEFA-OAHLLOKOSA-N -1 1 398.459 4.118 20 0 GIADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H](C)C1CCCCC1)CC2 ZINC000572296157 823315291 /nfs/dbraw/zinc/31/52/91/823315291.db2.gz PXEYPFCKGCEDRS-DNVCBOLYSA-N -1 1 375.509 4.294 20 0 GIADMM COc1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc(Cl)c1[O-] ZINC000460196199 823312706 /nfs/dbraw/zinc/31/27/06/823312706.db2.gz KTCGSQAQCAAYNI-ZDUSSCGKSA-N -1 1 395.286 4.106 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000011750350 818115838 /nfs/dbraw/zinc/11/58/38/818115838.db2.gz XWXFOEYYVHWWMY-UHFFFAOYSA-N -1 1 392.528 4.154 20 0 GIADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000014097300 818222432 /nfs/dbraw/zinc/22/24/32/818222432.db2.gz BNHUUPFYPGYUAI-UHFFFAOYSA-N -1 1 393.770 4.166 20 0 GIADMM Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000015269600 818305038 /nfs/dbraw/zinc/30/50/38/818305038.db2.gz LRFVODNQDAPPJU-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015352400 818315854 /nfs/dbraw/zinc/31/58/54/818315854.db2.gz VVAHCVUNNOHQCZ-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000015352537 818315996 /nfs/dbraw/zinc/31/59/96/818315996.db2.gz ONCHMOGQTBHEOC-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1C ZINC000015422117 818324636 /nfs/dbraw/zinc/32/46/36/818324636.db2.gz PGGDBGQAPXYNLY-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000015734752 818364905 /nfs/dbraw/zinc/36/49/05/818364905.db2.gz MMVTVEGRIOYCOC-UHFFFAOYSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015735903 818365457 /nfs/dbraw/zinc/36/54/57/818365457.db2.gz DQNIAEYIEXSIRH-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000017356956 818512158 /nfs/dbraw/zinc/51/21/58/818512158.db2.gz HBYXYELSRLHOPF-UHFFFAOYSA-N -1 1 390.480 4.031 20 0 GIADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000122421033 823351563 /nfs/dbraw/zinc/35/15/63/823351563.db2.gz JHUJYXXZGBRMHG-UHFFFAOYSA-N -1 1 390.530 4.115 20 0 GIADMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000021564262 818705731 /nfs/dbraw/zinc/70/57/31/818705731.db2.gz LILYFOOKGITUIE-UHFFFAOYSA-N -1 1 376.441 4.345 20 0 GIADMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021870701 818750387 /nfs/dbraw/zinc/75/03/87/818750387.db2.gz CLACAOIYSGHGHP-UHFFFAOYSA-N -1 1 384.785 4.027 20 0 GIADMM CCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142990 823364488 /nfs/dbraw/zinc/36/44/88/823364488.db2.gz OXYAACXLDFRBIR-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2c(s1)CCC2 ZINC000058142809 823364516 /nfs/dbraw/zinc/36/45/16/823364516.db2.gz DTWUANJMSUMZEZ-UHFFFAOYSA-N -1 1 398.509 4.290 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2ccccc2[nH]1 ZINC000058142758 823364602 /nfs/dbraw/zinc/36/46/02/823364602.db2.gz XSRWSTKHOJMPFU-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Fc1ccc(CN(Cn2c(=S)[n-]nc2Cc2cccs2)C2CC2)c(F)c1 ZINC000058206008 823368861 /nfs/dbraw/zinc/36/88/61/823368861.db2.gz YEUIRSNJMGLRGR-UHFFFAOYSA-N -1 1 392.500 4.493 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000022930995 818878259 /nfs/dbraw/zinc/87/82/59/818878259.db2.gz VTHWINBCIMWMRZ-RYUDHWBXSA-N -1 1 379.913 4.146 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000022930999 818878524 /nfs/dbraw/zinc/87/85/24/818878524.db2.gz VTHWINBCIMWMRZ-NEPJUHHUSA-N -1 1 379.913 4.146 20 0 GIADMM CN(Cc1nc2c(s1)CCCC2)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000177176925 823391911 /nfs/dbraw/zinc/39/19/11/823391911.db2.gz GUNRSKHBEPFTFJ-UHFFFAOYSA-N -1 1 391.610 4.488 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1 ZINC000460444215 823391177 /nfs/dbraw/zinc/39/11/77/823391177.db2.gz CWJFDXUPCSPVAX-UHFFFAOYSA-N -1 1 394.924 4.101 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000460456293 823395675 /nfs/dbraw/zinc/39/56/75/823395675.db2.gz GNSIVPMAAVKQAZ-GOSISDBHSA-N -1 1 389.517 4.343 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1 ZINC000177197198 823396840 /nfs/dbraw/zinc/39/68/40/823396840.db2.gz GWOHBTUJRDQUQI-HOTGVXAUSA-N -1 1 380.517 4.225 20 0 GIADMM Cc1ccc2c([O-])c(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)cnc2n1 ZINC000410211577 823421203 /nfs/dbraw/zinc/42/12/03/823421203.db2.gz SUXLPXUUUIJJOG-UHFFFAOYSA-N -1 1 399.853 4.398 20 0 GIADMM Cc1ccc2c(=O)c(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)c[n-]c2n1 ZINC000410211577 823421204 /nfs/dbraw/zinc/42/12/04/823421204.db2.gz SUXLPXUUUIJJOG-UHFFFAOYSA-N -1 1 399.853 4.398 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(C)C)cc2)ccc1F ZINC000025328324 819963048 /nfs/dbraw/zinc/96/30/48/819963048.db2.gz NIRRPIHMZHTPOT-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@@H]3C)c2)c1 ZINC000025441178 819980641 /nfs/dbraw/zinc/98/06/41/819980641.db2.gz KDZJPKRDXYHTEI-KRWDZBQOSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741677 820020436 /nfs/dbraw/zinc/02/04/36/820020436.db2.gz VZEHWYMDVHCBJS-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([O-])cc3O)sc2C)cc1 ZINC000026484902 820103896 /nfs/dbraw/zinc/10/38/96/820103896.db2.gz BQARPMHHHRIPGH-UHFFFAOYSA-N -1 1 398.436 4.183 20 0 GIADMM COCCSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000026690736 820132781 /nfs/dbraw/zinc/13/27/81/820132781.db2.gz DFLYJOMZDHLLDK-UHFFFAOYSA-N -1 1 398.893 4.021 20 0 GIADMM CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)C1 ZINC000027150292 820201732 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GIADMM CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000028490582 820339644 /nfs/dbraw/zinc/33/96/44/820339644.db2.gz VYNMTGYPGQRPIQ-LJQANCHMSA-N -1 1 386.517 4.201 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C)ccc2C)c1 ZINC000028494258 820340430 /nfs/dbraw/zinc/34/04/30/820340430.db2.gz DLBOSBUJMPHSSF-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000028687418 820351800 /nfs/dbraw/zinc/35/18/00/820351800.db2.gz UDMQWMSDCYXAES-UHFFFAOYSA-N -1 1 398.528 4.427 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1csc(Cl)c1 ZINC000189698980 823478659 /nfs/dbraw/zinc/47/86/59/823478659.db2.gz KOBZSEVAWCAWFE-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000410417288 823490991 /nfs/dbraw/zinc/49/09/91/823490991.db2.gz JTZTWCDNBZTWOA-UHFFFAOYSA-N -1 1 395.406 4.215 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)c1 ZINC000030532150 820633263 /nfs/dbraw/zinc/63/32/63/820633263.db2.gz RALPCWVZAMHGAA-UHFFFAOYSA-N -1 1 381.881 4.378 20 0 GIADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410420976 823492258 /nfs/dbraw/zinc/49/22/58/823492258.db2.gz QRTBDYVOSLUDOO-UHFFFAOYSA-N -1 1 398.264 4.090 20 0 GIADMM COc1ccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c([O-])c1 ZINC000059403596 823495248 /nfs/dbraw/zinc/49/52/48/823495248.db2.gz TZBADBQSIAQHPD-UHFFFAOYSA-N -1 1 386.448 4.020 20 0 GIADMM CN(Cc1ccc(Cl)cc1)C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000030685226 820665524 /nfs/dbraw/zinc/66/55/24/820665524.db2.gz JYZJOPKAFPJRJB-UHFFFAOYSA-N -1 1 392.937 4.371 20 0 GIADMM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1Cn1cncn1 ZINC000059780179 823498648 /nfs/dbraw/zinc/49/86/48/823498648.db2.gz RUQWKGYMUXGVRS-UHFFFAOYSA-N -1 1 398.532 4.042 20 0 GIADMM CCN(CC(C)C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000031377368 820800308 /nfs/dbraw/zinc/80/03/08/820800308.db2.gz KYKAQTNVGXQWII-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2)c1 ZINC000031407502 820806415 /nfs/dbraw/zinc/80/64/15/820806415.db2.gz MFGYTJRRAFLDBG-INIZCTEOSA-N -1 1 388.533 4.302 20 0 GIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C ZINC000031722611 820851645 /nfs/dbraw/zinc/85/16/45/820851645.db2.gz YEPDXJXXLBOHTB-UHFFFAOYSA-N -1 1 390.505 4.097 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000031722130 820851899 /nfs/dbraw/zinc/85/18/99/820851899.db2.gz CABZZMMENLIDCE-INIZCTEOSA-N -1 1 388.533 4.068 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3CC)c2)cc1 ZINC000032096071 820897022 /nfs/dbraw/zinc/89/70/22/820897022.db2.gz MUEWACVYSADBHI-OAHLLOKOSA-N -1 1 384.505 4.279 20 0 GIADMM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1C ZINC000032205061 820901980 /nfs/dbraw/zinc/90/19/80/820901980.db2.gz OTXWRULPNCUSKE-UHFFFAOYSA-N -1 1 397.500 4.003 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1F ZINC000032589673 820973636 /nfs/dbraw/zinc/97/36/36/820973636.db2.gz WFJBZOWNEJPFCD-UHFFFAOYSA-N -1 1 395.399 4.290 20 0 GIADMM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1ccc(F)c2ncccc12 ZINC000032591278 820974294 /nfs/dbraw/zinc/97/42/94/820974294.db2.gz FNCGWIDWJBFILA-UHFFFAOYSA-N -1 1 384.404 4.489 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F ZINC000032591329 820974444 /nfs/dbraw/zinc/97/44/44/820974444.db2.gz XWHAZXDKBCCVQQ-UHFFFAOYSA-N -1 1 388.420 4.168 20 0 GIADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)c1 ZINC000032599947 820975900 /nfs/dbraw/zinc/97/59/00/820975900.db2.gz QQIUDBDZIPHXEP-UHFFFAOYSA-N -1 1 379.478 4.074 20 0 GIADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C(C)C)c1 ZINC000032600885 820976039 /nfs/dbraw/zinc/97/60/39/820976039.db2.gz UJMBYMVSRMCDRW-UHFFFAOYSA-N -1 1 395.546 4.138 20 0 GIADMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000032740161 821001835 /nfs/dbraw/zinc/00/18/35/821001835.db2.gz AOYITLSGWSZFLE-UHFFFAOYSA-N -1 1 377.444 4.005 20 0 GIADMM CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401327 823523794 /nfs/dbraw/zinc/52/37/94/823523794.db2.gz WEZPNIRVOUAJFY-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM Cc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000060401396 823523889 /nfs/dbraw/zinc/52/38/89/823523889.db2.gz SCNRQSALOGVURN-UHFFFAOYSA-N -1 1 394.496 4.367 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1OC ZINC000460822653 823522415 /nfs/dbraw/zinc/52/24/15/823522415.db2.gz MKPZWKCSQVYUAY-UHFFFAOYSA-N -1 1 395.546 4.455 20 0 GIADMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460824643 823523076 /nfs/dbraw/zinc/52/30/76/823523076.db2.gz XXVQLLYOTOGGJY-UHFFFAOYSA-N -1 1 375.490 4.107 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c2)cc1 ZINC000033181523 821044302 /nfs/dbraw/zinc/04/43/02/821044302.db2.gz VWXWAXPTJSYFAN-VQIMIIECSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123643386 823528721 /nfs/dbraw/zinc/52/87/21/823528721.db2.gz HCTYQJJNZPXVGI-ZWKOTPCHSA-N -1 1 396.468 4.131 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000460833068 823524835 /nfs/dbraw/zinc/52/48/35/823524835.db2.gz CTUQNLXBQFVRBW-UHFFFAOYSA-N -1 1 386.517 4.237 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1Cl ZINC000460838198 823526005 /nfs/dbraw/zinc/52/60/05/823526005.db2.gz VTWWLNXTUNAUIE-UHFFFAOYSA-N -1 1 379.787 4.254 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000123709624 823534004 /nfs/dbraw/zinc/53/40/04/823534004.db2.gz RELHILXXUPBHMA-UHFFFAOYSA-N -1 1 387.789 4.300 20 0 GIADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)c1cccc2ccccc21 ZINC000060520628 823537989 /nfs/dbraw/zinc/53/79/89/823537989.db2.gz HCPWRCDYXSPBCZ-MRXNPFEDSA-N -1 1 389.455 4.442 20 0 GIADMM O=C([N-]CCCSCc1coc(-c2cccc(Cl)c2)n1)C(F)(F)F ZINC000180780269 821453335 /nfs/dbraw/zinc/45/33/35/821453335.db2.gz KUNKUCISKSKDMS-UHFFFAOYSA-N -1 1 378.803 4.297 20 0 GIADMM CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000044483978 821590775 /nfs/dbraw/zinc/59/07/75/821590775.db2.gz XBAZGBGGEAVLDZ-UHFFFAOYSA-N -1 1 399.082 4.189 20 0 GIADMM Cc1c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)sc2cccc(F)c12 ZINC000181053862 821612319 /nfs/dbraw/zinc/61/23/19/821612319.db2.gz GTJMZQHKRGHGIK-UHFFFAOYSA-N -1 1 396.440 4.112 20 0 GIADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000181201493 821693514 /nfs/dbraw/zinc/69/35/14/821693514.db2.gz NUSRORJZKAPRKG-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000181319214 821756728 /nfs/dbraw/zinc/75/67/28/821756728.db2.gz UFCCUWPIDYHQQS-UHFFFAOYSA-N -1 1 383.416 4.146 20 0 GIADMM [O-]c1c(Br)cccc1CNc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000181716607 821958323 /nfs/dbraw/zinc/95/83/23/821958323.db2.gz UXKYQQDQSUJCEC-UHFFFAOYSA-N -1 1 394.656 4.394 20 0 GIADMM CCCn1c2ccccc2nc1C[N-]c1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000181755457 821977767 /nfs/dbraw/zinc/97/77/67/821977767.db2.gz LGZRKGYRPUKHJT-SFHVURJKSA-N -1 1 375.432 4.118 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000182052231 822075034 /nfs/dbraw/zinc/07/50/34/822075034.db2.gz RNRPJRLBGZIMSE-WFASDCNBSA-N -1 1 385.407 4.201 20 0 GIADMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182159335 822123130 /nfs/dbraw/zinc/12/31/30/822123130.db2.gz LYGLQQQILYKGBE-UHFFFAOYSA-N -1 1 397.485 4.103 20 0 GIADMM CCC(CC)N(CC(C)C)C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000178015555 822282995 /nfs/dbraw/zinc/28/29/95/822282995.db2.gz DASFVBMCQACBBC-UHFFFAOYSA-N -1 1 390.553 4.289 20 0 GIADMM CCc1noc(C)c1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182678672 822348841 /nfs/dbraw/zinc/34/88/41/822348841.db2.gz BECZTHOVCXCGAA-UHFFFAOYSA-N -1 1 394.200 4.354 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2coc(-c3cccs3)n2)c1 ZINC000182909257 822390848 /nfs/dbraw/zinc/39/08/48/822390848.db2.gz GZQVVRLDYLJJKX-UHFFFAOYSA-N -1 1 393.262 4.361 20 0 GIADMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182910992 822391420 /nfs/dbraw/zinc/39/14/20/822391420.db2.gz HJLWXKFRPVSLRK-UHFFFAOYSA-N -1 1 394.313 4.114 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 ZINC000182928989 822394716 /nfs/dbraw/zinc/39/47/16/822394716.db2.gz GPZZWOKQSQUECW-UHFFFAOYSA-N -1 1 392.297 4.445 20 0 GIADMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC[C@@H]1c1ccccc1 ZINC000045788119 822413745 /nfs/dbraw/zinc/41/37/45/822413745.db2.gz SVVUBDIZIKYRPM-OAQYLSRUSA-N -1 1 392.480 4.075 20 0 GIADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(Br)c([O-])c1 ZINC000179147147 822443747 /nfs/dbraw/zinc/44/37/47/822443747.db2.gz AVIZQWMAIWNJDQ-ZDUSSCGKSA-N -1 1 382.641 4.062 20 0 GIADMM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc(F)c([O-])c(F)c1 ZINC000183442913 822475626 /nfs/dbraw/zinc/47/56/26/822475626.db2.gz OSLISSFXEFQFOM-UHFFFAOYSA-N -1 1 392.365 4.375 20 0 GIADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(F)c(F)c([O-])c4F)C3)[nH]c2c1 ZINC000183462029 822478760 /nfs/dbraw/zinc/47/87/60/822478760.db2.gz NVWBAWUBKRWYFT-LLVKDONJSA-N -1 1 389.377 4.014 20 0 GIADMM O=C(CCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588378 822488919 /nfs/dbraw/zinc/48/89/19/822488919.db2.gz JLZJJHQEVROMAF-UHFFFAOYSA-N -1 1 398.459 4.198 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2ccccc2o1 ZINC000046588358 822489041 /nfs/dbraw/zinc/48/90/41/822489041.db2.gz LASYUMSHBQBAAR-UHFFFAOYSA-N -1 1 392.436 4.486 20 0 GIADMM O=C(CCCc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611911 822492238 /nfs/dbraw/zinc/49/22/38/822492238.db2.gz NVKLWIFIMLVDDJ-UHFFFAOYSA-N -1 1 394.496 4.449 20 0 GIADMM O=C(/C=C/c1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046779635 822516458 /nfs/dbraw/zinc/51/64/58/822516458.db2.gz RTZMNLNOOJRGAU-CCEZHUSRSA-N -1 1 378.453 4.139 20 0 GIADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000179693954 822528878 /nfs/dbraw/zinc/52/88/78/822528878.db2.gz LGSJOMPVGWSUMH-SFHVURJKSA-N -1 1 399.491 4.445 20 0 GIADMM CC[C@@H](C)CN(CC)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179716251 822533871 /nfs/dbraw/zinc/53/38/71/822533871.db2.gz BNAKWJHAGCNOHC-LLVKDONJSA-N -1 1 376.375 4.011 20 0 GIADMM CC[C@H](C)CN(CC)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179716265 822533915 /nfs/dbraw/zinc/53/39/15/822533915.db2.gz BNAKWJHAGCNOHC-NSHDSACASA-N -1 1 376.375 4.011 20 0 GIADMM Cc1scc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000179752830 822543055 /nfs/dbraw/zinc/54/30/55/822543055.db2.gz YCNOXLGKENKZTP-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179916190 822576388 /nfs/dbraw/zinc/57/63/88/822576388.db2.gz AAIPGGQOIZZBOF-CTNGQTDRSA-N -1 1 379.431 4.413 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1C ZINC000047417212 822577493 /nfs/dbraw/zinc/57/74/93/822577493.db2.gz NMYKDDFOHAUCOV-UHFFFAOYSA-N -1 1 377.516 4.107 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000184148829 822585934 /nfs/dbraw/zinc/58/59/34/822585934.db2.gz IWIJRKDTSUQBTN-UZLBHIALSA-N -1 1 399.516 4.284 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)c(C)c1 ZINC000047521434 822586729 /nfs/dbraw/zinc/58/67/29/822586729.db2.gz ZQYSMBFMDUPAIQ-UHFFFAOYSA-N -1 1 387.505 4.040 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000180145204 822625918 /nfs/dbraw/zinc/62/59/18/822625918.db2.gz KNOWKWVSTCWAKZ-UHFFFAOYSA-N -1 1 381.404 4.089 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000180210048 822639972 /nfs/dbraw/zinc/63/99/72/822639972.db2.gz MYJUBZSFFCPUIO-UHFFFAOYSA-N -1 1 393.679 4.354 20 0 GIADMM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)[nH]c21 ZINC000180257412 822649448 /nfs/dbraw/zinc/64/94/48/822649448.db2.gz GNKRJYIKTWSBJC-UHFFFAOYSA-N -1 1 397.740 4.274 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000180432919 822680889 /nfs/dbraw/zinc/68/08/89/822680889.db2.gz OXQOESOFAYUBCM-UHFFFAOYSA-N -1 1 382.357 4.267 20 0 GIADMM N#CC(=C([O-])c1ccc(CN2CCCCC2=O)cc1)c1nc2ccccc2s1 ZINC000048824385 822684491 /nfs/dbraw/zinc/68/44/91/822684491.db2.gz CLVHJHYTCNFHQR-KRWDZBQOSA-N -1 1 389.480 4.299 20 0 GIADMM COc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c([O-])c1 ZINC000184855382 822701095 /nfs/dbraw/zinc/70/10/95/822701095.db2.gz RVDDPKBCLPGKJO-UHFFFAOYSA-N -1 1 379.347 4.444 20 0 GIADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000180594797 822707934 /nfs/dbraw/zinc/70/79/34/822707934.db2.gz WSARDRFOWMNWKP-GTNSWQLSSA-N -1 1 383.341 4.152 20 0 GIADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000184901292 822710107 /nfs/dbraw/zinc/71/01/07/822710107.db2.gz PUXBZVFRDFYRRS-UHFFFAOYSA-N -1 1 377.857 4.406 20 0 GIADMM Cc1ccc(NC(=O)N(C)CC2CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455777539 822724792 /nfs/dbraw/zinc/72/47/92/822724792.db2.gz UAZRXUOKHBJKMH-UHFFFAOYSA-N -1 1 387.505 4.060 20 0 GIADMM CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000455779734 822725195 /nfs/dbraw/zinc/72/51/95/822725195.db2.gz WGSUTCWMSWZCKH-MRXNPFEDSA-N -1 1 387.505 4.060 20 0 GIADMM Cc1cc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)n1C1CC1 ZINC000185050351 822729446 /nfs/dbraw/zinc/72/94/46/822729446.db2.gz IVWDJOKYNBWZGS-UHFFFAOYSA-N -1 1 393.512 4.474 20 0 GIADMM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185058907 822730716 /nfs/dbraw/zinc/73/07/16/822730716.db2.gz OZJABVKLXWLKMH-MRXNPFEDSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000050534802 822733059 /nfs/dbraw/zinc/73/30/59/822733059.db2.gz PWNNZYYNISMPEO-UHFFFAOYSA-N -1 1 382.938 4.002 20 0 GIADMM C[C@@H](NCc1cscn1)c1cc(Br)cc(Br)c1[O-] ZINC000185246503 822754280 /nfs/dbraw/zinc/75/42/80/822754280.db2.gz YKYPDCUPNAAEAZ-SSDOTTSWSA-N -1 1 392.116 4.225 20 0 GIADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000174340164 822774715 /nfs/dbraw/zinc/77/47/15/822774715.db2.gz ZDJLVZKWKSRWCA-WMLDXEAASA-N -1 1 388.537 4.043 20 0 GIADMM CCSCC[C@H](C)N(C)C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000174349891 822776458 /nfs/dbraw/zinc/77/64/58/822776458.db2.gz BBWMTWZFJUZEQS-LBPRGKRZSA-N -1 1 398.985 4.251 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000174370947 822779402 /nfs/dbraw/zinc/77/94/02/822779402.db2.gz GIXIZGYLSMDGOZ-UTKZUKDTSA-N -1 1 398.528 4.201 20 0 GIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000185652535 822807083 /nfs/dbraw/zinc/80/70/83/822807083.db2.gz ZFNLFBOOZHNHCA-RUZDIDTESA-N -1 1 385.510 4.033 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1NC(=O)C(C)(C)C ZINC000174718950 822828016 /nfs/dbraw/zinc/82/80/16/822828016.db2.gz UPRZPZNDLNJOKV-UHFFFAOYSA-N -1 1 378.469 4.228 20 0 GIADMM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456793785 822831716 /nfs/dbraw/zinc/83/17/16/822831716.db2.gz OMQOJYHKJDQEHA-QGHHPUGFSA-N -1 1 396.821 4.107 20 0 GIADMM CCC[C@H]1CCCC[C@H]1CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000456844351 822837539 /nfs/dbraw/zinc/83/75/39/822837539.db2.gz SOECOXUIQLVFBS-ROUUACIJSA-N -1 1 396.535 4.208 20 0 GIADMM O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000053793558 822848153 /nfs/dbraw/zinc/84/81/53/822848153.db2.gz UCNQYRVYJLSUAA-UHFFFAOYSA-N -1 1 396.874 4.122 20 0 GIADMM Cc1ccc(CN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)C2CC2)o1 ZINC000053989676 822855859 /nfs/dbraw/zinc/85/58/59/822855859.db2.gz OPNWWPNDTQQQHM-UHFFFAOYSA-N -1 1 396.516 4.399 20 0 GIADMM O=C([O-])CC1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000568992633 822868014 /nfs/dbraw/zinc/86/80/14/822868014.db2.gz SUAXXANSWHETIH-HXUWFJFHSA-N -1 1 377.444 4.013 20 0 GIADMM COCCOc1ccccc1N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186426782 822893178 /nfs/dbraw/zinc/89/31/78/822893178.db2.gz MKDOXCAKEKXKPS-LLVKDONJSA-N -1 1 384.245 4.492 20 0 GIADMM CCc1nc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)[n-]c(=O)c1C ZINC000569238027 822895452 /nfs/dbraw/zinc/89/54/52/822895452.db2.gz ODYYMEYSAYVXOZ-UHFFFAOYSA-N -1 1 384.480 4.159 20 0 GIADMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc21 ZINC000569284812 822901287 /nfs/dbraw/zinc/90/12/87/822901287.db2.gz QDTSRHBUFHKUMU-UHFFFAOYSA-N -1 1 394.443 4.114 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccnc3C)cc2)cc1C ZINC000175212081 822905487 /nfs/dbraw/zinc/90/54/87/822905487.db2.gz ZMMOFSKMSBRREW-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000569470236 822927047 /nfs/dbraw/zinc/92/70/47/822927047.db2.gz CUCSZAMJGMZXQC-MRXNPFEDSA-N -1 1 397.519 4.272 20 0 GIADMM CO[C@@H](c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)c1cccc(Cl)c1 ZINC000569505522 822931003 /nfs/dbraw/zinc/93/10/03/822931003.db2.gz SKLFBXFMKZBGFO-GOSISDBHSA-N -1 1 394.818 4.080 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC000186697444 822939625 /nfs/dbraw/zinc/93/96/25/822939625.db2.gz WTZBFORIVJNELO-SCLBCKFNSA-N -1 1 375.852 4.047 20 0 GIADMM CCCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055315441 822951154 /nfs/dbraw/zinc/95/11/54/822951154.db2.gz YCWWLWZENNROFS-UHFFFAOYSA-N -1 1 381.472 4.306 20 0 GIADMM Cc1ccc(C(C)C)c(OCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055315396 822951167 /nfs/dbraw/zinc/95/11/67/822951167.db2.gz PCNJJWIEBCHJLQ-UHFFFAOYSA-N -1 1 395.499 4.324 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)cc(Cl)c1[O-] ZINC000186773617 822953294 /nfs/dbraw/zinc/95/32/94/822953294.db2.gz CABPEMIUPWHXNC-ACJLOTCBSA-N -1 1 375.852 4.047 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(N2CCCCC2)c1 ZINC000055367963 822954811 /nfs/dbraw/zinc/95/48/11/822954811.db2.gz WGTDRQDYRWEBPV-UHFFFAOYSA-N -1 1 399.545 4.298 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000186833676 822963876 /nfs/dbraw/zinc/96/38/76/822963876.db2.gz XOQSNJYJWBGWER-XIKOKIGWSA-N -1 1 393.842 4.186 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2csc([C@@H](C)OCC)n2)cc(Cl)c1[O-] ZINC000186837713 822964810 /nfs/dbraw/zinc/96/48/10/822964810.db2.gz AATQXOKWIXJTIE-LLVKDONJSA-N -1 1 398.912 4.271 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc(Cl)c1[O-] ZINC000186846785 822966728 /nfs/dbraw/zinc/96/67/28/822966728.db2.gz FCMIDFJRALHUAY-QDXKXIGTSA-N -1 1 395.908 4.015 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](CC4CC4)C3)c2)c1 ZINC000569843008 822975134 /nfs/dbraw/zinc/97/51/34/822975134.db2.gz RSUUTMPNCQKOKC-GOSISDBHSA-N -1 1 398.528 4.058 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c2ccccc12 ZINC000055620957 822988948 /nfs/dbraw/zinc/98/89/48/822988948.db2.gz UANGERGOHAFBDR-UHFFFAOYSA-N -1 1 396.468 4.330 20 0 GIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000055622209 822989384 /nfs/dbraw/zinc/98/93/84/822989384.db2.gz VGLLNEITVYBCRD-UHFFFAOYSA-N -1 1 396.881 4.216 20 0 GIADMM COc1ccc(CN(C(=O)c2ccc(C)cc2[O-])c2nccs2)c(OC)c1 ZINC000175554791 822996235 /nfs/dbraw/zinc/99/62/35/822996235.db2.gz KXDLVOCGXIFMFL-UHFFFAOYSA-N -1 1 384.457 4.021 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1Br ZINC000187062591 823005453 /nfs/dbraw/zinc/00/54/53/823005453.db2.gz PCYVHKABMPXQGP-UHFFFAOYSA-N -1 1 384.295 4.189 20 0 GIADMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000570121240 823007619 /nfs/dbraw/zinc/00/76/19/823007619.db2.gz AREQYHFHDPCDFY-UHFFFAOYSA-N -1 1 377.416 4.134 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1C ZINC000570464310 823041109 /nfs/dbraw/zinc/04/11/09/823041109.db2.gz PEQRCCCEXYHBJH-SNVBAGLBSA-N -1 1 385.411 4.191 20 0 GIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000190147314 823543004 /nfs/dbraw/zinc/54/30/04/823543004.db2.gz HNSKWBFQUOYDRP-UHFFFAOYSA-N -1 1 394.496 4.089 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)[C@@H]3C3CC3)c2)cc1 ZINC000460967190 823552475 /nfs/dbraw/zinc/55/24/75/823552475.db2.gz YGNOAXKUBGQCHL-FQEVSTJZSA-N -1 1 398.528 4.056 20 0 GIADMM O=S(=O)([N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccc(F)cc1 ZINC000060738721 823554698 /nfs/dbraw/zinc/55/46/98/823554698.db2.gz JKLMVKJOYMXTNV-UHFFFAOYSA-N -1 1 385.395 4.309 20 0 GIADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1OC ZINC000190290296 823559588 /nfs/dbraw/zinc/55/95/88/823559588.db2.gz IEJOZSMTNGMWMS-UHFFFAOYSA-N -1 1 398.214 4.090 20 0 GIADMM CCN(Cc1ccccc1)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000061039248 823575016 /nfs/dbraw/zinc/57/50/16/823575016.db2.gz VTETYEHVWFENCK-UHFFFAOYSA-N -1 1 380.517 4.355 20 0 GIADMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cc21 ZINC000461109353 823579236 /nfs/dbraw/zinc/57/92/36/823579236.db2.gz BPQAXXHSGILMOF-UHFFFAOYSA-N -1 1 395.811 4.350 20 0 GIADMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000461117809 823580748 /nfs/dbraw/zinc/58/07/48/823580748.db2.gz AOPVAACIGAENBZ-UHFFFAOYSA-N -1 1 381.925 4.455 20 0 GIADMM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc2ccccc2cc1[O-] ZINC000124368634 823590829 /nfs/dbraw/zinc/59/08/29/823590829.db2.gz IERBKVMBIIEIED-UHFFFAOYSA-N -1 1 389.455 4.103 20 0 GIADMM C[C@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nn[n-]n1 ZINC000124393335 823593071 /nfs/dbraw/zinc/59/30/71/823593071.db2.gz CSJATWRNPSREOU-SECBINFHSA-N -1 1 396.303 4.111 20 0 GIADMM O=C(CCOc1ccccc1)N[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000061479052 823599524 /nfs/dbraw/zinc/59/95/24/823599524.db2.gz HVMSAQROSLZERG-UHFFFAOYSA-N -1 1 396.493 4.346 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)cc2)c1C ZINC000461223343 823601107 /nfs/dbraw/zinc/60/11/07/823601107.db2.gz WVMJGPXHYAVAAF-UHFFFAOYSA-N -1 1 393.871 4.391 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)ccc1F ZINC000190718934 823601740 /nfs/dbraw/zinc/60/17/40/823601740.db2.gz ZHEODDRXDVGQNX-UHFFFAOYSA-N -1 1 378.450 4.067 20 0 GIADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])CC[C@@H]1C(F)(F)F ZINC000190749012 823604966 /nfs/dbraw/zinc/60/49/66/823604966.db2.gz UGAIMMSQIZATCX-LBPRGKRZSA-N -1 1 380.204 4.205 20 0 GIADMM CCC[C@@H]1SCCN1C(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000124565726 823606973 /nfs/dbraw/zinc/60/69/73/823606973.db2.gz FDRLSPUPTUBXLQ-INIZCTEOSA-N -1 1 376.551 4.008 20 0 GIADMM CC[C@]1(C)C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412284915 823642772 /nfs/dbraw/zinc/64/27/72/823642772.db2.gz DZGFMCFQSZAJBO-WPPNPWJKSA-N -1 1 377.076 4.292 20 0 GIADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc([O-])c(Br)cc1Br ZINC000412294895 823643888 /nfs/dbraw/zinc/64/38/88/823643888.db2.gz XFPPEGDQJJBTHU-VGMNWLOBSA-N -1 1 389.087 4.292 20 0 GIADMM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000190839525 823614870 /nfs/dbraw/zinc/61/48/70/823614870.db2.gz VVHOJRVZBOJUNQ-QGZVFWFLSA-N -1 1 375.428 4.296 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000190933516 823626539 /nfs/dbraw/zinc/62/65/39/823626539.db2.gz IMSMEALZCBSTDI-UHFFFAOYSA-N -1 1 394.880 4.406 20 0 GIADMM COc1cccc(Cc2nnc(NC(=O)Nc3ccc([O-])c(Cl)c3)s2)c1 ZINC000190962135 823631048 /nfs/dbraw/zinc/63/10/48/823631048.db2.gz SFJKBUXFJRBDDO-UHFFFAOYSA-N -1 1 390.852 4.141 20 0 GIADMM CCCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000461430065 823635373 /nfs/dbraw/zinc/63/53/73/823635373.db2.gz SMJDPAWBXUMHRS-OAHLLOKOSA-N -1 1 392.496 4.277 20 0 GIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1OC ZINC000191082724 823646450 /nfs/dbraw/zinc/64/64/50/823646450.db2.gz KXLCZISZRFEBNT-UHFFFAOYSA-N -1 1 379.457 4.070 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000063181217 823654627 /nfs/dbraw/zinc/65/46/27/823654627.db2.gz MLNXOISSDYUAGY-UHFFFAOYSA-N -1 1 380.897 4.496 20 0 GIADMM CC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2[O-])ccc1Cl ZINC000063334577 823663761 /nfs/dbraw/zinc/66/37/61/823663761.db2.gz GBBOWJZATUCNKN-UHFFFAOYSA-N -1 1 383.629 4.019 20 0 GIADMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000191278516 823666576 /nfs/dbraw/zinc/66/65/76/823666576.db2.gz BYLHCPMZOCPGDT-UHFFFAOYSA-N -1 1 388.533 4.265 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000063816342 823699194 /nfs/dbraw/zinc/69/91/94/823699194.db2.gz YNWCJMIXYZMHSS-UHFFFAOYSA-N -1 1 396.516 4.480 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000125787786 823710766 /nfs/dbraw/zinc/71/07/66/823710766.db2.gz KQJSHBVZZQPOJT-UHFFFAOYSA-N -1 1 376.206 4.183 20 0 GIADMM COc1ccc(Br)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125844451 823726804 /nfs/dbraw/zinc/72/68/04/823726804.db2.gz XGMAIFYTFYKONA-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1ccc(-c2noc(CSc3nc(-c4ccccc4)c(C)c(=O)[n-]3)n2)cc1 ZINC000163881563 823756750 /nfs/dbraw/zinc/75/67/50/823756750.db2.gz VGESGBSGNMERPR-UHFFFAOYSA-N -1 1 390.468 4.396 20 0 GIADMM Cc1c(=O)[n-]c(SCCC(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000163885509 823757085 /nfs/dbraw/zinc/75/70/85/823757085.db2.gz QDWCNMXUWUXEBA-UHFFFAOYSA-N -1 1 383.448 4.005 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nnc(-c3ccccc3)o2)nc1-c1ccccc1 ZINC000163891015 823757573 /nfs/dbraw/zinc/75/75/73/823757573.db2.gz GPFDMNAHJXAYAL-UHFFFAOYSA-N -1 1 376.441 4.088 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000064292821 823786811 /nfs/dbraw/zinc/78/68/11/823786811.db2.gz GJJPJFINHAMJOG-UHFFFAOYSA-N -1 1 396.896 4.143 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1 ZINC000064477184 823826786 /nfs/dbraw/zinc/82/67/86/823826786.db2.gz IKEVSNAPLPYLRD-UHFFFAOYSA-N -1 1 394.518 4.414 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000064476520 823826807 /nfs/dbraw/zinc/82/68/07/823826807.db2.gz JQINMFGILOBUEI-UHFFFAOYSA-N -1 1 395.556 4.212 20 0 GIADMM CC(C)c1c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cnn1-c1ccccc1 ZINC000192154349 823882801 /nfs/dbraw/zinc/88/28/01/823882801.db2.gz GCMJMDQRCRNOEM-UHFFFAOYSA-N -1 1 395.484 4.171 20 0 GIADMM O=C([O-])c1ccc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000575131063 823919606 /nfs/dbraw/zinc/91/96/06/823919606.db2.gz SCCFRCXJKIFSPN-HNNXBMFYSA-N -1 1 387.480 4.253 20 0 GIADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC2CCOCC2)c(C)c1 ZINC000414374006 823968017 /nfs/dbraw/zinc/96/80/17/823968017.db2.gz NIGIBBIRMDORGJ-UHFFFAOYSA-N -1 1 395.908 4.315 20 0 GIADMM Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c1C(F)F ZINC000414376393 823968773 /nfs/dbraw/zinc/96/87/73/823968773.db2.gz UKCFDUIEGGRFSH-UHFFFAOYSA-N -1 1 385.770 4.058 20 0 GIADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000414378191 823969003 /nfs/dbraw/zinc/96/90/03/823969003.db2.gz GEMQJAOTRIFJNA-MRXNPFEDSA-N -1 1 391.880 4.177 20 0 GIADMM O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000192570188 824034940 /nfs/dbraw/zinc/03/49/40/824034940.db2.gz YZDOWZUJCJXVNA-UHFFFAOYSA-N -1 1 397.434 4.123 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2cccc3ncccc32)cccc1OCC(F)(F)F ZINC000171024242 824040981 /nfs/dbraw/zinc/04/09/81/824040981.db2.gz LVUQXUQJVKQMOJ-UHFFFAOYSA-N -1 1 396.390 4.285 20 0 GIADMM CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000004879307 220782249 /nfs/dbraw/zinc/78/22/49/220782249.db2.gz BNNOLLLQOYVRNV-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM C[C@H]1CCCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000187727768 823120711 /nfs/dbraw/zinc/12/07/11/823120711.db2.gz WLMNMRBGHHFGIO-INIZCTEOSA-N -1 1 387.505 4.141 20 0 GIADMM O=C([O-])[C@@H]1CC12CCN([C@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000571053317 823125626 /nfs/dbraw/zinc/12/56/26/823125626.db2.gz IHSUKZQBIJCPCM-OALUTQOASA-N -1 1 389.455 4.013 20 0 GIADMM O=C([O-])[C@H]1CC12CCN([C@@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000571053321 823125651 /nfs/dbraw/zinc/12/56/51/823125651.db2.gz IHSUKZQBIJCPCM-RTBURBONSA-N -1 1 389.455 4.013 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000176138698 823133524 /nfs/dbraw/zinc/13/35/24/823133524.db2.gz NIAZVZLVCGPKLL-HNNXBMFYSA-N -1 1 398.454 4.153 20 0 GIADMM Cc1ccccc1-c1cnc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)o1 ZINC000571150681 823141324 /nfs/dbraw/zinc/14/13/24/823141324.db2.gz RMGCBSHCOBNMQJ-UHFFFAOYSA-N -1 1 397.431 4.153 20 0 GIADMM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)o1 ZINC000571150681 823141326 /nfs/dbraw/zinc/14/13/26/823141326.db2.gz RMGCBSHCOBNMQJ-UHFFFAOYSA-N -1 1 397.431 4.153 20 0 GIADMM CCc1sc(-c2nnc(CSc3nc(C(F)F)cc(=O)[n-]3)o2)cc1C ZINC000571209785 823149111 /nfs/dbraw/zinc/14/91/11/823149111.db2.gz MICAOFDCZWBCQX-UHFFFAOYSA-N -1 1 384.433 4.394 20 0 GIADMM O=C(Nc1ccsc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000187884560 823152353 /nfs/dbraw/zinc/15/23/53/823152353.db2.gz ZNWJHNYCYCMRCX-UHFFFAOYSA-N -1 1 392.889 4.455 20 0 GIADMM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000571291767 823161035 /nfs/dbraw/zinc/16/10/35/823161035.db2.gz TUPHTRUDEHDLGW-SFHVURJKSA-N -1 1 391.389 4.426 20 0 GIADMM C[C@@H]1CC2(CCC2)CN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000571360802 823170779 /nfs/dbraw/zinc/17/07/79/823170779.db2.gz PTUJXCCETMERHT-MRXNPFEDSA-N -1 1 399.516 4.284 20 0 GIADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(SC(F)(F)F)cc2)[n-]c1=O ZINC000188021321 823173400 /nfs/dbraw/zinc/17/34/00/823173400.db2.gz BLNFGMTYOBTGKT-CSKARUKUSA-N -1 1 384.379 4.119 20 0 GIADMM CCc1nc(S[C@@H](C(=O)OC)c2ccccc2C(F)(F)F)[n-]c(=O)c1C ZINC000571417954 823180101 /nfs/dbraw/zinc/18/01/01/823180101.db2.gz HNDLKFOPLKFXFC-CYBMUJFWSA-N -1 1 386.395 4.078 20 0 GIADMM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000121623340 823218065 /nfs/dbraw/zinc/21/80/65/823218065.db2.gz IFZXRWJLCLFFBK-UHFFFAOYSA-N -1 1 391.290 4.415 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000571692021 823219805 /nfs/dbraw/zinc/21/98/05/823219805.db2.gz XTTJCDIFCGNROL-UHFFFAOYSA-N -1 1 385.489 4.201 20 0 GIADMM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1ncc(F)cc1F ZINC000571718693 823224291 /nfs/dbraw/zinc/22/42/91/823224291.db2.gz LXGLBGVBVDRUGV-UHFFFAOYSA-N -1 1 388.395 4.436 20 0 GIADMM Cc1cncc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC000176586894 823242496 /nfs/dbraw/zinc/24/24/96/823242496.db2.gz GXSPKGFAOKPPDN-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cc(C)c(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)o1 ZINC000176587613 823242765 /nfs/dbraw/zinc/24/27/65/823242765.db2.gz LKGNKXWBDSPVJJ-UHFFFAOYSA-N -1 1 380.425 4.218 20 0 GIADMM COc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000176677159 823264964 /nfs/dbraw/zinc/26/49/64/823264964.db2.gz IHWCPLOVWPVVKL-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000003549402 817483301 /nfs/dbraw/zinc/48/33/01/817483301.db2.gz SNGZQUVOJFIFBS-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)cc1 ZINC000003569885 817487471 /nfs/dbraw/zinc/48/74/71/817487471.db2.gz RHZGUQBBMPBVRW-UHFFFAOYSA-N -1 1 386.517 4.248 20 0 GIADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000176687164 823268124 /nfs/dbraw/zinc/26/81/24/823268124.db2.gz ZIVIJAZZDUCYJJ-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM CCc1nc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)[n-]c(=O)c1C ZINC000572016792 823269732 /nfs/dbraw/zinc/26/97/32/823269732.db2.gz LWIFMBNZIKQOPI-GOSISDBHSA-N -1 1 385.533 4.149 20 0 GIADMM O=C(C=Cc1ccco1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171360 817556672 /nfs/dbraw/zinc/55/66/72/817556672.db2.gz UUQGBXCJSSZIOH-CMDGGOBGSA-N -1 1 378.409 4.001 20 0 GIADMM Cc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)s1 ZINC000005171341 817556696 /nfs/dbraw/zinc/55/66/96/817556696.db2.gz HBUKNXZIZCOEND-UHFFFAOYSA-N -1 1 382.466 4.379 20 0 GIADMM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000121901994 823273618 /nfs/dbraw/zinc/27/36/18/823273618.db2.gz KYERIVJWJVMUQJ-UHFFFAOYSA-N -1 1 381.775 4.092 20 0 GIADMM COc1cc(CN(C)C(=O)c2cc3ccccc3cc2[O-])ccc1OC(F)F ZINC000005974122 817634600 /nfs/dbraw/zinc/63/46/00/817634600.db2.gz ZCCJFNRBBHSNAT-UHFFFAOYSA-N -1 1 387.382 4.428 20 0 GIADMM O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)c2ccc([O-])cc2o1 ZINC000006326719 817677028 /nfs/dbraw/zinc/67/70/28/817677028.db2.gz CNQAAZDEJUDVOF-UHFFFAOYSA-N -1 1 386.816 4.494 20 0 GIADMM O=c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccc([O-])cc2o1 ZINC000006549642 817704154 /nfs/dbraw/zinc/70/41/54/817704154.db2.gz JHJTWZYHTXKVOL-UHFFFAOYSA-N -1 1 391.452 4.249 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1C ZINC000007051619 817747429 /nfs/dbraw/zinc/74/74/29/817747429.db2.gz FWJOZZKPGNSAME-UHFFFAOYSA-N -1 1 396.516 4.089 20 0 GIADMM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121974486 823287329 /nfs/dbraw/zinc/28/73/29/823287329.db2.gz IFOOXNPMYKIIPZ-UHFFFAOYSA-N -1 1 382.338 4.020 20 0 GIADMM COc1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc(Cl)c1[O-] ZINC000460126549 823289963 /nfs/dbraw/zinc/28/99/63/823289963.db2.gz GSMDWBUIMPUONI-UHFFFAOYSA-N -1 1 392.185 4.239 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000007362245 817824692 /nfs/dbraw/zinc/82/46/92/817824692.db2.gz UPPATOJSGNJGFI-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000007362240 817824784 /nfs/dbraw/zinc/82/47/84/817824784.db2.gz XBKLCTYRHQKXLI-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)CCCCOC)cc1 ZINC000572211996 823301454 /nfs/dbraw/zinc/30/14/54/823301454.db2.gz ORAXRVHZEXSDIB-UHFFFAOYSA-N -1 1 379.478 4.046 20 0 GIADMM CC[C@@H](C)c1ccccc1OCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000012906111 818192531 /nfs/dbraw/zinc/19/25/31/818192531.db2.gz XHRHZERPGALCDD-CQSZACIVSA-N -1 1 382.412 4.134 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3ccccc3)cc2)c(=O)[n-]1 ZINC000014212877 818228283 /nfs/dbraw/zinc/22/82/83/818228283.db2.gz ZRICLHZBLMOUHV-UHFFFAOYSA-N -1 1 379.485 4.039 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000015340031 818314621 /nfs/dbraw/zinc/31/46/21/818314621.db2.gz MVUSWBVPPLGFMJ-KRWDZBQOSA-N -1 1 394.496 4.287 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3)c2)c1 ZINC000015348702 818315175 /nfs/dbraw/zinc/31/51/75/818315175.db2.gz HZGXFQOMOOVAHZ-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000015417892 818323913 /nfs/dbraw/zinc/32/39/13/818323913.db2.gz ZCYAKNXODWEKDN-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)Nc1cccc(C)c1C ZINC000015665367 818357028 /nfs/dbraw/zinc/35/70/28/818357028.db2.gz CCWNTKJFRQOMFS-UHFFFAOYSA-N -1 1 396.541 4.367 20 0 GIADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000176951620 823332979 /nfs/dbraw/zinc/33/29/79/823332979.db2.gz QVOHWHVSJQCRDX-UHFFFAOYSA-N -1 1 381.398 4.123 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3cc(-c4ccncc4)on3)s2)c(C)c1 ZINC000122290685 823333045 /nfs/dbraw/zinc/33/30/45/823333045.db2.gz UGPPQPLIMYRHBE-UHFFFAOYSA-N -1 1 377.429 4.124 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000016039475 818386805 /nfs/dbraw/zinc/38/68/05/818386805.db2.gz WONRHSWPPUEIFJ-VIFPVBQESA-N -1 1 386.304 4.149 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(C)c2)cc1 ZINC000016504127 818450389 /nfs/dbraw/zinc/45/03/89/818450389.db2.gz QIYJDIANDSEARO-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM O=S(=O)([N-]CCc1cccc2[nH]ccc21)c1c(Cl)cc(F)cc1Cl ZINC000409898381 823338998 /nfs/dbraw/zinc/33/89/98/823338998.db2.gz QMCWAPWNWIZVEL-UHFFFAOYSA-N -1 1 387.263 4.135 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCCc1ccccc1 ZINC000017298554 818505856 /nfs/dbraw/zinc/50/58/56/818505856.db2.gz BERDNVSPEWSUCC-UHFFFAOYSA-N -1 1 386.908 4.010 20 0 GIADMM Cc1occc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000020909498 818639589 /nfs/dbraw/zinc/63/95/89/818639589.db2.gz MKUJFCPJUHYFSK-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM CCCCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(OC)cc1 ZINC000021672227 818723929 /nfs/dbraw/zinc/72/39/29/818723929.db2.gz RVHXZVUYQZMXKQ-UHFFFAOYSA-N -1 1 397.500 4.434 20 0 GIADMM Cc1cccc(CC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000177045217 823358320 /nfs/dbraw/zinc/35/83/20/823358320.db2.gz NIFRSPUUMLZBDS-UHFFFAOYSA-N -1 1 390.464 4.246 20 0 GIADMM O=C(CCc1ccsc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022155686 818777762 /nfs/dbraw/zinc/77/77/62/818777762.db2.gz OPUQLORIUZFMLO-UHFFFAOYSA-N -1 1 396.493 4.389 20 0 GIADMM CCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000022265608 818787542 /nfs/dbraw/zinc/78/75/42/818787542.db2.gz VILHVRGBHMKRML-UHFFFAOYSA-N -1 1 380.897 4.013 20 0 GIADMM CCCN(Cc1ccccc1)C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000022745254 818855039 /nfs/dbraw/zinc/85/50/39/818855039.db2.gz QFTWGHIIMSCOBF-UHFFFAOYSA-N -1 1 396.516 4.055 20 0 GIADMM Cc1ccc(-n2cc(CN[C@@H](CC(=O)[O-])c3ccncc3)c(C(C)(C)C)n2)cc1 ZINC000572618440 823370109 /nfs/dbraw/zinc/37/01/09/823370109.db2.gz YQAKBJWGYHMKRV-FQEVSTJZSA-N -1 1 392.503 4.179 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000022931521 818878423 /nfs/dbraw/zinc/87/84/23/818878423.db2.gz VRUUDUYGGSJVQY-TZMCWYRMSA-N -1 1 377.535 4.041 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2c(s1)CCC2 ZINC000058254927 823371894 /nfs/dbraw/zinc/37/18/94/823371894.db2.gz YAMGPGLSTCIXBG-UHFFFAOYSA-N -1 1 398.509 4.290 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024103263 819024751 /nfs/dbraw/zinc/02/47/51/819024751.db2.gz NAFPEZMUUTVJBW-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460429647 823386321 /nfs/dbraw/zinc/38/63/21/823386321.db2.gz NEUMAENXLMUXLG-UHFFFAOYSA-N -1 1 384.505 4.063 20 0 GIADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C)o1 ZINC000189314628 823392533 /nfs/dbraw/zinc/39/25/33/823392533.db2.gz UGPRBHGYOPWQJS-UHFFFAOYSA-N -1 1 399.394 4.192 20 0 GIADMM O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000572745589 823391745 /nfs/dbraw/zinc/39/17/45/823391745.db2.gz BRLJMQTYFLRJRT-UHFFFAOYSA-N -1 1 384.838 4.373 20 0 GIADMM CCC[C@H]1C[C@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CCO1 ZINC000572906924 823417786 /nfs/dbraw/zinc/41/77/86/823417786.db2.gz VDMPOBUKLLQZMT-KOLCDFICSA-N -1 1 376.678 4.342 20 0 GIADMM Cc1nc(-c2ccc(N[C@@H](CCO)c3ccc(Cl)cc3)nc2)[n-]c(=O)c1C ZINC000572914497 823418778 /nfs/dbraw/zinc/41/87/78/823418778.db2.gz SGHDZEDHYPSECL-KRWDZBQOSA-N -1 1 384.867 4.050 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1C(=O)[O-] ZINC000573013365 823433803 /nfs/dbraw/zinc/43/38/03/823433803.db2.gz KBJBNPWNKMYLEC-UHFFFAOYSA-N -1 1 397.880 4.243 20 0 GIADMM CCCCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000025441234 819980521 /nfs/dbraw/zinc/98/05/21/819980521.db2.gz GQSOPOKLCZRXHE-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM C[C@@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573090223 823445904 /nfs/dbraw/zinc/44/59/04/823445904.db2.gz XMRROVYOOSIWFJ-MFMILTCTSA-N -1 1 376.456 4.135 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(C(F)F)cc1)CC2 ZINC000573097891 823446953 /nfs/dbraw/zinc/44/69/53/823446953.db2.gz OTVKUPBUOQETHP-KRWDZBQOSA-N -1 1 391.414 4.216 20 0 GIADMM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000123007793 823447325 /nfs/dbraw/zinc/44/73/25/823447325.db2.gz ZKMBNXRKAQJLAX-UHFFFAOYSA-N -1 1 390.270 4.281 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1OC ZINC000026527957 820108964 /nfs/dbraw/zinc/10/89/64/820108964.db2.gz IWCJZEZTDXDDCA-UHFFFAOYSA-N -1 1 376.261 4.120 20 0 GIADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC(c2ccccc2C)CC1 ZINC000573213738 823466314 /nfs/dbraw/zinc/46/63/14/823466314.db2.gz QCUCMVZTDIZZPD-UHFFFAOYSA-N -1 1 377.488 4.442 20 0 GIADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027698262 820276671 /nfs/dbraw/zinc/27/66/71/820276671.db2.gz RRHFHOLVLXPYAV-JXFKEZNVSA-N -1 1 386.517 4.186 20 0 GIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000027698294 820277043 /nfs/dbraw/zinc/27/70/43/820277043.db2.gz DMERWGSMYADIOR-UZLBHIALSA-N -1 1 386.517 4.186 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2)c1 ZINC000028084366 820310191 /nfs/dbraw/zinc/31/01/91/820310191.db2.gz MKAWZAHYZYUHDN-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000028490781 820339350 /nfs/dbraw/zinc/33/93/50/820339350.db2.gz QTNIMHXKZVXZPW-GOSISDBHSA-N -1 1 390.480 4.031 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000028494228 820340460 /nfs/dbraw/zinc/34/04/60/820340460.db2.gz MBLXJGVQSYYIOB-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000028781539 820357443 /nfs/dbraw/zinc/35/74/43/820357443.db2.gz KRKFUWGYJOQBIN-UHFFFAOYSA-N -1 1 397.452 4.491 20 0 GIADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Cl)cc1Br ZINC000410370628 823477991 /nfs/dbraw/zinc/47/79/91/823477991.db2.gz DNXMTKVHMAAPTH-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)o1 ZINC000029433218 820454519 /nfs/dbraw/zinc/45/45/19/820454519.db2.gz LZEQWDJRYWWHSX-UHFFFAOYSA-N -1 1 393.262 4.213 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000029448021 820457204 /nfs/dbraw/zinc/45/72/04/820457204.db2.gz AGLSCRSZUPMNRD-HNNXBMFYSA-N -1 1 392.496 4.196 20 0 GIADMM CC(C)CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000029699801 820500312 /nfs/dbraw/zinc/50/03/12/820500312.db2.gz PDJNLOGZVIQECM-UHFFFAOYSA-N -1 1 396.896 4.221 20 0 GIADMM CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000410398839 823486503 /nfs/dbraw/zinc/48/65/03/823486503.db2.gz BNAADCZELXNWFQ-UHFFFAOYSA-N -1 1 382.869 4.049 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3)ccc2C)c1 ZINC000029897389 820542906 /nfs/dbraw/zinc/54/29/06/820542906.db2.gz DTOSPKRZZWEXQX-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1 ZINC000410401571 823487481 /nfs/dbraw/zinc/48/74/81/823487481.db2.gz MTDIMHJFHKNKDX-UHFFFAOYSA-N -1 1 392.521 4.113 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)cc1 ZINC000410402672 823488076 /nfs/dbraw/zinc/48/80/76/823488076.db2.gz QIULOFMIOPBVBH-UHFFFAOYSA-N -1 1 375.494 4.046 20 0 GIADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030381001 820608776 /nfs/dbraw/zinc/60/87/76/820608776.db2.gz CCHBLELTODJENC-OXQOHEQNSA-N -1 1 386.517 4.138 20 0 GIADMM CC(C)(C)c1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)no1 ZINC000460714616 823492770 /nfs/dbraw/zinc/49/27/70/823492770.db2.gz PVEBFSNARMEPFX-UHFFFAOYSA-N -1 1 399.472 4.025 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C3CC3)C3CC3)c2)c1 ZINC000030656023 820659324 /nfs/dbraw/zinc/65/93/24/820659324.db2.gz ZBLRAVDVDKZWLZ-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000031376553 820799980 /nfs/dbraw/zinc/79/99/80/820799980.db2.gz KZLNZSMYWDJVEC-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM CC(=O)c1cc(F)c([N-]C(=O)c2sc([C@H]3CCCOC3)nc2C)c(F)c1F ZINC000410646487 823507861 /nfs/dbraw/zinc/50/78/61/823507861.db2.gz ZMBCTFDMIAERKK-JTQLQIEISA-N -1 1 398.406 4.218 20 0 GIADMM CCCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1 ZINC000031603713 820831845 /nfs/dbraw/zinc/83/18/45/820831845.db2.gz WCKPWOIQOVLLEW-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)cc1C ZINC000031716345 820850526 /nfs/dbraw/zinc/85/05/26/820850526.db2.gz PTJRQMLCHRCPCY-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCC(C)(C)C)c1 ZINC000031759084 820856247 /nfs/dbraw/zinc/85/62/47/820856247.db2.gz VMKKPOMGHAUMKG-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)n1 ZINC000031776643 820858084 /nfs/dbraw/zinc/85/80/84/820858084.db2.gz ARKGGPAIADNYNJ-UHFFFAOYSA-N -1 1 379.485 4.132 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC2CCCC2)cc1 ZINC000031934383 820876718 /nfs/dbraw/zinc/87/67/18/820876718.db2.gz DZADHDPMPHWKDK-UHFFFAOYSA-N -1 1 386.517 4.106 20 0 GIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000032085315 820895036 /nfs/dbraw/zinc/89/50/36/820895036.db2.gz BBDASGSXWRCIFI-FQEVSTJZSA-N -1 1 389.517 4.244 20 0 GIADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000032083145 820895234 /nfs/dbraw/zinc/89/52/34/820895234.db2.gz LTZMVVARHUCIMR-UHFFFAOYSA-N -1 1 388.533 4.168 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1 ZINC000032094429 820896063 /nfs/dbraw/zinc/89/60/63/820896063.db2.gz WAESIUTYKSUGBX-UHFFFAOYSA-N -1 1 390.530 4.481 20 0 GIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C ZINC000032591972 820974460 /nfs/dbraw/zinc/97/44/60/820974460.db2.gz YRHWIIWOLNOZFJ-UHFFFAOYSA-N -1 1 391.823 4.368 20 0 GIADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000033098658 821033702 /nfs/dbraw/zinc/03/37/02/821033702.db2.gz IPCYGLOQOCVRAY-VQIMIIECSA-N -1 1 386.517 4.138 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000033215022 821048531 /nfs/dbraw/zinc/04/85/31/821048531.db2.gz ZGUQDUQXORYHLW-UHFFFAOYSA-N -1 1 397.485 4.326 20 0 GIADMM O=C(/C=C\c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000033614941 821058182 /nfs/dbraw/zinc/05/81/82/821058182.db2.gz HUVRMCJCMLKNNX-WJDWOHSUSA-N -1 1 378.453 4.139 20 0 GIADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1C ZINC000460854392 823529184 /nfs/dbraw/zinc/52/91/84/823529184.db2.gz MHUWCFPBMYWXMV-UHFFFAOYSA-N -1 1 388.258 4.014 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000060414473 823524896 /nfs/dbraw/zinc/52/48/96/823524896.db2.gz VTKSUHGGBTZFJK-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000460842460 823526684 /nfs/dbraw/zinc/52/66/84/823526684.db2.gz YHKXHMKHNFQHLY-UHFFFAOYSA-N -1 1 392.477 4.134 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc(C)c1F ZINC000460842857 823526702 /nfs/dbraw/zinc/52/67/02/823526702.db2.gz NQXIFACRJLHRES-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c(Cl)cc1Cl ZINC000040433613 821159907 /nfs/dbraw/zinc/15/99/07/821159907.db2.gz FEJMTKJVJSGXJY-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461107067 823578795 /nfs/dbraw/zinc/57/87/95/823578795.db2.gz INXQWNHHUKFGKY-UHFFFAOYSA-N -1 1 399.799 4.008 20 0 GIADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1c(Cl)cc(Br)cc1Cl ZINC000042335891 821302169 /nfs/dbraw/zinc/30/21/69/821302169.db2.gz NRBOLLCXABVTOE-UHFFFAOYSA-N -1 1 399.137 4.223 20 0 GIADMM C[C@@H](CCc1ccccc1)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042928723 821345488 /nfs/dbraw/zinc/34/54/88/821345488.db2.gz NXHNJFGLXAPCFG-KRWDZBQOSA-N -1 1 380.488 4.018 20 0 GIADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3c(C(C)C)cccc3C(C)C)cc12 ZINC000180704326 821406620 /nfs/dbraw/zinc/40/66/20/821406620.db2.gz YKQROYCPYOAHFY-UHFFFAOYSA-N -1 1 386.521 4.324 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c(=O)[n-]1 ZINC000044694972 821646622 /nfs/dbraw/zinc/64/66/22/821646622.db2.gz QWTLULKGMQLSJV-KRWDZBQOSA-N -1 1 391.512 4.188 20 0 GIADMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1F ZINC000181772283 821986400 /nfs/dbraw/zinc/98/64/00/821986400.db2.gz NINKHIHHZXPQIL-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccc([O-])cc1F ZINC000181949115 822043243 /nfs/dbraw/zinc/04/32/43/822043243.db2.gz JCYSCCKLJMCKBE-UHFFFAOYSA-N -1 1 381.841 4.440 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1 ZINC000182275746 822183262 /nfs/dbraw/zinc/18/32/62/822183262.db2.gz IERZGPMNLUDELH-UHFFFAOYSA-N -1 1 386.498 4.321 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000182517463 822278779 /nfs/dbraw/zinc/27/87/79/822278779.db2.gz VFARVYODFBWMMR-UHFFFAOYSA-N -1 1 383.404 4.138 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)c1 ZINC000182548752 822296343 /nfs/dbraw/zinc/29/63/43/822296343.db2.gz CFQOMSBXCIJJED-UHFFFAOYSA-N -1 1 386.517 4.052 20 0 GIADMM CCCCN(C(=O)CCn1c(=S)[n-]nc1-c1ccc(OCC)cc1)C1CC1 ZINC000045369098 822381846 /nfs/dbraw/zinc/38/18/46/822381846.db2.gz PZZYSNCIZHRHOO-UHFFFAOYSA-N -1 1 388.537 4.188 20 0 GIADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1I ZINC000182879848 822385071 /nfs/dbraw/zinc/38/50/71/822385071.db2.gz CZQXEXFQHDJRAE-UHFFFAOYSA-N -1 1 387.604 4.211 20 0 GIADMM CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc(Cl)c1 ZINC000045408310 822385374 /nfs/dbraw/zinc/38/53/74/822385374.db2.gz RATNWAPDOLHXPT-HNNXBMFYSA-N -1 1 379.913 4.066 20 0 GIADMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000178567002 822392524 /nfs/dbraw/zinc/39/25/24/822392524.db2.gz STIIFNWTPSUHSY-UHFFFAOYSA-N -1 1 398.300 4.276 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000182920341 822392956 /nfs/dbraw/zinc/39/29/56/822392956.db2.gz RCXFNVDTGXCCOP-UHFFFAOYSA-N -1 1 378.119 4.272 20 0 GIADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])oc2c1C(=O)CCC2 ZINC000182924067 822393698 /nfs/dbraw/zinc/39/36/98/822393698.db2.gz VZKJEIAYGWHGDC-UHFFFAOYSA-N -1 1 378.222 4.136 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000182927303 822394539 /nfs/dbraw/zinc/39/45/39/822394539.db2.gz DKCNDBNFAWDTPX-UHFFFAOYSA-N -1 1 390.262 4.234 20 0 GIADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCCCC1 ZINC000045906577 822422980 /nfs/dbraw/zinc/42/29/80/822422980.db2.gz TUMIPKWLLYGDAK-UHFFFAOYSA-N -1 1 386.517 4.282 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000179443904 822483926 /nfs/dbraw/zinc/48/39/26/822483926.db2.gz UPGYZBLTIPKXGR-UHFFFAOYSA-N -1 1 379.416 4.118 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(F)cc1F ZINC000046587958 822488802 /nfs/dbraw/zinc/48/88/02/822488802.db2.gz RNFJVWYMVNEZDF-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM O=C(/C=C/c1ccsc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588430 822488898 /nfs/dbraw/zinc/48/88/98/822488898.db2.gz ZJPUMQMXNSTSIB-MDZDMXLPSA-N -1 1 384.482 4.201 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179493522 822490508 /nfs/dbraw/zinc/49/05/08/822490508.db2.gz LYDMVEZITSHOLF-UHFFFAOYSA-N -1 1 376.403 4.041 20 0 GIADMM Cc1ccc(NC(=O)Cc2ccsc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611993 822492149 /nfs/dbraw/zinc/49/21/49/822492149.db2.gz XETKSFJZORDGPT-UHFFFAOYSA-N -1 1 386.498 4.039 20 0 GIADMM O=C(CSc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611756 822492155 /nfs/dbraw/zinc/49/21/55/822492155.db2.gz MYXQOCKVJNAXID-UHFFFAOYSA-N -1 1 398.509 4.218 20 0 GIADMM Cc1ccccc1CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046612057 822492185 /nfs/dbraw/zinc/49/21/85/822492185.db2.gz NQNGCUBXIDMYJY-UHFFFAOYSA-N -1 1 394.496 4.285 20 0 GIADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179610910 822512523 /nfs/dbraw/zinc/51/25/23/822512523.db2.gz ZBNATWWUMRSVDF-NEPJUHHUSA-N -1 1 388.386 4.154 20 0 GIADMM CC(C)C[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179688933 822528002 /nfs/dbraw/zinc/52/80/02/822528002.db2.gz XPLJMIYZSWTAEM-LBPRGKRZSA-N -1 1 388.386 4.011 20 0 GIADMM CCCCN(C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C1CCCCC1 ZINC000454764583 822530018 /nfs/dbraw/zinc/53/00/18/822530018.db2.gz FJIABOPMDYIEAN-UHFFFAOYSA-N -1 1 397.541 4.033 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000179726952 822536244 /nfs/dbraw/zinc/53/62/44/822536244.db2.gz BLALHOUNXLAFDJ-UHFFFAOYSA-N -1 1 398.484 4.249 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000179731652 822537236 /nfs/dbraw/zinc/53/72/36/822537236.db2.gz SWEJMZIQBTVSNF-UHFFFAOYSA-N -1 1 388.411 4.249 20 0 GIADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000047075476 822542613 /nfs/dbraw/zinc/54/26/13/822542613.db2.gz KXJYDSMWMJCKFH-UHFFFAOYSA-N -1 1 382.470 4.406 20 0 GIADMM Cc1oc(C)c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000047119188 822545699 /nfs/dbraw/zinc/54/56/99/822545699.db2.gz YUHZINRVJFQJSI-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM O=C(c1ccc(Br)cc1[O-])N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000179778140 822551022 /nfs/dbraw/zinc/55/10/22/822551022.db2.gz WVQSWZIHLXFYHT-HOCLYGCPSA-N -1 1 394.309 4.299 20 0 GIADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000184034438 822568240 /nfs/dbraw/zinc/56/82/40/822568240.db2.gz GSDIPSRLHRKJPF-UHFFFAOYSA-N -1 1 384.482 4.069 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@@H]1C1CCC1 ZINC000184151386 822586404 /nfs/dbraw/zinc/58/64/04/822586404.db2.gz PGDDONDDFZVPEY-HXUWFJFHSA-N -1 1 399.516 4.284 20 0 GIADMM Cc1ccc(C(=O)CCCC(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000184421306 822632184 /nfs/dbraw/zinc/63/21/84/822632184.db2.gz QBZUIQZCBGOCBH-UHFFFAOYSA-N -1 1 393.270 4.116 20 0 GIADMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)o1 ZINC000180426196 822679695 /nfs/dbraw/zinc/67/96/95/822679695.db2.gz NVZVCELJSBIDJX-SUQGKYDKSA-N -1 1 390.313 4.194 20 0 GIADMM Cc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455771888 822723579 /nfs/dbraw/zinc/72/35/79/822723579.db2.gz NXPSVHPUILRDDC-HOTGVXAUSA-N -1 1 387.505 4.201 20 0 GIADMM Cc1ccc(NC(=O)N(C)CCC2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455775182 822724200 /nfs/dbraw/zinc/72/42/00/822724200.db2.gz QWFRVHZXVVGKMZ-UHFFFAOYSA-N -1 1 387.505 4.060 20 0 GIADMM Cc1ccc2c(CSc3nc(-c4ccccc4)c(C)c(=O)[n-]3)cc(=O)oc2c1 ZINC000185052884 822729769 /nfs/dbraw/zinc/72/97/69/822729769.db2.gz KGZCEQLGWHFMDD-UHFFFAOYSA-N -1 1 390.464 4.452 20 0 GIADMM Cc1c(=O)[n-]c(SCc2noc(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000185059023 822730686 /nfs/dbraw/zinc/73/06/86/822730686.db2.gz HJSOQCORIVTORK-UHFFFAOYSA-N -1 1 376.441 4.088 20 0 GIADMM COC(=O)c1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)s1 ZINC000185059810 822730841 /nfs/dbraw/zinc/73/08/41/822730841.db2.gz ZEDHYSFYVFROPT-UHFFFAOYSA-N -1 1 386.498 4.194 20 0 GIADMM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000185082351 822734571 /nfs/dbraw/zinc/73/45/71/822734571.db2.gz STNZJWGTHMDXKH-SNVBAGLBSA-N -1 1 389.814 4.288 20 0 GIADMM COc1ccc(S[C@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000051286357 822754487 /nfs/dbraw/zinc/75/44/87/822754487.db2.gz RWAYCMRZZCOAQO-OAHLLOKOSA-N -1 1 399.512 4.003 20 0 GIADMM CCc1ccc([C@@H](COC)N[C@@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000185548290 822795442 /nfs/dbraw/zinc/79/54/42/822795442.db2.gz JBLIQAPASALMST-ZUZCIYMTSA-N -1 1 386.261 4.488 20 0 GIADMM CCOc1cc(C(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)cc(Cl)c1[O-] ZINC000456509314 822811393 /nfs/dbraw/zinc/81/13/93/822811393.db2.gz LWNHAOJYQUUWIK-CTYIDZIISA-N -1 1 375.852 4.129 20 0 GIADMM COc1ccc2ccccc2c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000174677805 822822194 /nfs/dbraw/zinc/82/21/94/822822194.db2.gz BXHDYRZAJGETBB-UHFFFAOYSA-N -1 1 386.455 4.223 20 0 GIADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000456769390 822829938 /nfs/dbraw/zinc/82/99/38/822829938.db2.gz NJMCNZWZNIUQIK-IEBWSBKVSA-N -1 1 399.560 4.235 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000456788082 822830941 /nfs/dbraw/zinc/83/09/41/822830941.db2.gz QRSXSMBTYNFLQC-XIKOKIGWSA-N -1 1 394.215 4.276 20 0 GIADMM CCCOc1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)cc1OCCC ZINC000456790901 822831350 /nfs/dbraw/zinc/83/13/50/822831350.db2.gz WZNWXGAYTVQWTL-UHFFFAOYSA-N -1 1 379.403 4.429 20 0 GIADMM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456793779 822831649 /nfs/dbraw/zinc/83/16/49/822831649.db2.gz OMQOJYHKJDQEHA-BTDLBPIBSA-N -1 1 396.821 4.107 20 0 GIADMM CCOc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000185958982 822837449 /nfs/dbraw/zinc/83/74/49/822837449.db2.gz PSVKCNYDEBFKAX-KRWDZBQOSA-N -1 1 396.270 4.311 20 0 GIADMM COc1ccc(-c2cc3[n-]c(-c4ccc(NC(C)=O)cc4)nc(=O)c3s2)cc1 ZINC000053852810 822850988 /nfs/dbraw/zinc/85/09/88/822850988.db2.gz BSUJVYUZWSWVHX-UHFFFAOYSA-N -1 1 391.452 4.286 20 0 GIADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000174908012 822854066 /nfs/dbraw/zinc/85/40/66/822854066.db2.gz IRZWESHBBYEXEV-QWHCGFSZSA-N -1 1 378.567 4.390 20 0 GIADMM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000175029527 822870758 /nfs/dbraw/zinc/87/07/58/822870758.db2.gz WHZUFNBLNBMYAK-UHFFFAOYSA-N -1 1 389.487 4.068 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(COC(C)(C)C)on2)c1 ZINC000186328421 822876825 /nfs/dbraw/zinc/87/68/25/822876825.db2.gz JRWZSEVGKPVZCM-UHFFFAOYSA-N -1 1 383.242 4.019 20 0 GIADMM CC(C)Nc1cc(F)ccc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000175146272 822891592 /nfs/dbraw/zinc/89/15/92/822891592.db2.gz QSDXPKBQRBOYME-UHFFFAOYSA-N -1 1 391.497 4.267 20 0 GIADMM CCOc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000186439358 822895709 /nfs/dbraw/zinc/89/57/09/822895709.db2.gz GNWHUIJUWULERE-UHFFFAOYSA-N -1 1 389.879 4.266 20 0 GIADMM CC[C@@H](CC1CCCCC1)C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000175229113 822909587 /nfs/dbraw/zinc/90/95/87/822909587.db2.gz RTDGYIRVJVQPTB-ZDUSSCGKSA-N -1 1 393.582 4.460 20 0 GIADMM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(F)ccc1[O-] ZINC000175230984 822909799 /nfs/dbraw/zinc/90/97/99/822909799.db2.gz NZNFAFVDDGBQNM-UHFFFAOYSA-N -1 1 391.464 4.031 20 0 GIADMM COCc1ccc(-c2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)cc1 ZINC000054754598 822910111 /nfs/dbraw/zinc/91/01/11/822910111.db2.gz YIXNIDOHCUISBT-UHFFFAOYSA-N -1 1 378.453 4.474 20 0 GIADMM O=S(=O)([N-]c1ccsc1Cl)c1c(F)cccc1OC(F)(F)F ZINC000569382604 822913839 /nfs/dbraw/zinc/91/38/39/822913839.db2.gz XXKIPPKIAQRMQL-UHFFFAOYSA-N -1 1 375.752 4.240 20 0 GIADMM CCOc1cc(C(=O)NCc2sccc2Br)cc(Cl)c1[O-] ZINC000186717826 822943946 /nfs/dbraw/zinc/94/39/46/822943946.db2.gz SLHMQYKRXSMNHU-UHFFFAOYSA-N -1 1 390.686 4.198 20 0 GIADMM CCOc1cc(C(=O)NCCCCOCc2ccccc2)cc(Cl)c1[O-] ZINC000186718848 822944203 /nfs/dbraw/zinc/94/42/03/822944203.db2.gz SNBWOUXIKUNYNL-UHFFFAOYSA-N -1 1 377.868 4.171 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000055315327 822951149 /nfs/dbraw/zinc/95/11/49/822951149.db2.gz WGGDTTQUASVEHV-UHFFFAOYSA-N -1 1 378.255 4.434 20 0 GIADMM CCOc1cc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000186778151 822953982 /nfs/dbraw/zinc/95/39/82/822953982.db2.gz DVASRVRQMHMLJY-UHFFFAOYSA-N -1 1 389.814 4.081 20 0 GIADMM CCc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]c(=O)c1C ZINC000569745285 822962461 /nfs/dbraw/zinc/96/24/61/822962461.db2.gz PQLDFCYUJGJNOM-UHFFFAOYSA-N -1 1 396.394 4.414 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000186835568 822964179 /nfs/dbraw/zinc/96/41/79/822964179.db2.gz PJQWKFKCSCCSFI-LIRRHRJNSA-N -1 1 389.879 4.355 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186841649 822965603 /nfs/dbraw/zinc/96/56/03/822965603.db2.gz OWAVUWLPFYVPRP-CXAGYDPISA-N -1 1 375.852 4.047 20 0 GIADMM CCc1nc(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)[n-]c(=O)c1C ZINC000569825859 822973127 /nfs/dbraw/zinc/97/31/27/822973127.db2.gz NQXMOUADPSOSJY-OAHLLOKOSA-N -1 1 379.913 4.462 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000055619780 822988501 /nfs/dbraw/zinc/98/85/01/822988501.db2.gz NTVWSYCYUHRMPD-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c2ccccc2n1C ZINC000569948059 822988851 /nfs/dbraw/zinc/98/88/51/822988851.db2.gz GJJWNDLLPHTTOL-UHFFFAOYSA-N -1 1 375.469 4.247 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000055631528 822989726 /nfs/dbraw/zinc/98/97/26/822989726.db2.gz SYWNQQBTYUJKSJ-MRXNPFEDSA-N -1 1 381.881 4.007 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000055639249 822990667 /nfs/dbraw/zinc/99/06/67/822990667.db2.gz ZINUGGUTGYWNLM-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000055651452 822993524 /nfs/dbraw/zinc/99/35/24/822993524.db2.gz SMVANTNCQNNMLT-CQSZACIVSA-N -1 1 392.908 4.155 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1NC(=O)c1ccccc1 ZINC000055663238 822995828 /nfs/dbraw/zinc/99/58/28/822995828.db2.gz JAEALEGDDXYJIR-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CC(C)(CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000570074647 823003589 /nfs/dbraw/zinc/00/35/89/823003589.db2.gz ZUHPVXLKRNBIDB-UHFFFAOYSA-N -1 1 386.517 4.044 20 0 GIADMM Cc1nc(NC(=O)[C@H](C)c2ccc(Cl)s2)sc1-c1n[n-]c(=S)n1C ZINC000175666892 823016164 /nfs/dbraw/zinc/01/61/64/823016164.db2.gz GBJTURMBHPHBLV-ZCFIWIBFSA-N -1 1 399.954 4.367 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c(F)c1 ZINC000187179881 823021597 /nfs/dbraw/zinc/02/15/97/823021597.db2.gz RFVBGZZRLNWRRX-CYBMUJFWSA-N -1 1 399.871 4.004 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C1CCC1 ZINC000187297703 823038880 /nfs/dbraw/zinc/03/88/80/823038880.db2.gz ZBXWQLPEHPYPTQ-UHFFFAOYSA-N -1 1 382.844 4.019 20 0 GIADMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000190148645 823543171 /nfs/dbraw/zinc/54/31/71/823543171.db2.gz WJIQEKXOJDDQRS-UHFFFAOYSA-N -1 1 386.517 4.059 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3c(C)n(C)c4ccccc43)cc2)c1C ZINC000461184056 823594725 /nfs/dbraw/zinc/59/47/25/823594725.db2.gz AARVGUSPTKIWJG-UHFFFAOYSA-N -1 1 394.500 4.090 20 0 GIADMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2nn1C ZINC000461333299 823619238 /nfs/dbraw/zinc/61/92/38/823619238.db2.gz RTHHNDFEGUVVEE-UHFFFAOYSA-N -1 1 377.469 4.350 20 0 GIADMM C[C@H]1CN(c2ccccc2NC(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000190946396 823628702 /nfs/dbraw/zinc/62/87/02/823628702.db2.gz QFLVCUDJGPDEHY-STQMWFEESA-N -1 1 375.856 4.303 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)c1 ZINC000461481519 823645669 /nfs/dbraw/zinc/64/56/69/823645669.db2.gz ARQBZHPQXWBONG-LAUBAEHRSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000125137093 823654133 /nfs/dbraw/zinc/65/41/33/823654133.db2.gz MEOJTOZFMMMBAM-UHFFFAOYSA-N -1 1 388.420 4.089 20 0 GIADMM CCOc1cc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc(Cl)c1[O-] ZINC000191158837 823654765 /nfs/dbraw/zinc/65/47/65/823654765.db2.gz LQZXJZAXPODKFN-UHFFFAOYSA-N -1 1 376.796 4.179 20 0 GIADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1c(F)cccc1Cl ZINC000125383796 823672149 /nfs/dbraw/zinc/67/21/49/823672149.db2.gz AUUCPBBXUCGDAL-UHFFFAOYSA-N -1 1 392.235 4.095 20 0 GIADMM O=C(CCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)N1CCCC1 ZINC000191412632 823682300 /nfs/dbraw/zinc/68/23/00/823682300.db2.gz LMRHWBRKXYAQHV-UHFFFAOYSA-N -1 1 376.859 4.352 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)C[C@@H]2C)cc1 ZINC000412786363 823682519 /nfs/dbraw/zinc/68/25/19/823682519.db2.gz VPHFRRHHSDQUNQ-INIZCTEOSA-N -1 1 386.517 4.056 20 0 GIADMM C[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000063630589 823685021 /nfs/dbraw/zinc/68/50/21/823685021.db2.gz HQVSUSAPUBMHRI-GFCCVEGCSA-N -1 1 394.443 4.140 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1C(=O)N1CCCC1 ZINC000125604982 823689444 /nfs/dbraw/zinc/68/94/44/823689444.db2.gz SIIOSPWTSJJARJ-UHFFFAOYSA-N -1 1 386.517 4.155 20 0 GIADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000163476850 823713727 /nfs/dbraw/zinc/71/37/27/823713727.db2.gz SGXFEMZYSXUWCV-YJBOKZPZSA-N -1 1 398.503 4.311 20 0 GIADMM Cc1ccc(NC(=O)C(C)(C)CC(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000413165668 823719394 /nfs/dbraw/zinc/71/93/94/823719394.db2.gz SHNBOCRCJLDUIY-UHFFFAOYSA-N -1 1 396.459 4.416 20 0 GIADMM Cc1c(C(=O)[O-])cnn1C1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000574407839 823721930 /nfs/dbraw/zinc/72/19/30/823721930.db2.gz YWGFAXFGRAZBSN-LBPRGKRZSA-N -1 1 392.297 4.050 20 0 GIADMM CCCCc1cc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)n[nH]1 ZINC000064078710 823743305 /nfs/dbraw/zinc/74/33/05/823743305.db2.gz KUOHPONGRLDNOG-UHFFFAOYSA-N -1 1 384.509 4.011 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc2sccc2[nH]1 ZINC000191933375 823815423 /nfs/dbraw/zinc/81/54/23/823815423.db2.gz ZGAPZDIPTVNGID-UHFFFAOYSA-N -1 1 397.481 4.283 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000064475437 823826126 /nfs/dbraw/zinc/82/61/26/823826126.db2.gz WTTNVOHTOYTRNP-UHFFFAOYSA-N -1 1 378.519 4.194 20 0 GIADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000064476958 823826838 /nfs/dbraw/zinc/82/68/38/823826838.db2.gz MGVZLBHDOZSJPA-UHFFFAOYSA-N -1 1 376.478 4.015 20 0 GIADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)cc21 ZINC000574834756 823837537 /nfs/dbraw/zinc/83/75/37/823837537.db2.gz TYZCICUEJIOWHJ-UHFFFAOYSA-N -1 1 397.500 4.082 20 0 GIADMM COc1cc(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)cc(Cl)c1[O-] ZINC000414034085 823893458 /nfs/dbraw/zinc/89/34/58/823893458.db2.gz FSUSQBZZJOBRCM-LLVKDONJSA-N -1 1 390.842 4.046 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Br)o3)s2)c(C)c1 ZINC000065083001 823938232 /nfs/dbraw/zinc/93/82/32/823938232.db2.gz XHWYRTOKSBBPIT-UHFFFAOYSA-N -1 1 378.251 4.430 20 0 GIADMM O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000126814888 823958300 /nfs/dbraw/zinc/95/83/00/823958300.db2.gz ZVHGXTPZWAOAOB-UHFFFAOYSA-N -1 1 377.363 4.026 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000414379875 823969586 /nfs/dbraw/zinc/96/95/86/823969586.db2.gz HNXUVZBXEFJGHC-UHFFFAOYSA-N -1 1 384.501 4.065 20 0 GIADMM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccc(C2CC2)cc1 ZINC000414386792 823970796 /nfs/dbraw/zinc/97/07/96/823970796.db2.gz ICPMYBGUPFELEO-UHFFFAOYSA-N -1 1 396.434 4.243 20 0 GIADMM O=C([O-])c1cnoc1CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000575810411 824001626 /nfs/dbraw/zinc/00/16/26/824001626.db2.gz OHIFEXHIYWRVEE-UHFFFAOYSA-N -1 1 377.853 4.016 20 0 GIADMM O=C([O-])CCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000414627897 824019061 /nfs/dbraw/zinc/01/90/61/824019061.db2.gz NVSPDRWQIODTRH-MRXNPFEDSA-N -1 1 392.887 4.098 20 0 GIADMM Cc1nc(NC(=O)C[C@H]2CCCc3ccccc32)sc1-c1n[n-]c(=S)n1C ZINC000170978369 824026230 /nfs/dbraw/zinc/02/62/30/824026230.db2.gz AGEDDIXQDRHYHD-CYBMUJFWSA-N -1 1 399.545 4.358 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192577750 824036612 /nfs/dbraw/zinc/03/66/12/824036612.db2.gz BZTUPSDAKFZVMX-UHFFFAOYSA-N -1 1 381.859 4.323 20 0 GIADMM CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cccc(C)c1 ZINC000192617296 824046641 /nfs/dbraw/zinc/04/66/41/824046641.db2.gz IWQBEMXYAFDSOT-UHFFFAOYSA-N -1 1 393.468 4.378 20 0 GIADMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1OCCC ZINC000016095995 212103996 /nfs/dbraw/zinc/10/39/96/212103996.db2.gz CLLCLWJXTREYLZ-UHFFFAOYSA-N -1 1 385.432 4.343 20 0 GIADMM O=C(NC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000007918513 221015993 /nfs/dbraw/zinc/01/59/93/221015993.db2.gz QSBKIRVUCUFGDH-UHFFFAOYSA-N -1 1 392.908 4.203 20 0 GIADMM COc1ccc(N[C@H]2CCSc3cc(C)c(C)cc32)cc1[N-]S(C)(=O)=O ZINC000187499126 823075650 /nfs/dbraw/zinc/07/56/50/823075650.db2.gz VKMMYPCPYJLAFM-INIZCTEOSA-N -1 1 392.546 4.333 20 0 GIADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000120878768 823081264 /nfs/dbraw/zinc/08/12/64/823081264.db2.gz NLJQVWBVYGWFSU-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM CCOc1ccc(C(C)=O)cc1CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000570986289 823115984 /nfs/dbraw/zinc/11/59/84/823115984.db2.gz VREGZTKVEZIZBW-UHFFFAOYSA-N -1 1 395.499 4.441 20 0 GIADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000571109261 823133630 /nfs/dbraw/zinc/13/36/30/823133630.db2.gz WBDCWGYCSNMJTO-UHFFFAOYSA-N -1 1 386.411 4.009 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000176202549 823151695 /nfs/dbraw/zinc/15/16/95/823151695.db2.gz LKRHCVASNXNORT-UHFFFAOYSA-N -1 1 398.454 4.107 20 0 GIADMM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1c(Cl)cccc1C(F)(F)F ZINC000571450446 823184119 /nfs/dbraw/zinc/18/41/19/823184119.db2.gz AFQYBOACXYMDTA-CYBMUJFWSA-N -1 1 389.826 4.195 20 0 GIADMM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1c(Cl)cccc1C(F)(F)F ZINC000571450448 823184138 /nfs/dbraw/zinc/18/41/38/823184138.db2.gz AFQYBOACXYMDTA-ZDUSSCGKSA-N -1 1 389.826 4.195 20 0 GIADMM CCOc1ccc(OC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000121520167 823199168 /nfs/dbraw/zinc/19/91/68/823199168.db2.gz FSSCVJZEFMOFLL-UHFFFAOYSA-N -1 1 383.473 4.311 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000176459922 823212145 /nfs/dbraw/zinc/21/21/45/823212145.db2.gz LRTLAYBFWVZYCR-UHFFFAOYSA-N -1 1 384.457 4.204 20 0 GIADMM COCCN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(F)cc1Cl ZINC000571691790 823219535 /nfs/dbraw/zinc/21/95/35/823219535.db2.gz MZKNTYYWDWJCCB-SFHVURJKSA-N -1 1 379.859 4.186 20 0 GIADMM COc1ccc(N[C@@H](C)c2cc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000188395505 823233269 /nfs/dbraw/zinc/23/32/69/823233269.db2.gz GTNLOHFJZVIMIO-LBPRGKRZSA-N -1 1 376.503 4.455 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1C ZINC000571821802 823239577 /nfs/dbraw/zinc/23/95/77/823239577.db2.gz UWBZEFXUSNWXIS-JTQLQIEISA-N -1 1 385.411 4.191 20 0 GIADMM O=C(CC[C@H]1CCCCO1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176581901 823241434 /nfs/dbraw/zinc/24/14/34/823241434.db2.gz PAZUVPDYJQTMAG-OAHLLOKOSA-N -1 1 398.484 4.044 20 0 GIADMM C[C@H]1CCC[C@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000176603661 823246425 /nfs/dbraw/zinc/24/64/25/823246425.db2.gz MRBSBINMSCROED-STQMWFEESA-N -1 1 378.929 4.298 20 0 GIADMM CSCc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000571872745 823248317 /nfs/dbraw/zinc/24/83/17/823248317.db2.gz DOBMOYKADFPLIR-UHFFFAOYSA-N -1 1 375.437 4.455 20 0 GIADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000176674984 823264471 /nfs/dbraw/zinc/26/44/71/823264471.db2.gz XNSIQNDTUHTYRH-UHFFFAOYSA-N -1 1 386.498 4.414 20 0 GIADMM O=C([O-])C1CCN([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)CC1 ZINC000003758314 817494178 /nfs/dbraw/zinc/49/41/78/817494178.db2.gz SASXITKVPCINJI-GOSISDBHSA-N -1 1 392.268 4.474 20 0 GIADMM Cc1ccc(-n2cnnc2SCc2cc(=O)oc3cc([O-])ccc23)cc1Cl ZINC000006103942 817653266 /nfs/dbraw/zinc/65/32/66/817653266.db2.gz OGNKEKRILHSBKV-UHFFFAOYSA-N -1 1 399.859 4.333 20 0 GIADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000006178344 817666090 /nfs/dbraw/zinc/66/60/90/817666090.db2.gz MROXGAOQMVBHIQ-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000007249978 817804180 /nfs/dbraw/zinc/80/41/80/817804180.db2.gz DNIFDWIIWKZPSL-UHFFFAOYSA-N -1 1 387.391 4.008 20 0 GIADMM Cc1ccc(NC(=S)NC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000007517349 817859722 /nfs/dbraw/zinc/85/97/22/817859722.db2.gz JFBQPOKZYFVGOX-UHFFFAOYSA-N -1 1 397.953 4.144 20 0 GIADMM Cc1nc(-c2ccccc2)c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000007520732 817860641 /nfs/dbraw/zinc/86/06/41/817860641.db2.gz DHNZITBOVJQBFF-UHFFFAOYSA-N -1 1 393.420 4.288 20 0 GIADMM O=C(C[C@@H]1C=CCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000008028778 817985240 /nfs/dbraw/zinc/98/52/40/817985240.db2.gz CELGTXVDFOLOQW-CYBMUJFWSA-N -1 1 392.427 4.060 20 0 GIADMM O=C(/C=C/c1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000057566358 823310774 /nfs/dbraw/zinc/31/07/74/823310774.db2.gz RVDZDHSAPMXWDJ-XNTDXEJSSA-N -1 1 396.443 4.278 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000014097664 818222402 /nfs/dbraw/zinc/22/24/02/818222402.db2.gz IIGAYZQVKFBGBB-UHFFFAOYSA-N -1 1 393.679 4.406 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000015349226 818315492 /nfs/dbraw/zinc/31/54/92/818315492.db2.gz GGDFQZXAAULTSP-UHFFFAOYSA-N -1 1 380.469 4.072 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000015469523 818327744 /nfs/dbraw/zinc/32/77/44/818327744.db2.gz VODHNLGIGUSVCV-FMIVXFBMSA-N -1 1 397.887 4.246 20 0 GIADMM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000572374562 823329123 /nfs/dbraw/zinc/32/91/23/823329123.db2.gz BNIJZOBWHFOOSQ-LLVKDONJSA-N -1 1 387.261 4.038 20 0 GIADMM O=c1[nH]c(C(Cl)=Cc2ccc([O-])c(Br)c2)nc2ccccc12 ZINC000016441428 818443015 /nfs/dbraw/zinc/44/30/15/818443015.db2.gz ZNXGRIWCKGDHEA-WQLSENKSSA-N -1 1 377.625 4.128 20 0 GIADMM CCc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000016640174 818461846 /nfs/dbraw/zinc/46/18/46/818461846.db2.gz YKARAKQPAAGFNC-UHFFFAOYSA-N -1 1 380.469 4.302 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nncn2C(C)C)c(C)c1 ZINC000176972668 823339328 /nfs/dbraw/zinc/33/93/28/823339328.db2.gz VZJMSFZHCKONNR-UHFFFAOYSA-N -1 1 384.505 4.252 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCc1ccc(Cl)cc1 ZINC000017324147 818510312 /nfs/dbraw/zinc/51/03/12/818510312.db2.gz PMEPWSMXHWFFJQ-UHFFFAOYSA-N -1 1 378.910 4.029 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1C ZINC000017356159 818511907 /nfs/dbraw/zinc/51/19/07/818511907.db2.gz WCQIHKLNSCKPHT-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C2CCCCC2)cc1 ZINC000017356867 818511926 /nfs/dbraw/zinc/51/19/26/818511926.db2.gz LBQDFEHXIWTHFO-UHFFFAOYSA-N -1 1 388.537 4.188 20 0 GIADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc([C@@H]2CCCO2)n1 ZINC000122373666 823345751 /nfs/dbraw/zinc/34/57/51/823345751.db2.gz XUHYENOCDFJHJB-LBPRGKRZSA-N -1 1 392.893 4.419 20 0 GIADMM Cc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000021893350 818752176 /nfs/dbraw/zinc/75/21/76/818752176.db2.gz VPBREGMBZAWZES-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1OCC ZINC000058190513 823368033 /nfs/dbraw/zinc/36/80/33/823368033.db2.gz UVFKTNDJRYIRNJ-UHFFFAOYSA-N -1 1 398.912 4.004 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1F ZINC000022844071 818866791 /nfs/dbraw/zinc/86/67/91/818866791.db2.gz BPLRRXGEJGCNLI-UHFFFAOYSA-N -1 1 378.469 4.191 20 0 GIADMM CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000022928926 818877821 /nfs/dbraw/zinc/87/78/21/818877821.db2.gz GLUHGKZAFLUVOS-UHFFFAOYSA-N -1 1 378.881 4.354 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)n1 ZINC000022931346 818878285 /nfs/dbraw/zinc/87/82/85/818878285.db2.gz XNDSVFFKNREQHB-STQMWFEESA-N -1 1 385.489 4.239 20 0 GIADMM CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ncccc2[O-])c1 ZINC000122738452 823403448 /nfs/dbraw/zinc/40/34/48/823403448.db2.gz UAZSSHGHQJUOMR-MRXNPFEDSA-N -1 1 389.455 4.149 20 0 GIADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c(F)cccc1F ZINC000122752129 823405697 /nfs/dbraw/zinc/40/56/97/823405697.db2.gz OFFARFLFLHWLIA-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(-c2nsc([N-]C(=O)c3cnc([C@H]4CCCO4)s3)n2)s1 ZINC000122856541 823424155 /nfs/dbraw/zinc/42/41/55/823424155.db2.gz DJNJSPWQWWSORD-SECBINFHSA-N -1 1 378.504 4.135 20 0 GIADMM CCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000573015188 823434053 /nfs/dbraw/zinc/43/40/53/823434053.db2.gz UXKZYDRLPWDTCH-UHFFFAOYSA-N -1 1 388.533 4.365 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000025975392 820045828 /nfs/dbraw/zinc/04/58/28/820045828.db2.gz YXDVSXKGVPUOIC-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2CCCCCCC2)cc1 ZINC000026538116 820110973 /nfs/dbraw/zinc/11/09/73/820110973.db2.gz GLPBVKSVUXUWMK-UHFFFAOYSA-N -1 1 388.537 4.235 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000026878415 820157113 /nfs/dbraw/zinc/15/71/13/820157113.db2.gz FTKIDRJFOFNTCZ-IUCAKERBSA-N -1 1 395.390 4.244 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)cc1C ZINC000027180038 820206539 /nfs/dbraw/zinc/20/65/39/820206539.db2.gz IQMZTTFKBSOCIH-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027698258 820276766 /nfs/dbraw/zinc/27/67/66/820276766.db2.gz RRHFHOLVLXPYAV-UZLBHIALSA-N -1 1 386.517 4.186 20 0 GIADMM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3F)c2n1 ZINC000573218209 823467160 /nfs/dbraw/zinc/46/71/60/823467160.db2.gz USFDPFPLSUEWEQ-UHFFFAOYSA-N -1 1 382.363 4.085 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000028490733 820339330 /nfs/dbraw/zinc/33/93/30/820339330.db2.gz NSQXXRJQTNEVIR-IBGZPJMESA-N -1 1 386.517 4.201 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000028700243 820352697 /nfs/dbraw/zinc/35/26/97/820352697.db2.gz QNECHFXMEZTHIA-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000029324547 820436577 /nfs/dbraw/zinc/43/65/77/820436577.db2.gz GFKKKHYXXZTYHT-UHFFFAOYSA-N -1 1 387.505 4.286 20 0 GIADMM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCc1ccccc1Cl ZINC000573331770 823480785 /nfs/dbraw/zinc/48/07/85/823480785.db2.gz FBETUZLUNQCYDI-QGZVFWFLSA-N -1 1 394.696 4.157 20 0 GIADMM Cc1c2cccc(F)c2oc1C(=O)[N-]NC(=O)CSc1ccc(Cl)cc1 ZINC000029638304 820489858 /nfs/dbraw/zinc/48/98/58/820489858.db2.gz GODLMPSEHJILAS-UHFFFAOYSA-N -1 1 392.839 4.087 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000029997802 820564514 /nfs/dbraw/zinc/56/45/14/820564514.db2.gz CZTJDDGTWZFWIF-HOCLYGCPSA-N -1 1 388.537 4.043 20 0 GIADMM O=C(c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)N1CCCC1 ZINC000030530846 820633091 /nfs/dbraw/zinc/63/30/91/820633091.db2.gz YLPCVCRGYZMYLS-UHFFFAOYSA-N -1 1 399.299 4.030 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC000030531143 820633323 /nfs/dbraw/zinc/63/33/23/820633323.db2.gz QULGTUREMGQIMF-MRXNPFEDSA-N -1 1 386.517 4.123 20 0 GIADMM C/C=C(/C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OC ZINC000177610869 823500595 /nfs/dbraw/zinc/50/05/95/823500595.db2.gz GFQHAICILCOYED-QCDXTXTGSA-N -1 1 394.880 4.054 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)C(C)C)ccc2C)cc1 ZINC000031716422 820850205 /nfs/dbraw/zinc/85/02/05/820850205.db2.gz FFHSSCHCRNCVNS-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)c1C ZINC000031716336 820850599 /nfs/dbraw/zinc/85/05/99/820850599.db2.gz JOICAWOGOVJLDT-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1ccc(C(=O)NCCC(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000031759755 820856047 /nfs/dbraw/zinc/85/60/47/820856047.db2.gz QQXFTVMQCOHRDH-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000032064883 820893241 /nfs/dbraw/zinc/89/32/41/820893241.db2.gz CQBFEPVPWCXSSG-CQSZACIVSA-N -1 1 376.526 4.043 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000032071898 820893745 /nfs/dbraw/zinc/89/37/45/820893745.db2.gz IBFNZZYKEXCPQO-QGZVFWFLSA-N -1 1 388.533 4.365 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3CC)c2)cc1 ZINC000032096073 820896590 /nfs/dbraw/zinc/89/65/90/820896590.db2.gz MUEWACVYSADBHI-HNNXBMFYSA-N -1 1 384.505 4.279 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)n1 ZINC000032322901 820915366 /nfs/dbraw/zinc/91/53/66/820915366.db2.gz CFACZOYWSPGVQV-MRXNPFEDSA-N -1 1 379.913 4.131 20 0 GIADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000032369610 820927247 /nfs/dbraw/zinc/92/72/47/820927247.db2.gz TXCYRGXASKZYFI-UHFFFAOYSA-N -1 1 380.469 4.154 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)cc1 ZINC000032585286 820972254 /nfs/dbraw/zinc/97/22/54/820972254.db2.gz XCDYILNSLKCOQS-UHFFFAOYSA-N -1 1 398.484 4.386 20 0 GIADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000032594804 820974330 /nfs/dbraw/zinc/97/43/30/820974330.db2.gz OXPPBEKFIHSTRI-UHFFFAOYSA-N -1 1 383.473 4.367 20 0 GIADMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)=O ZINC000032627013 820979361 /nfs/dbraw/zinc/97/93/61/820979361.db2.gz QKNGBHYKWUUFSC-UHFFFAOYSA-N -1 1 382.485 4.009 20 0 GIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC000460827022 823523695 /nfs/dbraw/zinc/52/36/95/823523695.db2.gz JLCNTVVYQHVLJG-MRXNPFEDSA-N -1 1 388.533 4.448 20 0 GIADMM Cc1nc(NC(=O)c2cccc(F)c2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000123565143 823521851 /nfs/dbraw/zinc/52/18/51/823521851.db2.gz MHCYIVVJCNTHAT-UHFFFAOYSA-N -1 1 375.454 4.099 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2CCCC2)c1 ZINC000033054775 821029114 /nfs/dbraw/zinc/02/91/14/821029114.db2.gz DWZMYTVOUSARBH-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(Oc3cc(C)ccn3)c2)c1 ZINC000460823361 823522543 /nfs/dbraw/zinc/52/25/43/823522543.db2.gz QAHKBULNRKLRCS-UHFFFAOYSA-N -1 1 396.468 4.494 20 0 GIADMM O=C(NCCC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033120830 821035712 /nfs/dbraw/zinc/03/57/12/821035712.db2.gz XZPONTHTXFQHCB-UHFFFAOYSA-N -1 1 386.517 4.188 20 0 GIADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000460843477 823526720 /nfs/dbraw/zinc/52/67/20/823526720.db2.gz WYWBEWCRQCANEI-UHFFFAOYSA-N -1 1 396.516 4.447 20 0 GIADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Br)cc1Cl ZINC000040231551 821154363 /nfs/dbraw/zinc/15/43/63/821154363.db2.gz AINVWELFAROPFP-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM O=C(Nc1cccc(Cl)c1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043450284 821408846 /nfs/dbraw/zinc/40/88/46/821408846.db2.gz OHMCEHUIOYGJGB-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180778952 821452467 /nfs/dbraw/zinc/45/24/67/821452467.db2.gz REVYDLDXOPEODR-RDJZCZTQSA-N -1 1 397.368 4.278 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000181081644 821623377 /nfs/dbraw/zinc/62/33/77/821623377.db2.gz GTZQPZTZTXFHDF-ZWKOTPCHSA-N -1 1 398.459 4.093 20 0 GIADMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181217886 821702603 /nfs/dbraw/zinc/70/26/03/821702603.db2.gz BAEVHJGJPWBSCH-OAHLLOKOSA-N -1 1 381.451 4.482 20 0 GIADMM O=C([N-]c1c(F)cc(F)cc1F)c1cccc([N+](=O)[O-])c1Br ZINC000182663617 822343615 /nfs/dbraw/zinc/34/36/15/822343615.db2.gz PNUDIJHNDWOSBN-UHFFFAOYSA-N -1 1 375.100 4.027 20 0 GIADMM COc1ccc(N[C@@H](c2cccs2)C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000182728667 822358589 /nfs/dbraw/zinc/35/85/89/822358589.db2.gz XIKDRCGMHXVRMF-GOSISDBHSA-N -1 1 380.535 4.472 20 0 GIADMM CC(C)c1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nn1C(C)(C)C ZINC000045059923 822360387 /nfs/dbraw/zinc/36/03/87/822360387.db2.gz IYKHWPQQJIFGEG-UHFFFAOYSA-N -1 1 397.519 4.202 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045059935 822360641 /nfs/dbraw/zinc/36/06/41/822360641.db2.gz GNAHVZRPJXKRRB-HZPDHXFCSA-N -1 1 383.410 4.182 20 0 GIADMM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)c([O-])c1 ZINC000182831339 822374863 /nfs/dbraw/zinc/37/48/63/822374863.db2.gz BSERAERSUQWHEV-HOCLYGCPSA-N -1 1 396.668 4.068 20 0 GIADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc([C@@H]2CCCO2)n1CC(C)C ZINC000453499971 822379016 /nfs/dbraw/zinc/37/90/16/822379016.db2.gz YEMZBYWLFXHEQV-FHLIZLRMSA-N -1 1 392.931 4.049 20 0 GIADMM Cc1[nH]ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000178856975 822416862 /nfs/dbraw/zinc/41/68/62/822416862.db2.gz KTBMYXALZGIITP-UHFFFAOYSA-N -1 1 389.864 4.030 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 ZINC000046551752 822485260 /nfs/dbraw/zinc/48/52/60/822485260.db2.gz JULWEZWRUCZAKR-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000179468868 822487277 /nfs/dbraw/zinc/48/72/77/822487277.db2.gz RMRGFUAQOWVUBA-UHFFFAOYSA-N -1 1 383.879 4.435 20 0 GIADMM O=C(Nc1cc(Cl)cc(Br)c1O)c1cc(F)c(F)c([O-])c1F ZINC000183527013 822490252 /nfs/dbraw/zinc/49/02/52/822490252.db2.gz FAILKNIWMXIBPH-UHFFFAOYSA-N -1 1 396.546 4.183 20 0 GIADMM O=C(NC[C@@H]1CCCc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000046938423 822533062 /nfs/dbraw/zinc/53/30/62/822533062.db2.gz LVKOBXOGBCAMMB-FQEVSTJZSA-N -1 1 392.499 4.117 20 0 GIADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)sc1C ZINC000047119169 822545726 /nfs/dbraw/zinc/54/57/26/822545726.db2.gz WBNLESHHGXRGEV-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000454902595 822553722 /nfs/dbraw/zinc/55/37/22/822553722.db2.gz WAWBMGMLCWCSPF-HNNXBMFYSA-N -1 1 399.557 4.279 20 0 GIADMM O=C(c1cccc(Cl)c1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179840798 822564344 /nfs/dbraw/zinc/56/43/44/822564344.db2.gz PZBWTGVJPGGAAB-UHFFFAOYSA-N -1 1 379.287 4.047 20 0 GIADMM Cc1ccc(C)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000047339299 822568748 /nfs/dbraw/zinc/56/87/48/822568748.db2.gz CBVRFMYKHKPDSX-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]NC(=S)Nc1cccc(C)c1C ZINC000047435458 822578829 /nfs/dbraw/zinc/57/88/29/822578829.db2.gz KCHYPPZHYLUNED-UHFFFAOYSA-N -1 1 398.463 4.037 20 0 GIADMM Cc1cc(O)ccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179938193 822580779 /nfs/dbraw/zinc/58/07/79/822580779.db2.gz UXBFENUMNLDKSQ-UHFFFAOYSA-N -1 1 398.365 4.189 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000184148865 822585987 /nfs/dbraw/zinc/58/59/87/822585987.db2.gz IWIJRKDTSUQBTN-OXQOHEQNSA-N -1 1 399.516 4.284 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184150976 822586228 /nfs/dbraw/zinc/58/62/28/822586228.db2.gz OYRRBIHYJSUXPQ-GOSISDBHSA-N -1 1 387.505 4.284 20 0 GIADMM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149842 822586232 /nfs/dbraw/zinc/58/62/32/822586232.db2.gz IOEZLJOOWQQDDH-JKSUJKDBSA-N -1 1 387.505 4.140 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000048281989 822651350 /nfs/dbraw/zinc/65/13/50/822651350.db2.gz CQHPOIOEQHPQND-UHFFFAOYSA-N -1 1 391.456 4.210 20 0 GIADMM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc(Cl)ccc1[O-] ZINC000048291635 822652140 /nfs/dbraw/zinc/65/21/40/822652140.db2.gz FMAGTFXYGUOCLC-UHFFFAOYSA-N -1 1 383.879 4.151 20 0 GIADMM O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1sccc1Br ZINC000048444131 822662403 /nfs/dbraw/zinc/66/24/03/822662403.db2.gz IFZILJNYXSKWHQ-LLVKDONJSA-N -1 1 390.349 4.026 20 0 GIADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)c1 ZINC000180370262 822671407 /nfs/dbraw/zinc/67/14/07/822671407.db2.gz HKUZOHGSQBZRLF-UHFFFAOYSA-N -1 1 394.393 4.047 20 0 GIADMM CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1(C)C ZINC000048816881 822684421 /nfs/dbraw/zinc/68/44/21/822684421.db2.gz NLQZINZWLPZZAW-CKEIUWERSA-N -1 1 395.528 4.278 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1Cl ZINC000184795774 822692013 /nfs/dbraw/zinc/69/20/13/822692013.db2.gz XSJVSFAUWMUVDS-UHFFFAOYSA-N -1 1 396.921 4.211 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N(C)C3CCC3)c2)c1 ZINC000455776176 822724405 /nfs/dbraw/zinc/72/44/05/822724405.db2.gz BXIFYNUDRJWPQK-UHFFFAOYSA-N -1 1 387.505 4.120 20 0 GIADMM Cc1ccc(NC(=O)N2CCC(C)(C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455779045 822725032 /nfs/dbraw/zinc/72/50/32/822725032.db2.gz VLRBZPKNRQRMJC-UHFFFAOYSA-N -1 1 387.505 4.060 20 0 GIADMM CCCN(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455802156 822729060 /nfs/dbraw/zinc/72/90/60/822729060.db2.gz VEEWEPHZQLZNMD-UHFFFAOYSA-N -1 1 389.521 4.368 20 0 GIADMM CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185050207 822729399 /nfs/dbraw/zinc/72/93/99/822729399.db2.gz ZRAPUHRBWTZZSZ-UHFFFAOYSA-N -1 1 393.512 4.347 20 0 GIADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)c3ccccc32)c1 ZINC000185229514 822752242 /nfs/dbraw/zinc/75/22/42/822752242.db2.gz BJQXPTAXRULONS-ZDUSSCGKSA-N -1 1 391.427 4.095 20 0 GIADMM CCC[C@H]1[C@H](C)CCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000174340150 822774735 /nfs/dbraw/zinc/77/47/35/822774735.db2.gz ZDJLVZKWKSRWCA-PBHICJAKSA-N -1 1 388.537 4.043 20 0 GIADMM COc1ccc(-c2nsc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1 ZINC000185625770 822803707 /nfs/dbraw/zinc/80/37/07/822803707.db2.gz FVQSHVRMVIMYPG-UHFFFAOYSA-N -1 1 396.403 4.260 20 0 GIADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000185652555 822807007 /nfs/dbraw/zinc/80/70/07/822807007.db2.gz ZFNLFBOOZHNHCA-VWLOTQADSA-N -1 1 385.510 4.033 20 0 GIADMM COc1ccc(C2(C(=O)Nc3ccc([O-])c(F)c3F)CCCC2)cc1OC ZINC000456777738 822830232 /nfs/dbraw/zinc/83/02/32/822830232.db2.gz GNSAZJIMEUXYJB-UHFFFAOYSA-N -1 1 377.387 4.138 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000053434108 822835045 /nfs/dbraw/zinc/83/50/45/822835045.db2.gz VUBLADPCRPTOHC-UHFFFAOYSA-N -1 1 390.415 4.156 20 0 GIADMM COc1ccc(C)cc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000053565272 822841085 /nfs/dbraw/zinc/84/10/85/822841085.db2.gz JMRCQQGRODMHBI-UHFFFAOYSA-N -1 1 382.489 4.262 20 0 GIADMM O=C(N[N-]C(=O)c1ccc(Cl)cc1F)Nc1ccc(CC(F)(F)F)cc1 ZINC000186064871 822848779 /nfs/dbraw/zinc/84/87/79/822848779.db2.gz UGLIRPUSMADWOP-UHFFFAOYSA-N -1 1 389.736 4.050 20 0 GIADMM CCS[C@@H]1CCC[C@H](NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000174910539 822854420 /nfs/dbraw/zinc/85/44/20/822854420.db2.gz ANZRNOTUZPMQNY-QWHCGFSZSA-N -1 1 396.607 4.240 20 0 GIADMM C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cc(Br)cc(F)c1[O-] ZINC000186248994 822864724 /nfs/dbraw/zinc/86/47/24/822864724.db2.gz RBBGOTILGFEPAP-DTWKUNHWSA-N -1 1 395.228 4.186 20 0 GIADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000457439243 822875191 /nfs/dbraw/zinc/87/51/91/822875191.db2.gz AZQAAPLUBKBTNH-AWEZNQCLSA-N -1 1 396.459 4.416 20 0 GIADMM C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cc(Br)cc(F)c1[O-] ZINC000186389685 822886614 /nfs/dbraw/zinc/88/66/14/822886614.db2.gz XZVPDEZDMILUGL-LLVKDONJSA-N -1 1 391.244 4.107 20 0 GIADMM CC(C)CCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000457541560 822888036 /nfs/dbraw/zinc/88/80/36/822888036.db2.gz XHEWUYWHCXMTSD-UHFFFAOYSA-N -1 1 388.533 4.320 20 0 GIADMM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000569199320 822891924 /nfs/dbraw/zinc/89/19/24/822891924.db2.gz ZXGJMGBUIUFTFQ-UHFFFAOYSA-N -1 1 395.815 4.406 20 0 GIADMM CCOc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000186423378 822892430 /nfs/dbraw/zinc/89/24/30/822892430.db2.gz JUOLLUWFZFHYSM-AWEZNQCLSA-N -1 1 377.868 4.342 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc(Cl)c1[O-] ZINC000186429700 822893674 /nfs/dbraw/zinc/89/36/74/822893674.db2.gz MLICLZJIESZENO-UHFFFAOYSA-N -1 1 388.895 4.317 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1 ZINC000175163938 822895817 /nfs/dbraw/zinc/89/58/17/822895817.db2.gz ZFHDDFAMOACWOW-DOTOQJQBSA-N -1 1 386.517 4.056 20 0 GIADMM C[C@H]1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)[C@H]1c1ccccc1 ZINC000175179875 822898671 /nfs/dbraw/zinc/89/86/71/822898671.db2.gz HEIIWBPWMOKKEF-SUMWQHHRSA-N -1 1 384.530 4.279 20 0 GIADMM COc1cc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])ccc1OCc1ccncc1 ZINC000175199744 822902609 /nfs/dbraw/zinc/90/26/09/822902609.db2.gz TUFNESFJBWTROI-CQSZACIVSA-N -1 1 396.418 4.005 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccnc3C)cc2)c1 ZINC000175207435 822904368 /nfs/dbraw/zinc/90/43/68/822904368.db2.gz YGMVUFBWSPNWLG-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CC(=O)c1cc(Cl)cc(CN2CCC(O)(c3c(F)cccc3F)CC2)c1[O-] ZINC000186508570 822906441 /nfs/dbraw/zinc/90/64/41/822906441.db2.gz YEWUUKUQDSESAE-UHFFFAOYSA-N -1 1 395.833 4.010 20 0 GIADMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccc(F)cc1 ZINC000054895446 822920460 /nfs/dbraw/zinc/92/04/60/822920460.db2.gz WUUGUNIXRNTIDT-WUXMJOGZSA-N -1 1 379.463 4.296 20 0 GIADMM C[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000175301894 822929371 /nfs/dbraw/zinc/92/93/71/822929371.db2.gz PGBLNPWELJJWPM-GFCCVEGCSA-N -1 1 378.929 4.346 20 0 GIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Br)cc2cccnc21 ZINC000569497299 822929974 /nfs/dbraw/zinc/92/99/74/822929974.db2.gz YHHUZIFADQSKAB-UHFFFAOYSA-N -1 1 399.216 4.076 20 0 GIADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457923339 822936885 /nfs/dbraw/zinc/93/68/85/822936885.db2.gz KFQPYIJEPDSABH-KRWDZBQOSA-N -1 1 393.405 4.367 20 0 GIADMM Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000175341538 822939958 /nfs/dbraw/zinc/93/99/58/822939958.db2.gz QZIRUQAWGTUHQL-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000569612319 822944636 /nfs/dbraw/zinc/94/46/36/822944636.db2.gz VLNQESRMJJTAQP-GJYPPUQNSA-N -1 1 375.509 4.294 20 0 GIADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CC[C@H]1CCC[C@H](C)C1)CC2 ZINC000569612316 822944664 /nfs/dbraw/zinc/94/46/64/822944664.db2.gz VLNQESRMJJTAQP-FCEWJHQRSA-N -1 1 375.509 4.294 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175367405 822948307 /nfs/dbraw/zinc/94/83/07/822948307.db2.gz ONAFHEYNVVRCOC-INIZCTEOSA-N -1 1 398.557 4.150 20 0 GIADMM Cc1ccc2c(CC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)coc2c1C ZINC000055314952 822951179 /nfs/dbraw/zinc/95/11/79/822951179.db2.gz JRKIJHPAVHYVJL-UHFFFAOYSA-N -1 1 391.467 4.419 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(Cl)c1[O-] ZINC000186779535 822954227 /nfs/dbraw/zinc/95/42/27/822954227.db2.gz RDDYTVILFCMYEO-IBGZPJMESA-N -1 1 382.847 4.359 20 0 GIADMM CCOc1cc(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc(Cl)c1[O-] ZINC000186807165 822958634 /nfs/dbraw/zinc/95/86/34/822958634.db2.gz UADFYUBMFRJZQQ-AWEZNQCLSA-N -1 1 380.897 4.359 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cc(Cl)c1[O-] ZINC000186872071 822972223 /nfs/dbraw/zinc/97/22/23/822972223.db2.gz OYSMOYMCSFUWBN-UHFFFAOYSA-N -1 1 385.851 4.107 20 0 GIADMM COC(=O)c1scc(C)c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000186907585 822978005 /nfs/dbraw/zinc/97/80/05/822978005.db2.gz LUBPBHRXKOVWMK-UHFFFAOYSA-N -1 1 376.821 4.404 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000055601712 822986086 /nfs/dbraw/zinc/98/60/86/822986086.db2.gz QSQALJCQCUXIQO-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)co1 ZINC000186972515 822990076 /nfs/dbraw/zinc/99/00/76/822990076.db2.gz YGRXFRLNGZCEJW-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM CCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000055648563 822992453 /nfs/dbraw/zinc/99/24/53/822992453.db2.gz SJESBJLLDLWLTH-UHFFFAOYSA-N -1 1 394.496 4.083 20 0 GIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000055648270 822992548 /nfs/dbraw/zinc/99/25/48/822992548.db2.gz QURXVIBJJPPFFD-UHFFFAOYSA-N -1 1 380.897 4.059 20 0 GIADMM O=C([O-])c1coc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000570100952 823005884 /nfs/dbraw/zinc/00/58/84/823005884.db2.gz ZMUFIYXSFAXJSI-OAHLLOKOSA-N -1 1 387.480 4.253 20 0 GIADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc12 ZINC000187079474 823007741 /nfs/dbraw/zinc/00/77/41/823007741.db2.gz IAFHBVUTJJUNGQ-UHFFFAOYSA-N -1 1 378.409 4.261 20 0 GIADMM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2c1 ZINC000175776009 823037564 /nfs/dbraw/zinc/03/75/64/823037564.db2.gz VBCNRVWKZVIMEO-UHFFFAOYSA-N -1 1 375.354 4.118 20 0 GIADMM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCSc1ccccc1 ZINC000570456921 823040563 /nfs/dbraw/zinc/04/05/63/823040563.db2.gz ROHQVIHPVABRHL-QGZVFWFLSA-N -1 1 392.318 4.053 20 0 GIADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(F)(F)F ZINC000060738699 823554720 /nfs/dbraw/zinc/55/47/20/823554720.db2.gz VNRFFLAJGSUYJR-UHFFFAOYSA-N -1 1 391.392 4.106 20 0 GIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000461114271 823580059 /nfs/dbraw/zinc/58/00/59/823580059.db2.gz AIKQWNXLENQGCD-UHFFFAOYSA-N -1 1 378.650 4.351 20 0 GIADMM O=S(=O)([N-]c1cc(Cl)ccc1Br)c1cccc(F)c1F ZINC000461125031 823582434 /nfs/dbraw/zinc/58/24/34/823582434.db2.gz HDOXYRHOXIWBAI-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C(C)(C)C ZINC000124465733 823598960 /nfs/dbraw/zinc/59/89/60/823598960.db2.gz OFUSKBOBQJNHJW-UHFFFAOYSA-N -1 1 396.896 4.134 20 0 GIADMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3Cl)cc2)c1C ZINC000461221868 823600883 /nfs/dbraw/zinc/60/08/83/823600883.db2.gz XRUNSMGSMPQZAO-UHFFFAOYSA-N -1 1 375.881 4.252 20 0 GIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461337608 823620249 /nfs/dbraw/zinc/62/02/49/823620249.db2.gz DQSFENRGMXPYKO-ILZDJORESA-N -1 1 398.528 4.186 20 0 GIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461342983 823621004 /nfs/dbraw/zinc/62/10/04/823621004.db2.gz SSSWQLKTDYRDRO-UHFFFAOYSA-N -1 1 386.517 4.237 20 0 GIADMM C[C@H]1CN(c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000190942420 823627984 /nfs/dbraw/zinc/62/79/84/823627984.db2.gz PCJCUMMROPKLKX-RYUDHWBXSA-N -1 1 393.846 4.442 20 0 GIADMM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000124856132 823631317 /nfs/dbraw/zinc/63/13/17/823631317.db2.gz WKCYEBMMUOAITG-UHFFFAOYSA-N -1 1 393.770 4.166 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@H]1CC12CCCC2 ZINC000412294528 823643672 /nfs/dbraw/zinc/64/36/72/823643672.db2.gz WGVGCFBPYGZZCX-MRVPVSSYSA-N -1 1 389.087 4.436 20 0 GIADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000063146732 823652815 /nfs/dbraw/zinc/65/28/15/823652815.db2.gz KXOFZABMINNGCM-UHFFFAOYSA-N -1 1 388.533 4.267 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063182077 823654878 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O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1ccc(C(F)F)cc1 ZINC000574599382 823776630 /nfs/dbraw/zinc/77/66/30/823776630.db2.gz LNLFQPDJMAJXMB-UHFFFAOYSA-N -1 1 399.469 4.428 20 0 GIADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F ZINC000462068717 823818903 /nfs/dbraw/zinc/81/89/03/823818903.db2.gz BMKNVJIBSLSBGW-UHFFFAOYSA-N -1 1 387.388 4.117 20 0 GIADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccccc2cc1[O-] ZINC000126329955 823841579 /nfs/dbraw/zinc/84/15/79/823841579.db2.gz CEKMOVLRHRDNGN-UHFFFAOYSA-N -1 1 376.456 4.345 20 0 GIADMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Br)c(F)cc1F ZINC000192083743 823854563 /nfs/dbraw/zinc/85/45/63/823854563.db2.gz MZUDEEHYDDEJAI-UHFFFAOYSA-N -1 1 375.100 4.027 20 0 GIADMM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000462267897 823906256 /nfs/dbraw/zinc/90/62/56/823906256.db2.gz JNTLTYUMBGPBRZ-SNAWJCMRSA-N -1 1 386.380 4.338 20 0 GIADMM CCC1=NO[C@@H](c2nc(=O)c3c4c(sc3[n-]2)C[C@H](c2ccccc2)CC4)C1 ZINC000126615506 823912005 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C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1 ZINC000414383448 823970318 /nfs/dbraw/zinc/97/03/18/823970318.db2.gz RLGPUAVLDIDHFP-INIZCTEOSA-N -1 1 398.528 4.311 20 0 GIADMM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c1C(F)F ZINC000414385405 823971068 /nfs/dbraw/zinc/97/10/68/823971068.db2.gz UZDYZFXOGAOAEP-UHFFFAOYSA-N -1 1 385.770 4.058 20 0 GIADMM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1c(Cl)cc(F)cc1Cl ZINC000575739568 823984241 /nfs/dbraw/zinc/98/42/41/823984241.db2.gz XUWQFBPKKHBAJT-UHFFFAOYSA-N -1 1 395.308 4.337 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3(C)C)cc2)c1C ZINC000170868608 823994584 /nfs/dbraw/zinc/99/45/84/823994584.db2.gz WGXQJAJERFCCEJ-UHFFFAOYSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000414651088 824020886 /nfs/dbraw/zinc/02/08/86/824020886.db2.gz DYDKLJGNMDETJB-OAHLLOKOSA-N -1 1 397.450 4.265 20 0 GIADMM Cc1cc(C)n(-c2ccc(Cc3nc(-c4ccc([O-])cc4Cl)no3)cc2)n1 ZINC000575912702 824028192 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O=C(N[C@H]1CCc2c1cccc2Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056901097 823229868 /nfs/dbraw/zinc/22/98/68/823229868.db2.gz VXGOJFWEMWKKBT-FQEVSTJZSA-N -1 1 398.890 4.337 20 0 GIADMM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)s1 ZINC000176548317 823234465 /nfs/dbraw/zinc/23/44/65/823234465.db2.gz JQSYIGWGLXVBHH-JTQLQIEISA-N -1 1 392.531 4.414 20 0 GIADMM O=C([N-]c1ccccc1SC(F)(F)F)c1cnc(-c2ncccn2)s1 ZINC000121745973 823241704 /nfs/dbraw/zinc/24/17/04/823241704.db2.gz BFYOLOXCPIFAEQ-UHFFFAOYSA-N -1 1 382.392 4.464 20 0 GIADMM COc1csc(C(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C3CC3)s2)c1 ZINC000176596107 823244255 /nfs/dbraw/zinc/24/42/55/823244255.db2.gz XKNXDRQTBDDHPW-UHFFFAOYSA-N -1 1 393.519 4.030 20 0 GIADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000057116210 823250315 /nfs/dbraw/zinc/25/03/15/823250315.db2.gz MUQZVLRXMXYYPJ-UHFFFAOYSA-N -1 1 398.459 4.441 20 0 GIADMM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176641303 823255540 /nfs/dbraw/zinc/25/55/40/823255540.db2.gz BIOCUDMZGALRHK-UHFFFAOYSA-N -1 1 384.457 4.233 20 0 GIADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C ZINC000176682881 823266874 /nfs/dbraw/zinc/26/68/74/823266874.db2.gz SYJXRASQXLZSPP-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM COc1ccccc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171294 817556820 /nfs/dbraw/zinc/55/68/20/817556820.db2.gz YUBGGYBNGBURSK-UHFFFAOYSA-N -1 1 392.436 4.017 20 0 GIADMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000005579434 817597462 /nfs/dbraw/zinc/59/74/62/817597462.db2.gz APWYQIJCUFHAKR-UHFFFAOYSA-N -1 1 381.432 4.250 20 0 GIADMM O=C(CSc1ccc2ccccc2c1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000005776007 817615960 /nfs/dbraw/zinc/61/59/60/817615960.db2.gz CTGNBKMVQHZSSY-UHFFFAOYSA-N -1 1 387.407 4.490 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1 ZINC000176733039 823280395 /nfs/dbraw/zinc/28/03/95/823280395.db2.gz GEHPDCBVVQDENI-UHFFFAOYSA-N -1 1 384.910 4.211 20 0 GIADMM Cc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000006053050 817644804 /nfs/dbraw/zinc/64/48/04/817644804.db2.gz KTNYFKWMYDGBAF-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM CC[C@@H](C)Oc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000057300163 823276514 /nfs/dbraw/zinc/27/65/14/823276514.db2.gz IXDQRYCHDAVYJX-GFCCVEGCSA-N -1 1 388.518 4.485 20 0 GIADMM CCC[C@H](C(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000006429218 817690429 /nfs/dbraw/zinc/69/04/29/817690429.db2.gz OEIXINXNPGHQGV-SFHVURJKSA-N -1 1 393.512 4.463 20 0 GIADMM CN(CC1CC1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000057365566 823283048 /nfs/dbraw/zinc/28/30/48/823283048.db2.gz KHKXWPKAJSKZAM-UHFFFAOYSA-N -1 1 393.270 4.433 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1OC ZINC000006919615 817726785 /nfs/dbraw/zinc/72/67/85/817726785.db2.gz XHRYGCVJUHNNAD-UHFFFAOYSA-N -1 1 383.469 4.095 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cc1 ZINC000006981472 817733850 /nfs/dbraw/zinc/73/38/50/817733850.db2.gz JSECECUJDLVFJC-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007060399 817750747 /nfs/dbraw/zinc/75/07/47/817750747.db2.gz BLYAZTDHCJAGGD-UHFFFAOYSA-N -1 1 378.803 4.226 20 0 GIADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188678901 823285051 /nfs/dbraw/zinc/28/50/51/823285051.db2.gz ZTXRHLAOQXJRMK-UHFFFAOYSA-N -1 1 398.694 4.166 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1csc(-c2cccs2)n1 ZINC000007075453 817754042 /nfs/dbraw/zinc/75/40/42/817754042.db2.gz SVWIRYMTELWEMG-UHFFFAOYSA-N -1 1 385.422 4.041 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1(c2ccccc2F)CCCC1 ZINC000007562539 817870417 /nfs/dbraw/zinc/87/04/17/817870417.db2.gz IMQZIRQGBXIYGE-UHFFFAOYSA-N -1 1 382.387 4.193 20 0 GIADMM O=C(COc1ccc(Cl)cc1)Nc1c([O-])cc(Br)cc1Cl ZINC000572186300 823296552 /nfs/dbraw/zinc/29/65/52/823296552.db2.gz YHQWXFGFUNUIJN-UHFFFAOYSA-N -1 1 391.048 4.479 20 0 GIADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1-c1ccccc1 ZINC000572205865 823300084 /nfs/dbraw/zinc/30/00/84/823300084.db2.gz HWCSKFYFLSUTJI-UHFFFAOYSA-N -1 1 379.844 4.120 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1 ZINC000008181096 818014177 /nfs/dbraw/zinc/01/41/77/818014177.db2.gz MTZATPYGLAMAEV-UHFFFAOYSA-N -1 1 392.908 4.075 20 0 GIADMM COc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000460182674 823308407 /nfs/dbraw/zinc/30/84/07/823308407.db2.gz FRCYUTSRXMGVQS-AWEZNQCLSA-N -1 1 391.851 4.254 20 0 GIADMM COc1cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc(Cl)c1[O-] ZINC000460200006 823314733 /nfs/dbraw/zinc/31/47/33/823314733.db2.gz AYJYAOWRLWMNQR-UHFFFAOYSA-N -1 1 391.851 4.173 20 0 GIADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000011771330 818119526 /nfs/dbraw/zinc/11/95/26/818119526.db2.gz LCTFSMOXMBEJMW-UHFFFAOYSA-N -1 1 375.266 4.316 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000012970382 818198447 /nfs/dbraw/zinc/19/84/47/818198447.db2.gz BYGHQIWQVWMIGA-UHFFFAOYSA-N -1 1 392.908 4.391 20 0 GIADMM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1Cl ZINC000014097352 818222294 /nfs/dbraw/zinc/22/22/94/818222294.db2.gz AFKNLVHZAGMELA-UHFFFAOYSA-N -1 1 388.272 4.418 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OCC ZINC000057722427 823325098 /nfs/dbraw/zinc/32/50/98/823325098.db2.gz ATRDQJZLISWSRX-UHFFFAOYSA-N -1 1 389.395 4.304 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000015343938 818314593 /nfs/dbraw/zinc/31/45/93/818314593.db2.gz OUEWYQINKGAXHX-UHFFFAOYSA-N -1 1 394.496 4.068 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000015348648 818315130 /nfs/dbraw/zinc/31/51/30/818315130.db2.gz YTWZMLNYJQXRPI-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000015437011 818325889 /nfs/dbraw/zinc/32/58/89/818325889.db2.gz JHXKEMOSWYUXDE-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(F)cc3)c2)c1 ZINC000015439624 818325936 /nfs/dbraw/zinc/32/59/36/818325936.db2.gz GPBAUNZUIMVWSO-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nc(-c2ccccc2)ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000016166475 818399717 /nfs/dbraw/zinc/39/97/17/818399717.db2.gz LMYXTSSCQMIOFC-UHFFFAOYSA-N -1 1 387.391 4.226 20 0 GIADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000572434016 823338325 /nfs/dbraw/zinc/33/83/25/823338325.db2.gz BRACGEJVFVTKJK-KRWDZBQOSA-N -1 1 378.266 4.153 20 0 GIADMM COc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1Cl ZINC000016639391 818461631 /nfs/dbraw/zinc/46/16/31/818461631.db2.gz BXSRVNBCKDVPCI-UHFFFAOYSA-N -1 1 388.880 4.217 20 0 GIADMM O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)c1ccc([O-])cc1 ZINC000016820764 818481320 /nfs/dbraw/zinc/48/13/20/818481320.db2.gz ITUYMWXIAGQVNX-UHFFFAOYSA-N -1 1 378.356 4.019 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000017324139 818510450 /nfs/dbraw/zinc/51/04/50/818510450.db2.gz FUPPRGOGOXTRHE-UHFFFAOYSA-N -1 1 393.299 4.231 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000017356952 818511812 /nfs/dbraw/zinc/51/18/12/818511812.db2.gz LJTGEXZDQSYLKA-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CCCCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000017442795 818515253 /nfs/dbraw/zinc/51/52/53/818515253.db2.gz KJYCRNYMNKWVKI-UHFFFAOYSA-N -1 1 392.496 4.197 20 0 GIADMM CCC[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1)c1ccccc1 ZINC000018135387 818549476 /nfs/dbraw/zinc/54/94/76/818549476.db2.gz QQQMAFNSULXXRX-SFHVURJKSA-N -1 1 396.516 4.274 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCSc2ccccc2)cc1 ZINC000018214682 818557292 /nfs/dbraw/zinc/55/72/92/818557292.db2.gz ALMWMKFACODYAD-UHFFFAOYSA-N -1 1 398.557 4.215 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)c2nnnn2C2CCCCC2)nc1-c1ccccc1 ZINC000189136446 823363339 /nfs/dbraw/zinc/36/33/39/823363339.db2.gz HCRYLSWPTRJAIQ-AWEZNQCLSA-N -1 1 396.520 4.090 20 0 GIADMM CCCOc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000022355451 818795983 /nfs/dbraw/zinc/79/59/83/818795983.db2.gz ACYXCYOGIIDJAB-UHFFFAOYSA-N -1 1 382.489 4.344 20 0 GIADMM O=C(CSc1ccc(F)c(Cl)c1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000022466915 818810980 /nfs/dbraw/zinc/81/09/80/818810980.db2.gz GWVUULSKJRVEPZ-UHFFFAOYSA-N -1 1 389.782 4.129 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000022645189 818836695 /nfs/dbraw/zinc/83/66/95/818836695.db2.gz MMTJCIBMTFOREZ-UHFFFAOYSA-N -1 1 393.516 4.155 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)n1 ZINC000022930407 818877726 /nfs/dbraw/zinc/87/77/26/818877726.db2.gz OIQRKBJISINNQW-SECBINFHSA-N -1 1 392.481 4.003 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)n1 ZINC000022930404 818877789 /nfs/dbraw/zinc/87/77/89/818877789.db2.gz OIQRKBJISINNQW-VIFPVBQESA-N -1 1 392.481 4.003 20 0 GIADMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000023155387 818905075 /nfs/dbraw/zinc/90/50/75/818905075.db2.gz WEHOEQCVVVZOEY-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023639437 818969196 /nfs/dbraw/zinc/96/91/96/818969196.db2.gz MFUQHETTXLZKRJ-UHFFFAOYSA-N -1 1 380.875 4.157 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(Cl)c1Cl ZINC000460407754 823379046 /nfs/dbraw/zinc/37/90/46/823379046.db2.gz ASASYTLSAGZCJZ-UHFFFAOYSA-N -1 1 398.214 4.404 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1)c1cccs1 ZINC000024103324 819024853 /nfs/dbraw/zinc/02/48/53/819024853.db2.gz OFRFQEKBQGSMRF-UHFFFAOYSA-N -1 1 398.509 4.290 20 0 GIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000024575995 819074574 /nfs/dbraw/zinc/07/45/74/819074574.db2.gz YXUMRNUDLFMUSK-UHFFFAOYSA-N -1 1 395.362 4.089 20 0 GIADMM COc1ccc(C(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(OC)c1 ZINC000460430347 823386736 /nfs/dbraw/zinc/38/67/36/823386736.db2.gz WKPWXDIVEHFRAZ-UHFFFAOYSA-N -1 1 396.468 4.150 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3C4CCC3CC4)c2)c1 ZINC000572718819 823388356 /nfs/dbraw/zinc/38/83/56/823388356.db2.gz CGTCLRPXJYTTJR-UHFFFAOYSA-N -1 1 399.516 4.263 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000460444711 823391503 /nfs/dbraw/zinc/39/15/03/823391503.db2.gz CGYNZPUTBZZFND-UHFFFAOYSA-N -1 1 394.496 4.061 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000177189644 823394997 /nfs/dbraw/zinc/39/49/97/823394997.db2.gz VEZCJFWYGKFIMW-HZPDHXFCSA-N -1 1 380.517 4.225 20 0 GIADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000058518851 823402912 /nfs/dbraw/zinc/40/29/12/823402912.db2.gz NZUSSDVSIRDALJ-UHFFFAOYSA-N -1 1 387.429 4.063 20 0 GIADMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000189430814 823414178 /nfs/dbraw/zinc/41/41/78/823414178.db2.gz HCCUEGZOKOINEN-UHFFFAOYSA-N -1 1 376.261 4.071 20 0 GIADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000122821054 823417995 /nfs/dbraw/zinc/41/79/95/823417995.db2.gz MULBYMPXRZUJQE-QHCPKHFHSA-N -1 1 379.890 4.031 20 0 GIADMM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000025424500 819978380 /nfs/dbraw/zinc/97/83/80/819978380.db2.gz LJZQTKYSNFRDQW-ZDUSSCGKSA-N -1 1 380.897 4.059 20 0 GIADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000573069076 823443637 /nfs/dbraw/zinc/44/36/37/823443637.db2.gz YTUNJJAQPVYPJK-UHFFFAOYSA-N -1 1 399.369 4.046 20 0 GIADMM O=C(Nc1nc(C2CC2)cs1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025562818 820003425 /nfs/dbraw/zinc/00/34/25/820003425.db2.gz GSLMESDCTJGSDD-UHFFFAOYSA-N -1 1 399.497 4.074 20 0 GIADMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000025741400 820020769 /nfs/dbraw/zinc/02/07/69/820020769.db2.gz FSSYPRNIZVADCG-UHFFFAOYSA-N -1 1 384.860 4.265 20 0 GIADMM CCCC[C@H](CC)CNC(=O)N[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000026177941 820067118 /nfs/dbraw/zinc/06/71/18/820067118.db2.gz LHYKJUOSXHKFRE-HNNXBMFYSA-N -1 1 388.537 4.279 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@H](C)CCCC(C)C ZINC000026180897 820067523 /nfs/dbraw/zinc/06/75/23/820067523.db2.gz OVQCKPOFZYGQRB-CQSZACIVSA-N -1 1 388.537 4.277 20 0 GIADMM COc1cc(-c2noc(-c3nc(C4CC4)oc3C)n2)cc(Br)c1[O-] ZINC000573166129 823458274 /nfs/dbraw/zinc/45/82/74/823458274.db2.gz GGMDNLZYXXTIMG-UHFFFAOYSA-N -1 1 392.209 4.054 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)C(C)C ZINC000027232070 820213255 /nfs/dbraw/zinc/21/32/55/820213255.db2.gz IZZUAXAJCHWGQG-HNNXBMFYSA-N -1 1 392.496 4.051 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC(C)(C)C)cc2)c1C ZINC000027362315 820231484 /nfs/dbraw/zinc/23/14/84/820231484.db2.gz IRPODNRTWWTKRS-UHFFFAOYSA-N -1 1 388.533 4.270 20 0 GIADMM CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000027462147 820247483 /nfs/dbraw/zinc/24/74/83/820247483.db2.gz PMQMHCBAIMPZOH-LBPRGKRZSA-N -1 1 398.887 4.198 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc4ncccc4c3)c2)n1 ZINC000410336004 823466708 /nfs/dbraw/zinc/46/67/08/823466708.db2.gz BNIZGDYFLOVIQL-UHFFFAOYSA-N -1 1 381.482 4.468 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(Br)c1 ZINC000028197220 820318257 /nfs/dbraw/zinc/31/82/57/820318257.db2.gz PWSHPZRTMQIMFD-UHFFFAOYSA-N -1 1 392.221 4.160 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2Br)c(C)c1C ZINC000573239253 823469536 /nfs/dbraw/zinc/46/95/36/823469536.db2.gz FNXINUAPEGJBDB-UHFFFAOYSA-N -1 1 384.295 4.184 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028490744 820339605 /nfs/dbraw/zinc/33/96/05/820339605.db2.gz MLWYDVRCXMHGTI-GOSISDBHSA-N -1 1 390.480 4.031 20 0 GIADMM CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000028490888 820340126 /nfs/dbraw/zinc/34/01/26/820340126.db2.gz FKKWZGRURXATTA-SFHVURJKSA-N -1 1 386.517 4.201 20 0 GIADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2C[C@H]1C ZINC000028678471 820349224 /nfs/dbraw/zinc/34/92/24/820349224.db2.gz WGHRJMLRZKPHDU-SNVBAGLBSA-N -1 1 399.299 4.092 20 0 GIADMM CSc1ccc(-c2nsc([N-]C(=O)c3ccnc(Cl)c3F)n2)cc1 ZINC000123171100 823473622 /nfs/dbraw/zinc/47/36/22/823473622.db2.gz NTHQMRZSVXVVFO-UHFFFAOYSA-N -1 1 380.857 4.367 20 0 GIADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)cc1Br ZINC000410361242 823474462 /nfs/dbraw/zinc/47/44/62/823474462.db2.gz UUKMLEMJJPYWSM-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000029044034 820386652 /nfs/dbraw/zinc/38/66/52/820386652.db2.gz KLXRUJATCXMHBQ-UHFFFAOYSA-N -1 1 384.841 4.084 20 0 GIADMM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000029107501 820393715 /nfs/dbraw/zinc/39/37/15/820393715.db2.gz FVQYFVQIJXTZPJ-UHFFFAOYSA-N -1 1 379.441 4.422 20 0 GIADMM CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029431771 820454496 /nfs/dbraw/zinc/45/44/96/820454496.db2.gz ANBCJRBFDQFGNG-QGZVFWFLSA-N -1 1 388.533 4.494 20 0 GIADMM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1ccccc1F ZINC000410402497 823487804 /nfs/dbraw/zinc/48/78/04/823487804.db2.gz PRPGRJQLUGQLTO-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CCN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030011866 820569105 /nfs/dbraw/zinc/56/91/05/820569105.db2.gz LNEUSNOZJZLXGI-UHFFFAOYSA-N -1 1 394.496 4.150 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000030315146 820599486 /nfs/dbraw/zinc/59/94/86/820599486.db2.gz DKDVDCMLSNFCRY-LBPRGKRZSA-N -1 1 379.913 4.018 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000123335753 823497971 /nfs/dbraw/zinc/49/79/71/823497971.db2.gz CFPTWWDHWLDOBZ-NSHDSACASA-N -1 1 392.893 4.419 20 0 GIADMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C)c1 ZINC000059779216 823498672 /nfs/dbraw/zinc/49/86/72/823498672.db2.gz CYSAVKZGEGIINY-UHFFFAOYSA-N -1 1 397.496 4.488 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000032071731 820893179 /nfs/dbraw/zinc/89/31/79/820893179.db2.gz VVWSYTAAPVIGEV-KRWDZBQOSA-N -1 1 388.533 4.365 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000032071836 820894005 /nfs/dbraw/zinc/89/40/05/820894005.db2.gz MBJJMCUFKKNJGZ-OAHLLOKOSA-N -1 1 392.496 4.196 20 0 GIADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000032084887 820894822 /nfs/dbraw/zinc/89/48/22/820894822.db2.gz ZLJOJHIERLOXKV-UHFFFAOYSA-N -1 1 388.533 4.214 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000032379912 820929242 /nfs/dbraw/zinc/92/92/42/820929242.db2.gz LYSSNTIGMBQCID-FQEVSTJZSA-N -1 1 399.560 4.171 20 0 GIADMM O=S(=O)([N-]c1cccc(COc2cccc(F)c2)c1)c1ccc(F)cc1 ZINC000032596825 820975141 /nfs/dbraw/zinc/97/51/41/820975141.db2.gz YFRQGRUSLBLFDJ-UHFFFAOYSA-N -1 1 375.396 4.345 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Cl ZINC000032595204 820975330 /nfs/dbraw/zinc/97/53/30/820975330.db2.gz NTPLYYXYSGLAAY-UHFFFAOYSA-N -1 1 378.837 4.168 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)c1 ZINC000032601628 820976910 /nfs/dbraw/zinc/97/69/10/820976910.db2.gz DXKYHXCKWWLISH-UHFFFAOYSA-N -1 1 395.406 4.309 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2CN(CC)C(C)=O)cc1 ZINC000032627088 820979402 /nfs/dbraw/zinc/97/94/02/820979402.db2.gz PKYPORNVJBUEKV-INIZCTEOSA-N -1 1 388.533 4.369 20 0 GIADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000032804587 821009489 /nfs/dbraw/zinc/00/94/89/821009489.db2.gz VIOPUSQXVQNGLL-UHFFFAOYSA-N -1 1 398.484 4.276 20 0 GIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1 ZINC000460825959 823523532 /nfs/dbraw/zinc/52/35/32/823523532.db2.gz AFXGIDBGYZJVMF-OAHLLOKOSA-N -1 1 392.496 4.080 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc2)cc1 ZINC000033181393 821044330 /nfs/dbraw/zinc/04/43/30/821044330.db2.gz WMPZOWZHDJKFSZ-VQIMIIECSA-N -1 1 386.517 4.104 20 0 GIADMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460830216 823524388 /nfs/dbraw/zinc/52/43/88/823524388.db2.gz RUHCOEQKXBRWLJ-UHFFFAOYSA-N -1 1 392.496 4.162 20 0 GIADMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3C(C)(C)C)ccc21 ZINC000460838067 823525762 /nfs/dbraw/zinc/52/57/62/823525762.db2.gz DYLJPABLEODKJN-UHFFFAOYSA-N -1 1 386.517 4.084 20 0 GIADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000038695984 821099420 /nfs/dbraw/zinc/09/94/20/821099420.db2.gz DJJSQLWGINECOV-UHFFFAOYSA-N -1 1 392.480 4.281 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000123755429 823537799 /nfs/dbraw/zinc/53/77/99/823537799.db2.gz FGDLFSCSIDZDML-UHFFFAOYSA-N -1 1 390.468 4.408 20 0 GIADMM CN(C)c1c(Cl)cccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000042092818 821263996 /nfs/dbraw/zinc/26/39/96/821263996.db2.gz VPMCKCNHWQPKAO-UHFFFAOYSA-N -1 1 393.925 4.027 20 0 GIADMM COc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043169077 821372683 /nfs/dbraw/zinc/37/26/83/821372683.db2.gz NMKJDQYWDHZNSC-UHFFFAOYSA-N -1 1 388.851 4.181 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)Nc1ccccc1Cl ZINC000043466279 821411806 /nfs/dbraw/zinc/41/18/06/821411806.db2.gz NOWLRHWMYQSKAG-UHFFFAOYSA-N -1 1 386.864 4.238 20 0 GIADMM C[C@@H]1CCc2nc(NC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)sc2C1 ZINC000043577258 821429803 /nfs/dbraw/zinc/42/98/03/821429803.db2.gz PQBWTCCYJGGHKJ-CYBMUJFWSA-N -1 1 399.516 4.100 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000043759394 821454140 /nfs/dbraw/zinc/45/41/40/821454140.db2.gz JKVMCSCLKADQBU-INIZCTEOSA-N -1 1 388.533 4.302 20 0 GIADMM Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181073113 821619206 /nfs/dbraw/zinc/61/92/06/821619206.db2.gz WVCVGXLJOPZJFU-UHFFFAOYSA-N -1 1 396.827 4.158 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(C)c1F ZINC000181149807 821664906 /nfs/dbraw/zinc/66/49/06/821664906.db2.gz GDFCFTOJQDOFSL-UHFFFAOYSA-N -1 1 377.359 4.048 20 0 GIADMM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1F ZINC000181779371 821988892 /nfs/dbraw/zinc/98/88/92/821988892.db2.gz UNDHQNZHZXQREB-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM [O-]c1c(Br)cccc1CNc1nnc(CCCc2ccccc2)o1 ZINC000181840627 822014139 /nfs/dbraw/zinc/01/41/39/822014139.db2.gz ITFBOLIAMNMYAZ-UHFFFAOYSA-N -1 1 388.265 4.325 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000182052212 822074980 /nfs/dbraw/zinc/07/49/80/822074980.db2.gz RNRPJRLBGZIMSE-SWLSCSKDSA-N -1 1 385.407 4.201 20 0 GIADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1C ZINC000182293432 822190716 /nfs/dbraw/zinc/19/07/16/822190716.db2.gz LQXQQNGQEPTAPN-UHFFFAOYSA-N -1 1 398.484 4.224 20 0 GIADMM O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000178237698 822357394 /nfs/dbraw/zinc/35/73/94/822357394.db2.gz GVHMQJTYJMGOJT-YVMONPNESA-N -1 1 384.667 4.061 20 0 GIADMM COc1ccc(N[C@@H]2CCCOc3c(C)cc(C)cc32)cc1[N-]S(C)(=O)=O ZINC000182736271 822359938 /nfs/dbraw/zinc/35/99/38/822359938.db2.gz YHCZMEFFVTVYNM-QGZVFWFLSA-N -1 1 390.505 4.009 20 0 GIADMM O=C(CCCc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000045059959 822360699 /nfs/dbraw/zinc/36/06/99/822360699.db2.gz PCKNBWAMNVZPNN-UHFFFAOYSA-N -1 1 385.891 4.490 20 0 GIADMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(Cc2cccc(F)c2)n1 ZINC000182783123 822366930 /nfs/dbraw/zinc/36/69/30/822366930.db2.gz NENBJPJIGRBKNV-UHFFFAOYSA-N -1 1 393.346 4.312 20 0 GIADMM CC[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000182830871 822374559 /nfs/dbraw/zinc/37/45/59/822374559.db2.gz QAVQKFDJEKZJFI-INIZCTEOSA-N -1 1 387.505 4.141 20 0 GIADMM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000182869904 822382739 /nfs/dbraw/zinc/38/27/39/822382739.db2.gz GRELNNZYJJMUCS-WJHGTXIHSA-N -1 1 387.867 4.217 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CCCc2nc3ccccc3[nH]2)c1 ZINC000182906319 822390107 /nfs/dbraw/zinc/39/01/07/822390107.db2.gz NZBZHASYDZJDHR-UHFFFAOYSA-N -1 1 388.265 4.301 20 0 GIADMM CC(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045501481 822391471 /nfs/dbraw/zinc/39/14/71/822391471.db2.gz MAONOFOJEUPBIL-UHFFFAOYSA-N -1 1 398.887 4.008 20 0 GIADMM COc1cccc(CO[C@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182924092 822393606 /nfs/dbraw/zinc/39/36/06/822393606.db2.gz JZLSOWIYCIMSFI-GFCCVEGCSA-N -1 1 394.265 4.016 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)CSCC(=O)c2ccccc2)c1 ZINC000182933694 822395539 /nfs/dbraw/zinc/39/55/39/822395539.db2.gz KYWOSBLZVRNDOP-UHFFFAOYSA-N -1 1 394.290 4.018 20 0 GIADMM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571887 822396305 /nfs/dbraw/zinc/39/63/05/822396305.db2.gz NLRYILVJZSEVTL-UHFFFAOYSA-N -1 1 388.349 4.092 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3ccccc3n2)cc1 ZINC000045575480 822396479 /nfs/dbraw/zinc/39/64/79/822396479.db2.gz BRZYGBDKYMCBDV-UHFFFAOYSA-N -1 1 375.457 4.103 20 0 GIADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(Br)c([O-])c1 ZINC000179147157 822443684 /nfs/dbraw/zinc/44/36/84/822443684.db2.gz AVIZQWMAIWNJDQ-CYBMUJFWSA-N -1 1 382.641 4.062 20 0 GIADMM O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc([O-])c(F)c2)s1 ZINC000179324302 822466083 /nfs/dbraw/zinc/46/60/83/822466083.db2.gz ZMEMDSDOMGXYCF-JYRVWZFOSA-N -1 1 389.839 4.050 20 0 GIADMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1F ZINC000046588452 822488986 /nfs/dbraw/zinc/48/89/86/822488986.db2.gz CHGHVVUHUWOFPH-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000046690842 822506131 /nfs/dbraw/zinc/50/61/31/822506131.db2.gz MOVAYVCXDLASJY-IBGZPJMESA-N -1 1 385.533 4.193 20 0 GIADMM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Cl)c1[O-] ZINC000046703023 822507300 /nfs/dbraw/zinc/50/73/00/822507300.db2.gz CASKFDSSURSREG-UHFFFAOYSA-N -1 1 376.865 4.288 20 0 GIADMM CSc1ccc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000047055460 822541157 /nfs/dbraw/zinc/54/11/57/822541157.db2.gz ZRABJSRCFFJSCB-HNNXBMFYSA-N -1 1 398.528 4.480 20 0 GIADMM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000183915159 822545602 /nfs/dbraw/zinc/54/56/02/822545602.db2.gz VMCCGSMICQRLHB-KRWDZBQOSA-N -1 1 390.277 4.363 20 0 GIADMM Cc1ccsc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000047339311 822568618 /nfs/dbraw/zinc/56/86/18/822568618.db2.gz JQGCBWSMNWXLQI-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM CC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1Br ZINC000179948255 822583510 /nfs/dbraw/zinc/58/35/10/822583510.db2.gz PEKBGKJZVJPOMR-UHFFFAOYSA-N -1 1 396.306 4.378 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000184147276 822585759 /nfs/dbraw/zinc/58/57/59/822585759.db2.gz GOFKYGBJPMYAIL-IRXDYDNUSA-N -1 1 399.516 4.141 20 0 GIADMM CC(C)CN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CC1 ZINC000184149640 822585947 /nfs/dbraw/zinc/58/59/47/822585947.db2.gz FDDDLMOCJNMYLH-UHFFFAOYSA-N -1 1 387.505 4.140 20 0 GIADMM O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184196469 822594393 /nfs/dbraw/zinc/59/43/93/822594393.db2.gz CIABBEBPXSZSQY-UHFFFAOYSA-N -1 1 397.277 4.233 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000048231422 822647325 /nfs/dbraw/zinc/64/73/25/822647325.db2.gz RFSUSEHQLHLITC-UHFFFAOYSA-N -1 1 393.468 4.091 20 0 GIADMM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)c(Cl)nc1Cl ZINC000180323315 822663382 /nfs/dbraw/zinc/66/33/82/822663382.db2.gz WIICFPZJZKGVOZ-UHFFFAOYSA-N -1 1 375.237 4.360 20 0 GIADMM CCn1c2ccccc2c(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c1-c1ccccc1 ZINC000455649367 822691193 /nfs/dbraw/zinc/69/11/93/822691193.db2.gz YBMJYJGBXPGVKV-SFHVURJKSA-N -1 1 390.483 4.308 20 0 GIADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000180594742 822707697 /nfs/dbraw/zinc/70/76/97/822707697.db2.gz WSARDRFOWMNWKP-PIGZYNQJSA-N -1 1 383.341 4.152 20 0 GIADMM CC[C@H](C)N(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000455788432 822726751 /nfs/dbraw/zinc/72/67/51/822726751.db2.gz KUXZISONYBIGDQ-INIZCTEOSA-N -1 1 389.521 4.366 20 0 GIADMM CC[C@@H]1C[C@H]1NC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455792618 822727423 /nfs/dbraw/zinc/72/74/23/822727423.db2.gz NIMANQUWUKJSHV-DNVCBOLYSA-N -1 1 387.505 4.024 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(Cc3ccccc3)no2)nc1-c1ccccc1 ZINC000185050547 822729430 /nfs/dbraw/zinc/72/94/30/822729430.db2.gz NMKNLAGQVIXIQS-UHFFFAOYSA-N -1 1 390.468 4.011 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C(C3CC3)C3CC3)c2)cc1 ZINC000050682550 822736064 /nfs/dbraw/zinc/73/60/64/822736064.db2.gz GCVMGWDKWKHNHQ-UHFFFAOYSA-N -1 1 398.528 4.056 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cc2)cc1 ZINC000050682518 822736123 /nfs/dbraw/zinc/73/61/23/822736123.db2.gz OAASZDXFRQWLCY-UHFFFAOYSA-N -1 1 398.528 4.056 20 0 GIADMM C[C@H](NCc1cscn1)c1cc(Br)cc(Br)c1[O-] ZINC000185246485 822754222 /nfs/dbraw/zinc/75/42/22/822754222.db2.gz YKYPDCUPNAAEAZ-ZETCQYMHSA-N -1 1 392.116 4.225 20 0 GIADMM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000051286279 822754357 /nfs/dbraw/zinc/75/43/57/822754357.db2.gz VZGHCPVWAVSXNY-QGZVFWFLSA-N -1 1 395.499 4.404 20 0 GIADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000185659346 822807647 /nfs/dbraw/zinc/80/76/47/822807647.db2.gz IIMYEUBOWXSUJI-RUZDIDTESA-N -1 1 385.510 4.033 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000174683378 822822744 /nfs/dbraw/zinc/82/27/44/822822744.db2.gz DUZXEPRZVJLCOA-UHFFFAOYSA-N -1 1 398.459 4.212 20 0 GIADMM Cc1nc(-c2ccc(NCc3ccc(Oc4ccccc4)nc3)nc2)[n-]c(=O)c1C ZINC000174712209 822827214 /nfs/dbraw/zinc/82/72/14/822827214.db2.gz VYITVZNMTAYRCX-UHFFFAOYSA-N -1 1 399.454 4.248 20 0 GIADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000456787620 822830849 /nfs/dbraw/zinc/83/08/49/822830849.db2.gz QRSXSMBTYNFLQC-KPZWWZAWSA-N -1 1 394.215 4.276 20 0 GIADMM O=C([N-]NC(=O)C1(Cc2cccc(F)c2)CCC1)c1c(Cl)cccc1Cl ZINC000185910738 822832577 /nfs/dbraw/zinc/83/25/77/822832577.db2.gz FFSRUCZXIUFTIE-UHFFFAOYSA-N -1 1 395.261 4.307 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000053518455 822838412 /nfs/dbraw/zinc/83/84/12/822838412.db2.gz QLRCGWUAYFCMCA-UHFFFAOYSA-N -1 1 380.513 4.173 20 0 GIADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000174907995 822854021 /nfs/dbraw/zinc/85/40/21/822854021.db2.gz IRZWESHBBYEXEV-CHWSQXEVSA-N -1 1 378.567 4.390 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3sccc3c2)cc1 ZINC000054130270 822863544 /nfs/dbraw/zinc/86/35/44/822863544.db2.gz CJFMBBYZFCFBRL-UHFFFAOYSA-N -1 1 396.497 4.470 20 0 GIADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000457400939 822872929 /nfs/dbraw/zinc/87/29/29/822872929.db2.gz LUZXVXBVQXGRKE-ZDUSSCGKSA-N -1 1 382.432 4.107 20 0 GIADMM O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1cc2ccccc2cc1[O-] ZINC000054863349 822918808 /nfs/dbraw/zinc/91/88/08/822918808.db2.gz CDTOGDSSTPMGEU-UHFFFAOYSA-N -1 1 399.450 4.095 20 0 GIADMM Cc1c2cc(F)ccc2oc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055043550 822933625 /nfs/dbraw/zinc/93/36/25/822933625.db2.gz YXQSVZUJVYQBBT-UHFFFAOYSA-N -1 1 381.403 4.321 20 0 GIADMM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055093277 822937288 /nfs/dbraw/zinc/93/72/88/822937288.db2.gz FSCOEEPOSIQZHF-UHFFFAOYSA-N -1 1 396.393 4.195 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186697399 822939592 /nfs/dbraw/zinc/93/95/92/822939592.db2.gz WTZBFORIVJNELO-UGSOOPFHSA-N -1 1 375.852 4.047 20 0 GIADMM CCOc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186697778 822939819 /nfs/dbraw/zinc/93/98/19/822939819.db2.gz CXJKCJAYIAZECC-YWZLYKJASA-N -1 1 389.879 4.342 20 0 GIADMM CCCCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000055157360 822942544 /nfs/dbraw/zinc/94/25/44/822942544.db2.gz IVOBHJHVMKCBEK-UHFFFAOYSA-N -1 1 376.403 4.185 20 0 GIADMM CCOc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)cc(Cl)c1[O-] ZINC000186772895 822952963 /nfs/dbraw/zinc/95/29/63/822952963.db2.gz VERLUJZNDDESLC-UHFFFAOYSA-N -1 1 378.831 4.436 20 0 GIADMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000175415303 822963489 /nfs/dbraw/zinc/96/34/89/822963489.db2.gz MIWHNSOGULTKIN-UHFFFAOYSA-N -1 1 389.499 4.319 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc(Cl)c1[O-] ZINC000186835601 822964125 /nfs/dbraw/zinc/96/41/25/822964125.db2.gz PJQWKFKCSCCSFI-KUHUBIRLSA-N -1 1 389.879 4.355 20 0 GIADMM CCOc1cc(C(=O)NC[C@H](OC)c2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000186839595 822965092 /nfs/dbraw/zinc/96/50/92/822965092.db2.gz XWAMNMQKJMCZLP-INIZCTEOSA-N -1 1 384.259 4.215 20 0 GIADMM C[C@H]1CCC[C@@H](CNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000055480598 822968665 /nfs/dbraw/zinc/96/86/65/822968665.db2.gz LIOYTDJYLOTNAD-QWHCGFSZSA-N -1 1 378.929 4.204 20 0 GIADMM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(Br)c1[O-] ZINC000055492764 822970565 /nfs/dbraw/zinc/97/05/65/822970565.db2.gz ODTBTFDDDMHHIR-UHFFFAOYSA-N -1 1 395.278 4.135 20 0 GIADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc2o1 ZINC000055586264 822982550 /nfs/dbraw/zinc/98/25/50/822982550.db2.gz GTXMRDAURXQDJJ-UHFFFAOYSA-N -1 1 399.472 4.027 20 0 GIADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000055600509 822985917 /nfs/dbraw/zinc/98/59/17/822985917.db2.gz ADPPSJKLUUCCNH-UHFFFAOYSA-N -1 1 388.367 4.075 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C)c1O ZINC000055616254 822987947 /nfs/dbraw/zinc/98/79/47/822987947.db2.gz IHNGQEPJQYFDQF-UHFFFAOYSA-N -1 1 377.796 4.065 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000055619766 822988423 /nfs/dbraw/zinc/98/84/23/822988423.db2.gz WGOHHQIZVHYVTC-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C ZINC000055674264 822996978 /nfs/dbraw/zinc/99/69/78/822996978.db2.gz XWUHXSHZGCUBHU-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc1 ZINC000570026941 822998813 /nfs/dbraw/zinc/99/88/13/822998813.db2.gz RNRMNFXFJJYENY-KRWDZBQOSA-N -1 1 398.528 4.201 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1OC ZINC000055688058 822999598 /nfs/dbraw/zinc/99/95/98/822999598.db2.gz HJOAOJREEORTOT-UHFFFAOYSA-N -1 1 399.468 4.084 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1F ZINC000187068728 823006258 /nfs/dbraw/zinc/00/62/58/823006258.db2.gz RDHRBBXOTZUPMK-UHFFFAOYSA-N -1 1 388.258 4.014 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(Cl)ccc1F ZINC000570469139 823042008 /nfs/dbraw/zinc/04/20/08/823042008.db2.gz YPCZTLNKUMLSNF-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CCCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000060619356 823548559 /nfs/dbraw/zinc/54/85/59/823548559.db2.gz ZTILEQHXQHQISO-UHFFFAOYSA-N -1 1 394.924 4.321 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc3c(c2)CCC3)cc1 ZINC000060693463 823553041 /nfs/dbraw/zinc/55/30/41/823553041.db2.gz CIXSUNXJIIOPPL-UHFFFAOYSA-N -1 1 392.528 4.111 20 0 GIADMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000190232472 823553679 /nfs/dbraw/zinc/55/36/79/823553679.db2.gz QGLKVZHHIDKSAX-KRWDZBQOSA-N -1 1 396.468 4.156 20 0 GIADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2oc3ccccc3c2C)c(=O)[n-]1 ZINC000060787349 823557509 /nfs/dbraw/zinc/55/75/09/823557509.db2.gz VAIBNXDZDAGWFI-CYBMUJFWSA-N -1 1 386.473 4.092 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc(Cl)c1[O-] ZINC000190299414 823560371 /nfs/dbraw/zinc/56/03/71/823560371.db2.gz XQDCDQIHGQKSQV-UHFFFAOYSA-N -1 1 386.839 4.007 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]c1-c1ccccc1 ZINC000461116928 823580668 /nfs/dbraw/zinc/58/06/68/823580668.db2.gz ZEFJHDVQGKAXQH-UHFFFAOYSA-N -1 1 387.408 4.266 20 0 GIADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000461119523 823581168 /nfs/dbraw/zinc/58/11/68/823581168.db2.gz YTTHSFXCIIYYGC-UHFFFAOYSA-N -1 1 396.640 4.490 20 0 GIADMM Cc1ccc(-c2csc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)n2)s1 ZINC000124512908 823602513 /nfs/dbraw/zinc/60/25/13/823602513.db2.gz WODZLKPGQSZZLG-UHFFFAOYSA-N -1 1 388.518 4.122 20 0 GIADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461337609 823620257 /nfs/dbraw/zinc/62/02/57/823620257.db2.gz DQSFENRGMXPYKO-IMFGXOCKSA-N -1 1 398.528 4.186 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n(C)nc3c2)c2ccccc12 ZINC000461344910 823621221 /nfs/dbraw/zinc/62/12/21/823621221.db2.gz ZXZDPSUDZRHRJV-UHFFFAOYSA-N -1 1 395.484 4.234 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1c(F)cccc1F ZINC000062481936 823637850 /nfs/dbraw/zinc/63/78/50/823637850.db2.gz PSQPNKKHQSKMRX-LBPRGKRZSA-N -1 1 383.416 4.035 20 0 GIADMM COc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1OC ZINC000191030002 823639910 /nfs/dbraw/zinc/63/99/10/823639910.db2.gz YJEAXEXXABAXFU-UHFFFAOYSA-N -1 1 393.827 4.267 20 0 GIADMM O=C(Nc1cc([O-])c(Br)cc1Br)C12CCC(CC1)C2 ZINC000412288385 823643126 /nfs/dbraw/zinc/64/31/26/823643126.db2.gz JRTUWVVPYAPOCO-UHFFFAOYSA-N -1 1 389.087 4.436 20 0 GIADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412293845 823643605 /nfs/dbraw/zinc/64/36/05/823643605.db2.gz SUVMMYZOHNMTPU-HTQZYQBOSA-N -1 1 377.076 4.292 20 0 GIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1 ZINC000063147458 823652981 /nfs/dbraw/zinc/65/29/81/823652981.db2.gz NILADEDAVXEOAY-UHFFFAOYSA-N -1 1 379.478 4.074 20 0 GIADMM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)cc1 ZINC000063177801 823654343 /nfs/dbraw/zinc/65/43/43/823654343.db2.gz ASUOMTBURDBJHL-UHFFFAOYSA-N -1 1 392.477 4.235 20 0 GIADMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000063311392 823661666 /nfs/dbraw/zinc/66/16/66/823661666.db2.gz JUHZVQLYGILNKB-UHFFFAOYSA-N -1 1 394.345 4.320 20 0 GIADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000063442620 823671733 /nfs/dbraw/zinc/67/17/33/823671733.db2.gz WPTMKMYEHTVLBP-UHFFFAOYSA-N -1 1 397.496 4.155 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000063444051 823671896 /nfs/dbraw/zinc/67/18/96/823671896.db2.gz MGRRFZGBCGIVKQ-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM COc1ccc2c(c1)oc(C(=O)[N-]NC(=O)OC(C)(C)C)c2-c1ccccc1 ZINC000063460480 823672889 /nfs/dbraw/zinc/67/28/89/823672889.db2.gz VXPUQFYQVMGRAY-UHFFFAOYSA-N -1 1 382.416 4.278 20 0 GIADMM O=C1C(=Cc2ccc([O-])c(Cl)c2)NC(=S)N1c1ccccc1C(F)(F)F ZINC000125434497 823675956 /nfs/dbraw/zinc/67/59/56/823675956.db2.gz JNICJXFWKPOPCV-WQLSENKSSA-N -1 1 398.793 4.327 20 0 GIADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000461798746 823697017 /nfs/dbraw/zinc/69/70/17/823697017.db2.gz CKHSBAPMEHJKHE-MLGOLLRUSA-N -1 1 394.443 4.140 20 0 GIADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000063849445 823701868 /nfs/dbraw/zinc/70/18/68/823701868.db2.gz PFJCXQGQXBYKBH-UHFFFAOYSA-N -1 1 384.295 4.175 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C3CCCC3)[nH]n2)c1 ZINC000125759864 823705370 /nfs/dbraw/zinc/70/53/70/823705370.db2.gz IBQQNPRWXBIHTD-UHFFFAOYSA-N -1 1 396.520 4.326 20 0 GIADMM Cc1ccc(NC(=O)[C@@H](C)CC(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000413156788 823717633 /nfs/dbraw/zinc/71/76/33/823717633.db2.gz SIVKGFAKMXJDTM-ZDUSSCGKSA-N -1 1 382.432 4.026 20 0 GIADMM Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163882696 823756564 /nfs/dbraw/zinc/75/65/64/823756564.db2.gz DJFVWTAIWFLGDV-MRXNPFEDSA-N -1 1 393.512 4.481 20 0 GIADMM Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000163890893 823757739 /nfs/dbraw/zinc/75/77/39/823757739.db2.gz KJIVGRFJKWSEIK-HNNXBMFYSA-N -1 1 379.485 4.173 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)nc1-c1ccccc1 ZINC000163925920 823761495 /nfs/dbraw/zinc/76/14/95/823761495.db2.gz MUWAUKCGOKSEJD-BEFAXECRSA-N -1 1 399.560 4.263 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nc1-c1ccccc1 ZINC000163925345 823761745 /nfs/dbraw/zinc/76/17/45/823761745.db2.gz OEKDFUKHRCAZNA-HNAYVOBHSA-N -1 1 399.560 4.121 20 0 GIADMM Cc1ccc(-c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)o1 ZINC000574751617 823818285 /nfs/dbraw/zinc/81/82/85/823818285.db2.gz PBJKRGLDRWGQGY-UHFFFAOYSA-N -1 1 381.413 4.106 20 0 GIADMM CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc21 ZINC000462085297 823823992 /nfs/dbraw/zinc/82/39/92/823823992.db2.gz SOKJXRXFCQDSFN-UHFFFAOYSA-N -1 1 398.440 4.215 20 0 GIADMM C[C@@H](C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccccc1 ZINC000126464552 823874690 /nfs/dbraw/zinc/87/46/90/823874690.db2.gz LDUCQHZHUMCEQW-CQSZACIVSA-N -1 1 390.464 4.499 20 0 GIADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(OCCC(C)C)c2)c1 ZINC000064879924 823905714 /nfs/dbraw/zinc/90/57/14/823905714.db2.gz XLFRXJJFKCSINA-UHFFFAOYSA-N -1 1 390.505 4.044 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)N3CC[C@@H]3C3CC3)ccc2C)c1 ZINC000575094456 823910804 /nfs/dbraw/zinc/91/08/04/823910804.db2.gz WVLAHRXLPGZKCZ-LJQANCHMSA-N -1 1 399.516 4.120 20 0 GIADMM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000064938301 823915877 /nfs/dbraw/zinc/91/58/77/823915877.db2.gz FNISSTUDYGSCRU-UHFFFAOYSA-N -1 1 385.407 4.433 20 0 GIADMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000065070375 823935428 /nfs/dbraw/zinc/93/54/28/823935428.db2.gz CHEJLKMESZOWFU-UHFFFAOYSA-N -1 1 394.924 4.143 20 0 GIADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000192389402 823968409 /nfs/dbraw/zinc/96/84/09/823968409.db2.gz AKDVZOUTPOANKY-UHFFFAOYSA-N -1 1 388.670 4.106 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000414381870 823969937 /nfs/dbraw/zinc/96/99/37/823969937.db2.gz NKCVHIKRKWPXIZ-MRXNPFEDSA-N -1 1 384.501 4.145 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(F)cc2nccnc21 ZINC000170803623 823975245 /nfs/dbraw/zinc/97/52/45/823975245.db2.gz NDXQOEHSBXZGJX-UHFFFAOYSA-N -1 1 385.811 4.193 20 0 GIADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000126915159 823979519 /nfs/dbraw/zinc/97/95/19/823979519.db2.gz DBGXDLFXHVZEFM-UHFFFAOYSA-N -1 1 389.521 4.152 20 0 GIADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)c(C)n1 ZINC000414457906 823988989 /nfs/dbraw/zinc/98/89/89/823988989.db2.gz LRDDHSKYMKCSHY-UHFFFAOYSA-N -1 1 387.274 4.018 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccccc3[C@@H]2C)cc1 ZINC000170951529 824014878 /nfs/dbraw/zinc/01/48/78/824014878.db2.gz YKVMXIUXYPOBEH-INIZCTEOSA-N -1 1 392.528 4.452 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(OC(F)(F)F)c1 ZINC000024222254 221612180 /nfs/dbraw/zinc/61/21/80/221612180.db2.gz HJUOLXKKIHQXRN-UHFFFAOYSA-N -1 1 396.184 4.149 20 0 GIADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000187433783 823062560 /nfs/dbraw/zinc/06/25/60/823062560.db2.gz IBWPMBNDQVXEEA-OXQOHEQNSA-N -1 1 386.517 4.056 20 0 GIADMM COC(=O)c1c[n-]c(SCc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000187592871 823094190 /nfs/dbraw/zinc/09/41/90/823094190.db2.gz LDVZGJLJDHMNFZ-UHFFFAOYSA-N -1 1 395.893 4.178 20 0 GIADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000121016643 823103329 /nfs/dbraw/zinc/10/33/29/823103329.db2.gz UDHQGBDJZFJRBB-UHFFFAOYSA-N -1 1 397.435 4.246 20 0 GIADMM CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])[C@H](C)C(C)C ZINC000571059058 823126209 /nfs/dbraw/zinc/12/62/09/823126209.db2.gz IEQWHEOQAXBJET-CYBMUJFWSA-N -1 1 390.430 4.429 20 0 GIADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@H](COCc2ccccc2)C1 ZINC000571227996 823151962 /nfs/dbraw/zinc/15/19/62/823151962.db2.gz LZWDUJRIRQNCLP-INIZCTEOSA-N -1 1 396.874 4.273 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(CC2CC2)c2ccccc2)cc1 ZINC000176205304 823152291 /nfs/dbraw/zinc/15/22/91/823152291.db2.gz UMFZCWJEDVTVJG-UHFFFAOYSA-N -1 1 394.500 4.059 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCc3ccccc3[C@H]2C)c1 ZINC000176249151 823162924 /nfs/dbraw/zinc/16/29/24/823162924.db2.gz VVICQAQUYFEYNO-MRXNPFEDSA-N -1 1 392.528 4.452 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1 ZINC000176255340 823164035 /nfs/dbraw/zinc/16/40/35/823164035.db2.gz OPOFAQYHWYERQL-INIZCTEOSA-N -1 1 386.517 4.056 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2(CC)CCC2)cc1 ZINC000176259603 823165207 /nfs/dbraw/zinc/16/52/07/823165207.db2.gz VAJSSTBRAVNNDZ-UHFFFAOYSA-N -1 1 388.537 4.093 20 0 GIADMM CC1=C(C)C[C@@H](C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000571331015 823166572 /nfs/dbraw/zinc/16/65/72/823166572.db2.gz KQUMLBUZIVJOAN-SFHVURJKSA-N -1 1 398.528 4.240 20 0 GIADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000188327074 823220003 /nfs/dbraw/zinc/22/00/03/823220003.db2.gz BOCGTWAYIOYSAA-UHFFFAOYSA-N -1 1 396.896 4.141 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000176537012 823231924 /nfs/dbraw/zinc/23/19/24/823231924.db2.gz MAOFRRXYWWVSJD-LPHOPBHVSA-N -1 1 392.528 4.321 20 0 GIADMM CSc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)o1 ZINC000176587572 823242761 /nfs/dbraw/zinc/24/27/61/823242761.db2.gz ZVYAEGJMTLTDQW-UHFFFAOYSA-N -1 1 398.465 4.324 20 0 GIADMM C[C@@H]1CCC[C@H](C)N(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000176603647 823246490 /nfs/dbraw/zinc/24/64/90/823246490.db2.gz MRBSBINMSCROED-OLZOCXBDSA-N -1 1 378.929 4.298 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)c2ccccc12 ZINC000057118101 823250559 /nfs/dbraw/zinc/25/05/59/823250559.db2.gz MMJMHYFHDCHMQZ-UHFFFAOYSA-N -1 1 398.484 4.306 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)ccc1C ZINC000176688649 823268398 /nfs/dbraw/zinc/26/83/98/823268398.db2.gz FURCROUXHGULNS-UHFFFAOYSA-N -1 1 386.395 4.081 20 0 GIADMM Cc1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000005172056 817557522 /nfs/dbraw/zinc/55/75/22/817557522.db2.gz LIAVHHCGYBOSPZ-UHFFFAOYSA-N -1 1 376.437 4.317 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000176724939 823278257 /nfs/dbraw/zinc/27/82/57/823278257.db2.gz YUSXCDKEFOQIPV-UHFFFAOYSA-N -1 1 386.448 4.217 20 0 GIADMM C[C@@H](Nc1ccc(OC2COC2)cc1)c1cc(Br)cc(F)c1[O-] ZINC000188645211 823279658 /nfs/dbraw/zinc/27/96/58/823279658.db2.gz ZBPPCTNHYFXBED-SNVBAGLBSA-N -1 1 382.229 4.245 20 0 GIADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000006293839 817674067 /nfs/dbraw/zinc/67/40/67/817674067.db2.gz NULCVJLNFXFBMV-UHFFFAOYSA-N -1 1 393.679 4.406 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)/C=C/c1ccccc1Cl ZINC000006429195 817690521 /nfs/dbraw/zinc/69/05/21/817690521.db2.gz XOTUEUHRIMBVCW-VAWYXSNFSA-N -1 1 397.887 4.246 20 0 GIADMM O=C(CCCc1c[nH]c2ccccc12)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007339346 817820327 /nfs/dbraw/zinc/82/03/27/817820327.db2.gz HLUQWKGOMNBKDJ-UHFFFAOYSA-N -1 1 377.396 4.046 20 0 GIADMM Cc1ccc(C(C)C)c(OCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000007805100 817921217 /nfs/dbraw/zinc/92/12/17/817921217.db2.gz MXPNSWTWOPIWJW-UHFFFAOYSA-N -1 1 382.412 4.053 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3O)c2)c1 ZINC000008033672 817986666 /nfs/dbraw/zinc/98/66/66/817986666.db2.gz XDMLAWHGKUESTF-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C ZINC000057505421 823305197 /nfs/dbraw/zinc/30/51/97/823305197.db2.gz STUPOFCJKBFMLO-UHFFFAOYSA-N -1 1 380.469 4.279 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000008195766 818016527 /nfs/dbraw/zinc/01/65/27/818016527.db2.gz BMMHPLURGOCALU-QGZVFWFLSA-N -1 1 394.496 4.287 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000008207243 818018531 /nfs/dbraw/zinc/01/85/31/818018531.db2.gz ZRPPVAVLUFJALR-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000011443218 818081693 /nfs/dbraw/zinc/08/16/93/818081693.db2.gz ZRBOJZCSQGFCLN-VIFPVBQESA-N -1 1 386.304 4.149 20 0 GIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000012647388 818174079 /nfs/dbraw/zinc/17/40/79/818174079.db2.gz BPTPDYHCGZIYFQ-UHFFFAOYSA-N -1 1 397.884 4.165 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cc(F)ccc1F ZINC000014256573 818230428 /nfs/dbraw/zinc/23/04/28/818230428.db2.gz DNRSEQDEVQSHRS-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000015414892 818323356 /nfs/dbraw/zinc/32/33/56/818323356.db2.gz AMDBJQDJSYIHNF-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC(C)C ZINC000015892044 818377925 /nfs/dbraw/zinc/37/79/25/818377925.db2.gz PSHLQGFOPIEPFL-UHFFFAOYSA-N -1 1 396.896 4.134 20 0 GIADMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000122372064 823345457 /nfs/dbraw/zinc/34/54/57/823345457.db2.gz ONOFYSSYCSLUIY-UHFFFAOYSA-N -1 1 398.875 4.090 20 0 GIADMM Cc1ccc(CCCC(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C)s2)s1 ZINC000177001641 823346971 /nfs/dbraw/zinc/34/69/71/823346971.db2.gz AJOJYSNVKSTZOL-UHFFFAOYSA-N -1 1 393.563 4.241 20 0 GIADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1C ZINC000021781486 818737317 /nfs/dbraw/zinc/73/73/17/818737317.db2.gz LWSKUXQFVZCURM-QINHECLXSA-N -1 1 386.517 4.042 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@H]1c1cccs1 ZINC000022131837 818774739 /nfs/dbraw/zinc/77/47/39/818774739.db2.gz HZVOBRRTZLEVJH-NSHDSACASA-N -1 1 376.532 4.094 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2ccccc2[nH]1 ZINC000058255519 823372009 /nfs/dbraw/zinc/37/20/09/823372009.db2.gz LPWMGOVAKCJBIF-UHFFFAOYSA-N -1 1 391.452 4.221 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000023445094 818941790 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GIADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc3onc(C(C)(C)C)c3c2)c(F)c1F ZINC000461085170 823573433 /nfs/dbraw/zinc/57/34/33/823573433.db2.gz HNGFXEVIMJJJTG-UHFFFAOYSA-N -1 1 391.349 4.393 20 0 GIADMM C[C@@H](C(=O)Nc1cccc(NCc2c([O-])ccc(Cl)c2F)c1)n1cccn1 ZINC000190825762 823613509 /nfs/dbraw/zinc/61/35/09/823613509.db2.gz RVGWJHKJSCVPHB-LBPRGKRZSA-N -1 1 388.830 4.193 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(Cl)c1 ZINC000461334325 823619410 /nfs/dbraw/zinc/61/94/10/823619410.db2.gz UHWWDCYHYGPBHY-UHFFFAOYSA-N -1 1 398.815 4.180 20 0 GIADMM CCC(=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC)cc1 ZINC000124863469 823632269 /nfs/dbraw/zinc/63/22/69/823632269.db2.gz LGUMCKBMKBHANZ-MSUUIHNZSA-N -1 1 393.483 4.316 20 0 GIADMM COc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)ccc1F ZINC000191003251 823637122 /nfs/dbraw/zinc/63/71/22/823637122.db2.gz YQPVKYNVXSGBPG-UHFFFAOYSA-N -1 1 388.258 4.014 20 0 GIADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000063147040 823652775 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CCc1nc(SCc2nc3ccc(Br)cc3o2)[n-]c(=O)c1C ZINC000574339372 823704831 /nfs/dbraw/zinc/70/48/31/823704831.db2.gz GJLQQYFODXGJGH-UHFFFAOYSA-N -1 1 380.267 4.249 20 0 GIADMM Cc1c(C(=O)[O-])cnn1C1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000574407838 823721893 /nfs/dbraw/zinc/72/18/93/823721893.db2.gz YWGFAXFGRAZBSN-GFCCVEGCSA-N -1 1 392.297 4.050 20 0 GIADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Br)c1 ZINC000461905581 823748058 /nfs/dbraw/zinc/74/80/58/823748058.db2.gz UDTKHTWZUXLDMG-LLVKDONJSA-N -1 1 386.249 4.287 20 0 GIADMM Cc1c(=O)[n-]c(SCC2CCN(C(=O)C(C)(C)C)CC2)nc1-c1ccccc1 ZINC000163940908 823763280 /nfs/dbraw/zinc/76/32/80/823763280.db2.gz XSMQTINXIXQJCN-UHFFFAOYSA-N -1 1 399.560 4.122 20 0 GIADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000126009722 823765660 /nfs/dbraw/zinc/76/56/60/823765660.db2.gz UNRBZPVFVXAOLE-UHFFFAOYSA-N -1 1 381.791 4.398 20 0 GIADMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000191788060 823768426 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O=S(=O)([N-]c1ccc(OCc2ccccc2F)cc1)c1cccc(F)c1 ZINC000064478385 823827424 /nfs/dbraw/zinc/82/74/24/823827424.db2.gz BRBDAZWJRUSILY-UHFFFAOYSA-N -1 1 375.396 4.345 20 0 GIADMM CCCNC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000192207468 823902566 /nfs/dbraw/zinc/90/25/66/823902566.db2.gz QWZWFBBVOZJHPH-UHFFFAOYSA-N -1 1 382.247 4.483 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000192215755 823905721 /nfs/dbraw/zinc/90/57/21/823905721.db2.gz CAIDEXBQVVNZJG-CYBMUJFWSA-N -1 1 380.803 4.387 20 0 GIADMM O=S(=O)([N-]c1cccc(COCCc2ccccc2)c1)c1cccc(F)c1 ZINC000064938618 823915936 /nfs/dbraw/zinc/91/59/36/823915936.db2.gz LPXVGFYAHAFRFZ-UHFFFAOYSA-N -1 1 385.460 4.386 20 0 GIADMM O=C([O-])c1ccc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)o1 ZINC000575131064 823919728 /nfs/dbraw/zinc/91/97/28/823919728.db2.gz SCCFRCXJKIFSPN-OAHLLOKOSA-N -1 1 387.480 4.253 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)c1 ZINC000126680493 823925959 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GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000414383463 823970348 /nfs/dbraw/zinc/97/03/48/823970348.db2.gz ROQOEDXALSVCHY-UHFFFAOYSA-N -1 1 384.501 4.147 20 0 GIADMM Cc1cc(C(=O)N2CCSCC2)ccc1NCc1cccc([O-])c1Cl ZINC000414456450 823988549 /nfs/dbraw/zinc/98/85/49/823988549.db2.gz DMKGUJIESFFFBP-UHFFFAOYSA-N -1 1 376.909 4.155 20 0 GIADMM O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008287806 221034513 /nfs/dbraw/zinc/03/45/13/221034513.db2.gz XRLGYRIPZDCUHG-UHFFFAOYSA-N -1 1 388.395 4.018 20 0 GIADMM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)cc1 ZINC000008287038 221034865 /nfs/dbraw/zinc/03/48/65/221034865.db2.gz FNRJUVBPRYOSSU-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000071976564 222202077 /nfs/dbraw/zinc/20/20/77/222202077.db2.gz VHFJMDFFKBVVAL-UHFFFAOYSA-N -1 1 394.496 4.165 20 0 GIADMM C[C@H](c1ccccc1)N(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC1CCC1 ZINC000736722675 600719735 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CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000187727724 823120745 /nfs/dbraw/zinc/12/07/45/823120745.db2.gz GRTKZTONAYPTEA-KXBFYZLASA-N -1 1 387.505 4.140 20 0 GIADMM CCC1(CC)[C@H](N(C)Cc2ccc(C(=O)[O-])cc2Br)C[C@@H]1OC ZINC000571055029 823125925 /nfs/dbraw/zinc/12/59/25/823125925.db2.gz UZRHIVZHOCBICP-CVEARBPZSA-N -1 1 384.314 4.173 20 0 GIADMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176203939 823152013 /nfs/dbraw/zinc/15/20/13/823152013.db2.gz IQBVQUXYVCAUKB-UHFFFAOYSA-N -1 1 398.513 4.217 20 0 GIADMM CCS[C@H]1CCCC[C@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176219368 823155276 /nfs/dbraw/zinc/15/52/76/823155276.db2.gz ULYFJFDUCZEFGO-OLZOCXBDSA-N -1 1 396.607 4.240 20 0 GIADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)ccc1F ZINC000571311119 823163902 /nfs/dbraw/zinc/16/39/02/823163902.db2.gz YORMFTFAICOQSU-UHFFFAOYSA-N -1 1 375.343 4.156 20 0 GIADMM O=C(Nc1nnn[n-]1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC000121433876 823183499 /nfs/dbraw/zinc/18/34/99/823183499.db2.gz LLLVELWYGOWHFZ-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM O=C(Nc1nn[n-]n1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC000121433876 823183503 /nfs/dbraw/zinc/18/35/03/823183503.db2.gz LLLVELWYGOWHFZ-UHFFFAOYSA-N -1 1 380.260 4.051 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000571502038 823192852 /nfs/dbraw/zinc/19/28/52/823192852.db2.gz BLDPODSBPPSALJ-FHLIZLRMSA-N -1 1 399.560 4.234 20 0 GIADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000188144135 823193361 /nfs/dbraw/zinc/19/33/61/823193361.db2.gz UCJNMFNBFLREHB-VIFPVBQESA-N -1 1 383.395 4.198 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000121574725 823209072 /nfs/dbraw/zinc/20/90/72/823209072.db2.gz OFTWNFSYESSDNO-UHFFFAOYSA-N -1 1 387.534 4.309 20 0 GIADMM COc1cc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC(F)F ZINC000571648591 823214250 /nfs/dbraw/zinc/21/42/50/823214250.db2.gz XIBJSOLXLHXDLU-UHFFFAOYSA-N -1 1 385.794 4.280 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)nn3)cc2)c1 ZINC000176492779 823220104 /nfs/dbraw/zinc/22/01/04/823220104.db2.gz NVFUBPMOCMNTIH-UHFFFAOYSA-N -1 1 389.864 4.286 20 0 GIADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000571728987 823226240 /nfs/dbraw/zinc/22/62/40/823226240.db2.gz OMFLICWNAXDRFD-UHFFFAOYSA-N -1 1 399.468 4.080 20 0 GIADMM O=C(NN=c1ccc(-c2ccccc2)n[n-]1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188389855 823231860 /nfs/dbraw/zinc/23/18/60/823231860.db2.gz WCGINYOAGAUCPK-UHFFFAOYSA-N -1 1 396.863 4.006 20 0 GIADMM COc1ccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1OC(F)F ZINC000121701576 823233633 /nfs/dbraw/zinc/23/36/33/823233633.db2.gz UGGKJARLZNJDCL-UHFFFAOYSA-N -1 1 387.382 4.428 20 0 GIADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000571809225 823237591 /nfs/dbraw/zinc/23/75/91/823237591.db2.gz IFAFCDHWKHVNIR-BDJLRTHQSA-N -1 1 393.459 4.214 20 0 GIADMM CCc1nc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1C ZINC000571821803 823239710 /nfs/dbraw/zinc/23/97/10/823239710.db2.gz UWBZEFXUSNWXIS-SNVBAGLBSA-N -1 1 385.411 4.191 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000057126374 823251649 /nfs/dbraw/zinc/25/16/49/823251649.db2.gz SJZFQKBQMYBCNM-UHFFFAOYSA-N -1 1 382.441 4.186 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000176638765 823254940 /nfs/dbraw/zinc/25/49/40/823254940.db2.gz LHZHERFXBRYBOB-UHFFFAOYSA-N -1 1 380.469 4.298 20 0 GIADMM O=C(Cc1ccccc1F)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005174180 817557402 /nfs/dbraw/zinc/55/74/02/817557402.db2.gz SIPKYZDOYODLAJ-UHFFFAOYSA-N -1 1 394.427 4.077 20 0 GIADMM Cc1ccccc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171750 817557566 /nfs/dbraw/zinc/55/75/66/817557566.db2.gz RYKOIMZRNABMGN-UHFFFAOYSA-N -1 1 376.437 4.317 20 0 GIADMM CCOc1ccc(NC(=O)Cc2sc(Nc3cc(C)ccc3C)nc2[O-])cc1 ZINC000005673565 817607955 /nfs/dbraw/zinc/60/79/55/817607955.db2.gz CTIIFGOZWAQLSI-SFHVURJKSA-N -1 1 397.500 4.141 20 0 GIADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(Br)s1 ZINC000176728402 823279099 /nfs/dbraw/zinc/27/90/99/823279099.db2.gz UAMUHNGKYHFITC-UHFFFAOYSA-N -1 1 388.642 4.243 20 0 GIADMM CCS[C@@H]1CCC[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000176728397 823279268 /nfs/dbraw/zinc/27/92/68/823279268.db2.gz VHPKGCWYZZTMAJ-HZPDHXFCSA-N -1 1 390.578 4.097 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000005976301 817634734 /nfs/dbraw/zinc/63/47/34/817634734.db2.gz VSZSKVLDDVWIBS-UHFFFAOYSA-N -1 1 392.786 4.118 20 0 GIADMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1Cl ZINC000176732067 823280087 /nfs/dbraw/zinc/28/00/87/823280087.db2.gz XLQDOKDBHPHGHA-UHFFFAOYSA-N -1 1 384.910 4.130 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(O)cc3)ccc2C)cc1 ZINC000057289267 823276308 /nfs/dbraw/zinc/27/63/08/823276308.db2.gz DZLPTOGTBUFUQE-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C[C@@H](C)c1ccccc1 ZINC000006429166 817690492 /nfs/dbraw/zinc/69/04/92/817690492.db2.gz JAZCZMBDFSGGAQ-CQSZACIVSA-N -1 1 379.485 4.073 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3C)c2)c1 ZINC000006981490 817733959 /nfs/dbraw/zinc/73/39/59/817733959.db2.gz GYOLNADGQZZVIN-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)cc1OC ZINC000007056014 817748706 /nfs/dbraw/zinc/74/87/06/817748706.db2.gz AEDCUBARPAYTAS-UHFFFAOYSA-N -1 1 383.425 4.404 20 0 GIADMM Cc1cc(OCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccc1C(C)C ZINC000007239860 817802235 /nfs/dbraw/zinc/80/22/35/817802235.db2.gz AYVGUSVJGXMEEW-UHFFFAOYSA-N -1 1 382.412 4.053 20 0 GIADMM Cc1sc2nc(SCC(=O)c3ccc([O-])cc3)n(C(C)C)c(=O)c2c1C ZINC000007620822 817881590 /nfs/dbraw/zinc/88/15/90/817881590.db2.gz UFBAKULHTYTZAN-UHFFFAOYSA-N -1 1 388.514 4.336 20 0 GIADMM O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc([O-])cc1 ZINC000007631030 817883149 /nfs/dbraw/zinc/88/31/49/817883149.db2.gz PHZNUSGUCOYRJZ-UHFFFAOYSA-N -1 1 391.246 4.180 20 0 GIADMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c(F)cc1F ZINC000122051704 823299103 /nfs/dbraw/zinc/29/91/03/823299103.db2.gz XDARKWKLUJZNOW-UHFFFAOYSA-N -1 1 392.745 4.312 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(O)cc2)c1 ZINC000057559983 823309756 /nfs/dbraw/zinc/30/97/56/823309756.db2.gz DXYLUKKQNUEEQI-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM COc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000015353094 818315937 /nfs/dbraw/zinc/31/59/37/818315937.db2.gz YAMMQWOGXKQNPE-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000015412075 818322837 /nfs/dbraw/zinc/32/28/37/818322837.db2.gz CQOZHFAOYPWXTR-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=O)CSc1ccc(Cl)cc1 ZINC000015431415 818325074 /nfs/dbraw/zinc/32/50/74/818325074.db2.gz JHTGGJKHZAGKRQ-UHFFFAOYSA-N -1 1 392.839 4.087 20 0 GIADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H]1CC=CCC1 ZINC000015630483 818350678 /nfs/dbraw/zinc/35/06/78/818350678.db2.gz GYMBWNFERMSWQX-AWEZNQCLSA-N -1 1 390.892 4.436 20 0 GIADMM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000409868967 823331089 /nfs/dbraw/zinc/33/10/89/823331089.db2.gz YUIICPQOMWERHU-UHFFFAOYSA-N -1 1 392.908 4.203 20 0 GIADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017129103 818501434 /nfs/dbraw/zinc/50/14/34/818501434.db2.gz AOBNMMORJSFWPH-UHFFFAOYSA-N -1 1 388.533 4.171 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)c1 ZINC000017356935 818511979 /nfs/dbraw/zinc/51/19/79/818511979.db2.gz GFMZJYYBJIJFCC-UHFFFAOYSA-N -1 1 386.517 4.201 20 0 GIADMM CCc1cncc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000572450946 823342075 /nfs/dbraw/zinc/34/20/75/823342075.db2.gz ICZJJKDFRPDPRN-UHFFFAOYSA-N -1 1 395.484 4.006 20 0 GIADMM CC(C)Oc1ccc(NC(=S)N[N-]C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000057970816 823351694 /nfs/dbraw/zinc/35/16/94/823351694.db2.gz ALZRXKOGGQQRMU-UHFFFAOYSA-N -1 1 398.315 4.412 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(F)c2)cc1 ZINC000021216937 818665235 /nfs/dbraw/zinc/66/52/35/818665235.db2.gz AHIXWHJUZZXFCT-UHFFFAOYSA-N -1 1 386.452 4.174 20 0 GIADMM C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058993 823358588 /nfs/dbraw/zinc/35/85/88/823358588.db2.gz DZYFVELSZQVLKW-MQQKCMAXSA-N -1 1 376.865 4.212 20 0 GIADMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cc(F)cc(F)c1 ZINC000022030179 818765533 /nfs/dbraw/zinc/76/55/33/818765533.db2.gz RGBSZSKYBZLSLN-UHFFFAOYSA-N -1 1 398.390 4.287 20 0 GIADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022067667 818768884 /nfs/dbraw/zinc/76/88/84/818768884.db2.gz ZZPJMTWSAXPNEO-UHFFFAOYSA-N -1 1 392.480 4.228 20 0 GIADMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000022514521 818820167 /nfs/dbraw/zinc/82/01/67/818820167.db2.gz MMQPLHZFBNFWRJ-UHFFFAOYSA-N -1 1 386.517 4.237 20 0 GIADMM CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000022928985 818877686 /nfs/dbraw/zinc/87/76/86/818877686.db2.gz WHMRDDFGAWUHLD-UHFFFAOYSA-N -1 1 378.881 4.354 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)[C@H](C)c2ccccc2)c1 ZINC000177197219 823396782 /nfs/dbraw/zinc/39/67/82/823396782.db2.gz GWOHBTUJRDQUQI-JKSUJKDBSA-N -1 1 380.517 4.225 20 0 GIADMM CCCCC[C@@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000025346988 819967886 /nfs/dbraw/zinc/96/78/86/819967886.db2.gz YJKASCVFHJBHNK-CQSZACIVSA-N -1 1 376.526 4.091 20 0 GIADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741288 820020655 /nfs/dbraw/zinc/02/06/55/820020655.db2.gz PJUOUSDWKPLTOV-UHFFFAOYSA-N -1 1 380.897 4.434 20 0 GIADMM CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000025975341 820045959 /nfs/dbraw/zinc/04/59/59/820045959.db2.gz MHOWWFJMOKADJI-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)N[C@@H](C)CCCC(C)C ZINC000026180901 820067503 /nfs/dbraw/zinc/06/75/03/820067503.db2.gz OVQCKPOFZYGQRB-AWEZNQCLSA-N -1 1 388.537 4.277 20 0 GIADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000026529425 820109084 /nfs/dbraw/zinc/10/90/84/820109084.db2.gz OGEZQQGYWIDQCA-UHFFFAOYSA-N -1 1 383.469 4.180 20 0 GIADMM Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000026534345 820110568 /nfs/dbraw/zinc/11/05/68/820110568.db2.gz DAJZDDFPLTXXEW-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc2cc(F)ccc2s1 ZINC000026951817 820168188 /nfs/dbraw/zinc/16/81/88/820168188.db2.gz XQVLPYOOAYQEOS-UHFFFAOYSA-N -1 1 399.472 4.075 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000026982636 820173044 /nfs/dbraw/zinc/17/30/44/820173044.db2.gz CGQKMMAAWMKBML-UHFFFAOYSA-N -1 1 390.415 4.156 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(C)(C)C)c2)cc1F ZINC000027366461 820232194 /nfs/dbraw/zinc/23/21/94/820232194.db2.gz LMUWPEVFEGCRHP-UHFFFAOYSA-N -1 1 392.496 4.101 20 0 GIADMM Cc1sc(NC(=O)c2c(F)ccc([O-])c2F)nc1-c1c[nH]c2ncccc12 ZINC000573194776 823464169 /nfs/dbraw/zinc/46/41/69/823464169.db2.gz FQAUSSHQZBCMKU-UHFFFAOYSA-N -1 1 386.383 4.231 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncccc3C)c2)c1 ZINC000027651297 820271086 /nfs/dbraw/zinc/27/10/86/820271086.db2.gz VWIUCMJICOJXJE-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCc1ccccc1Cl ZINC000028063790 820308726 /nfs/dbraw/zinc/30/87/26/820308726.db2.gz CDECKKSSCMXCTA-UHFFFAOYSA-N -1 1 399.903 4.166 20 0 GIADMM Cc1ccc(-c2nnc([N-]C(=O)c3csc([C@H]4CCCO4)n3)s2)c(C)c1 ZINC000123140445 823468986 /nfs/dbraw/zinc/46/89/86/823468986.db2.gz SOUJZHBZEHDETM-CQSZACIVSA-N -1 1 386.502 4.382 20 0 GIADMM CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000028275846 820321987 /nfs/dbraw/zinc/32/19/87/820321987.db2.gz XYOMTXKVCXUXCD-GFCCVEGCSA-N -1 1 380.897 4.434 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)cc1C ZINC000029383944 820447713 /nfs/dbraw/zinc/44/77/13/820447713.db2.gz UTDNBSYZQNHKCU-UHFFFAOYSA-N -1 1 398.528 4.023 20 0 GIADMM CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000029431772 820454375 /nfs/dbraw/zinc/45/43/75/820454375.db2.gz ANBCJRBFDQFGNG-KRWDZBQOSA-N -1 1 388.533 4.494 20 0 GIADMM Cc1nc2cc(NC(=O)CCn3c(=S)[n-]nc3-c3ccc(C)cc3)ccc2o1 ZINC000029796188 820520449 /nfs/dbraw/zinc/52/04/49/820520449.db2.gz ZKHWLBCZCNVGEJ-UHFFFAOYSA-N -1 1 393.472 4.395 20 0 GIADMM O=C(NCC1CCCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000029915347 820547452 /nfs/dbraw/zinc/54/74/52/820547452.db2.gz WVTIPMCSMDIPNK-UHFFFAOYSA-N -1 1 392.908 4.061 20 0 GIADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000410403501 823488128 /nfs/dbraw/zinc/48/81/28/823488128.db2.gz RRSDSNBBBXDPSL-UHFFFAOYSA-N -1 1 384.679 4.412 20 0 GIADMM COC(=O)c1cc(-c2csc(NC(=O)c3cc4ccccc4cc3[O-])n2)c[nH]1 ZINC000030985743 820715687 /nfs/dbraw/zinc/71/56/87/820715687.db2.gz QTJXEPUSWOFCBZ-UHFFFAOYSA-N -1 1 393.424 4.036 20 0 GIADMM CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1[O-] ZINC000059803811 823499449 /nfs/dbraw/zinc/49/94/49/823499449.db2.gz UMWOBRMOPQNZMM-UHFFFAOYSA-N -1 1 398.684 4.349 20 0 GIADMM CC(C)CC(C)(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000177637701 823505728 /nfs/dbraw/zinc/50/57/28/823505728.db2.gz VZIBHDJQQMKEHI-UHFFFAOYSA-N -1 1 388.533 4.176 20 0 GIADMM CCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000031377156 820800130 /nfs/dbraw/zinc/80/01/30/820800130.db2.gz HWBQSQYUOLIOQJ-UHFFFAOYSA-N -1 1 394.924 4.259 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000031377100 820800360 /nfs/dbraw/zinc/80/03/60/820800360.db2.gz DQPFVVPTYJOSCH-UHFFFAOYSA-N -1 1 388.533 4.222 20 0 GIADMM C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000031643274 820837527 /nfs/dbraw/zinc/83/75/27/820837527.db2.gz YHCSHQAEKSSDPW-FVQJWRHTSA-N -1 1 392.330 4.329 20 0 GIADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000031669357 820842605 /nfs/dbraw/zinc/84/26/05/820842605.db2.gz KOZZLNCMNIXDNI-UHFFFAOYSA-N -1 1 386.517 4.203 20 0 GIADMM CCOC(=O)/C(=C/c1ccc([O-])c(Cl)c1)c1nccn1Cc1ccccc1 ZINC000060132790 823509513 /nfs/dbraw/zinc/50/95/13/823509513.db2.gz IEIQASPQGUJWDX-SFQUDFHCSA-N -1 1 382.847 4.394 20 0 GIADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)ccc2[nH]1 ZINC000031721877 820851532 /nfs/dbraw/zinc/85/15/32/820851532.db2.gz MZAQBSYSZXKEIV-UHFFFAOYSA-N -1 1 385.489 4.262 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(C)c1 ZINC000032098109 820898314 /nfs/dbraw/zinc/89/83/14/820898314.db2.gz XEWWSVZENZWZCL-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Br)c([O-])c1 ZINC000123500559 823514961 /nfs/dbraw/zinc/51/49/61/823514961.db2.gz DTTUYYLMPHXTMT-ZDUSSCGKSA-N -1 1 382.254 4.261 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000032597279 820975317 /nfs/dbraw/zinc/97/53/17/820975317.db2.gz YEKOUYNNEGYHOF-UHFFFAOYSA-N -1 1 388.876 4.423 20 0 GIADMM Cc1ccc(F)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060401545 823523781 /nfs/dbraw/zinc/52/37/81/823523781.db2.gz ZIRKMHVWBCABDY-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCC3)cc2)c1 ZINC000033054047 821028636 /nfs/dbraw/zinc/02/86/36/821028636.db2.gz PVDFIJOLNAFIAS-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM CSc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1)OCCO2 ZINC000460824398 823522876 /nfs/dbraw/zinc/52/28/76/823522876.db2.gz WSDDYJGQJYEIEV-UHFFFAOYSA-N -1 1 379.503 4.104 20 0 GIADMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1 ZINC000460825958 823523399 /nfs/dbraw/zinc/52/33/99/823523399.db2.gz AFXGIDBGYZJVMF-HNNXBMFYSA-N -1 1 392.496 4.080 20 0 GIADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000460826327 823523460 /nfs/dbraw/zinc/52/34/60/823523460.db2.gz HCAHLLVJHXQROH-UHFFFAOYSA-N -1 1 382.489 4.273 20 0 GIADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1 ZINC000460826347 823523544 /nfs/dbraw/zinc/52/35/44/823523544.db2.gz ACIKYGXOECYQPI-UHFFFAOYSA-N -1 1 399.516 4.081 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000033881319 821060750 /nfs/dbraw/zinc/06/07/50/821060750.db2.gz VIEMHWJTMVPBLQ-UHFFFAOYSA-N -1 1 386.285 4.313 20 0 GIADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000036623634 821072702 /nfs/dbraw/zinc/07/27/02/821072702.db2.gz KKAVIQYVTFSXBK-UHFFFAOYSA-N -1 1 387.650 4.063 20 0 GIADMM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000460834491 823525246 /nfs/dbraw/zinc/52/52/46/823525246.db2.gz BDJTUDVQAPIGKF-UHFFFAOYSA-N -1 1 393.530 4.209 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(Cl)c1 ZINC000041065701 821168322 /nfs/dbraw/zinc/16/83/22/821168322.db2.gz VIYSUBXGQVEIQU-UHFFFAOYSA-N -1 1 396.093 4.260 20 0 GIADMM Cc1ccc(NC(=O)c2cccc(C)c2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000123741955 823536579 /nfs/dbraw/zinc/53/65/79/823536579.db2.gz VPLMHDHENHJIAM-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)Nc1cccc(Cl)c1 ZINC000043466355 821411774 /nfs/dbraw/zinc/41/17/74/821411774.db2.gz JZUPLLDFPSBNLZ-UHFFFAOYSA-N -1 1 386.864 4.238 20 0 GIADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180726747 821420195 /nfs/dbraw/zinc/42/01/95/821420195.db2.gz ZVXZCWXGAZQLQD-UHFFFAOYSA-N -1 1 375.350 4.073 20 0 GIADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180778998 821452479 /nfs/dbraw/zinc/45/24/79/821452479.db2.gz REVYDLDXOPEODR-WBVHZDCISA-N -1 1 397.368 4.278 20 0 GIADMM Cc1ccc(SCCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000043863084 821475512 /nfs/dbraw/zinc/47/55/12/821475512.db2.gz LMTMJVPYZYAEBL-UHFFFAOYSA-N -1 1 398.528 4.097 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000181067557 821617121 /nfs/dbraw/zinc/61/71/21/821617121.db2.gz BUINIAMHLQDVKO-QZTJIDSGSA-N -1 1 398.459 4.093 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000181081662 821623449 /nfs/dbraw/zinc/62/34/49/821623449.db2.gz GTZQPZTZTXFHDF-ROUUACIJSA-N -1 1 398.459 4.093 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c(C)c1F ZINC000181154563 821667232 /nfs/dbraw/zinc/66/72/32/821667232.db2.gz KTPNUOTULWBJEM-UHFFFAOYSA-N -1 1 391.386 4.438 20 0 GIADMM Cc1cccc(F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000181671339 821936455 /nfs/dbraw/zinc/93/64/55/821936455.db2.gz MGGSWZQTNQYPOW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2F)cc1 ZINC000181750099 821976107 /nfs/dbraw/zinc/97/61/07/821976107.db2.gz HROCDSMAXZEBSF-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000182351389 822211217 /nfs/dbraw/zinc/21/12/17/822211217.db2.gz KFYNORUNMYCCSC-AWEZNQCLSA-N -1 1 398.484 4.306 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000178184480 822345331 /nfs/dbraw/zinc/34/53/31/822345331.db2.gz MWVNZBNZNLBXHL-UHFFFAOYSA-N -1 1 376.375 4.020 20 0 GIADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045059933 822360609 /nfs/dbraw/zinc/36/06/09/822360609.db2.gz GNAHVZRPJXKRRB-HOTGVXAUSA-N -1 1 383.410 4.182 20 0 GIADMM O=C(Nc1ccc(O)c(Cl)c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000182867735 822382408 /nfs/dbraw/zinc/38/24/08/822382408.db2.gz USSQGDYHTVZPGW-UHFFFAOYSA-N -1 1 379.750 4.289 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000182867735 822382411 /nfs/dbraw/zinc/38/24/11/822382411.db2.gz USSQGDYHTVZPGW-UHFFFAOYSA-N -1 1 379.750 4.289 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2nc(C(C)C)ncc2Cl)c1 ZINC000182903682 822389755 /nfs/dbraw/zinc/38/97/55/822389755.db2.gz JOJUJJBJBFNFSO-UHFFFAOYSA-N -1 1 384.661 4.282 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)c1 ZINC000182905838 822390067 /nfs/dbraw/zinc/39/00/67/822390067.db2.gz FEHCCEKABUOIBO-UHFFFAOYSA-N -1 1 396.241 4.020 20 0 GIADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccnc2SC(F)F)c1 ZINC000182916837 822392050 /nfs/dbraw/zinc/39/20/50/822392050.db2.gz DCFJTMXGKMKUCK-UHFFFAOYSA-N -1 1 389.221 4.425 20 0 GIADMM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000045774168 822412123 /nfs/dbraw/zinc/41/21/23/822412123.db2.gz LXGBRJOCHPMKFI-UHFFFAOYSA-N -1 1 381.457 4.440 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1 ZINC000046015562 822435107 /nfs/dbraw/zinc/43/51/07/822435107.db2.gz GZMNFPXFPWOGCX-UHFFFAOYSA-N -1 1 382.279 4.069 20 0 GIADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(Br)c([O-])c1 ZINC000179145498 822443325 /nfs/dbraw/zinc/44/33/25/822443325.db2.gz FCZHJSCZGVXLCZ-UHFFFAOYSA-N -1 1 399.244 4.272 20 0 GIADMM CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000046588278 822488993 /nfs/dbraw/zinc/48/89/93/822488993.db2.gz MFAIGDSRRHCBBD-UHFFFAOYSA-N -1 1 396.468 4.138 20 0 GIADMM O=C(CCc1ccsc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588509 822489002 /nfs/dbraw/zinc/48/90/02/822489002.db2.gz FIGPLVGKDUKGPG-UHFFFAOYSA-N -1 1 386.498 4.120 20 0 GIADMM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000046591964 822489263 /nfs/dbraw/zinc/48/92/63/822489263.db2.gz DIZXPGIYNPDNIF-UHFFFAOYSA-N -1 1 396.468 4.057 20 0 GIADMM Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592017 822489420 /nfs/dbraw/zinc/48/94/20/822489420.db2.gz NDKBYBMCGDYLLX-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM Cc1ccc(NC(=O)Cc2cccs2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611995 822492146 /nfs/dbraw/zinc/49/21/46/822492146.db2.gz XMWTUCAPOGOZTJ-UHFFFAOYSA-N -1 1 386.498 4.039 20 0 GIADMM CC(C)CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C(C)C ZINC000179502575 822492320 /nfs/dbraw/zinc/49/23/20/822492320.db2.gz UCAJSPUNUYYCEN-UHFFFAOYSA-N -1 1 390.430 4.429 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3O)cc2)cc1 ZINC000179552174 822502157 /nfs/dbraw/zinc/50/21/57/822502157.db2.gz GEMXBTHZLRKAPM-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000179610928 822512503 /nfs/dbraw/zinc/51/25/03/822512503.db2.gz ZBNATWWUMRSVDF-VXGBXAGGSA-N -1 1 388.386 4.154 20 0 GIADMM Cc1scc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000179673889 822524549 /nfs/dbraw/zinc/52/45/49/822524549.db2.gz WMWWYWQDPOMGET-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000183800834 822529700 /nfs/dbraw/zinc/52/97/00/822529700.db2.gz GBIGMTIHXIDLPP-INIZCTEOSA-N -1 1 385.769 4.278 20 0 GIADMM Cc1scc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000179749518 822542280 /nfs/dbraw/zinc/54/22/80/822542280.db2.gz KEMMXXFOSQPTNF-UHFFFAOYSA-N -1 1 386.498 4.418 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc(Cl)c1[O-] ZINC000184026084 822566825 /nfs/dbraw/zinc/56/68/25/822566825.db2.gz YPPJXTSFJGXQFQ-LLVKDONJSA-N -1 1 381.806 4.352 20 0 GIADMM CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000048143260 822638613 /nfs/dbraw/zinc/63/86/13/822638613.db2.gz ZRKNYYDVTGYHLI-UHFFFAOYSA-N -1 1 382.460 4.226 20 0 GIADMM COc1ccccc1COC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000180290277 822656852 /nfs/dbraw/zinc/65/68/52/822656852.db2.gz JTBCEZSXVBPTNR-UHFFFAOYSA-N -1 1 391.467 4.375 20 0 GIADMM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(CCCl)cc1 ZINC000048401525 822659689 /nfs/dbraw/zinc/65/96/89/822659689.db2.gz MHWVFRMHIYDPPE-UHFFFAOYSA-N -1 1 379.787 4.009 20 0 GIADMM Cc1nc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c(-c2ccccc2)o1 ZINC000184776460 822689370 /nfs/dbraw/zinc/68/93/70/822689370.db2.gz ZYMOAUPYKXHGGX-UHFFFAOYSA-N -1 1 394.431 4.484 20 0 GIADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc21 ZINC000049659740 822705036 /nfs/dbraw/zinc/70/50/36/822705036.db2.gz MRAQZURJIWJZPJ-UHFFFAOYSA-N -1 1 385.272 4.024 20 0 GIADMM Cc1ccc(NC(=O)N(C)CC(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455763247 822721966 /nfs/dbraw/zinc/72/19/66/822721966.db2.gz CGVRUKCFUZOYTR-UHFFFAOYSA-N -1 1 389.521 4.306 20 0 GIADMM CC[C@H]1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000455779732 822725246 /nfs/dbraw/zinc/72/52/46/822725246.db2.gz WGSUTCWMSWZCKH-INIZCTEOSA-N -1 1 387.505 4.060 20 0 GIADMM Cc1ccc(NC(=O)N2C[C@H](C)C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455780674 822725425 /nfs/dbraw/zinc/72/54/25/822725425.db2.gz XDIASSSWDARKNO-GDBMZVCRSA-N -1 1 387.505 4.058 20 0 GIADMM CCC1(NC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CC1 ZINC000455801571 822728931 /nfs/dbraw/zinc/72/89/31/822728931.db2.gz UVVIZPDONRWXBD-UHFFFAOYSA-N -1 1 387.505 4.168 20 0 GIADMM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c(C)c1 ZINC000185053859 822729824 /nfs/dbraw/zinc/72/98/24/822729824.db2.gz MROAPLBGMUOZHZ-MRXNPFEDSA-N -1 1 393.512 4.481 20 0 GIADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000174340132 822774635 /nfs/dbraw/zinc/77/46/35/822774635.db2.gz ZDJLVZKWKSRWCA-RHSMWYFYSA-N -1 1 388.537 4.043 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC4(CC4)C3)c2)c1 ZINC000185377503 822774922 /nfs/dbraw/zinc/77/49/22/822774922.db2.gz RDNNXTCFFYVAEI-UHFFFAOYSA-N -1 1 398.528 4.120 20 0 GIADMM CCS[C@@H]1CC[C@H](N(C)C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)C1 ZINC000174410948 822786500 /nfs/dbraw/zinc/78/65/00/822786500.db2.gz ZCEJGRFDEJWLQT-JKSUJKDBSA-N -1 1 390.578 4.049 20 0 GIADMM CCSCc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000456478133 822809637 /nfs/dbraw/zinc/80/96/37/822809637.db2.gz VUWIWVDIQVEXEC-UHFFFAOYSA-N -1 1 377.535 4.037 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000052798267 822810950 /nfs/dbraw/zinc/81/09/50/822810950.db2.gz UHAOXHITJITIBQ-UHFFFAOYSA-N -1 1 399.806 4.132 20 0 GIADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)o1 ZINC000174767125 822834458 /nfs/dbraw/zinc/83/44/58/822834458.db2.gz UCCPVQPCWKCELQ-UHFFFAOYSA-N -1 1 398.271 4.407 20 0 GIADMM COc1ccc(-c2nsc([N-]C(=O)c3oc(-c4ccccc4)nc3C)n2)cc1 ZINC000174772438 822835079 /nfs/dbraw/zinc/83/50/79/822835079.db2.gz RGMLQLURMNTRDB-UHFFFAOYSA-N -1 1 392.440 4.429 20 0 GIADMM COCc1cccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)c1 ZINC000185978289 822840199 /nfs/dbraw/zinc/84/01/99/822840199.db2.gz RCVQTQZQVOBXKB-UHFFFAOYSA-N -1 1 384.295 4.013 20 0 GIADMM Cc1c2cccc(C)c2oc1C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000053797905 822848484 /nfs/dbraw/zinc/84/84/84/822848484.db2.gz NTLUOYDTBQJPBB-UHFFFAOYSA-N -1 1 399.501 4.140 20 0 GIADMM C=CCn1c(Cc2csc(NC(=O)c3sccc3CC)n2)n[n-]c1=S ZINC000053797571 822848529 /nfs/dbraw/zinc/84/85/29/822848529.db2.gz CPDLEYDCBRTYIV-UHFFFAOYSA-N -1 1 391.547 4.050 20 0 GIADMM COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1F ZINC000053819595 822849280 /nfs/dbraw/zinc/84/92/80/822849280.db2.gz BMDMYYPOYZBOJL-UHFFFAOYSA-N -1 1 386.452 4.093 20 0 GIADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000174907962 822854080 /nfs/dbraw/zinc/85/40/80/822854080.db2.gz IRZWESHBBYEXEV-OLZOCXBDSA-N -1 1 378.567 4.390 20 0 GIADMM CCC1CN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC000457267303 822862669 /nfs/dbraw/zinc/86/26/69/822862669.db2.gz BVJDGAQWDQCIHK-UHFFFAOYSA-N -1 1 393.270 4.433 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000174976197 822863380 /nfs/dbraw/zinc/86/33/80/822863380.db2.gz NEGMUNXWMKPDCZ-INIZCTEOSA-N -1 1 388.537 4.091 20 0 GIADMM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000174980496 822863760 /nfs/dbraw/zinc/86/37/60/822863760.db2.gz YTIXCAXOEILGOY-UHFFFAOYSA-N -1 1 380.441 4.115 20 0 GIADMM O=C([O-])CC1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000568992632 822868161 /nfs/dbraw/zinc/86/81/61/822868161.db2.gz SUAXXANSWHETIH-FQEVSTJZSA-N -1 1 377.444 4.013 20 0 GIADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000569081812 822878057 /nfs/dbraw/zinc/87/80/57/822878057.db2.gz MWROXJQZMIFWOK-ZFWWWQNUSA-N -1 1 391.924 4.322 20 0 GIADMM Cc1nc(-c2ccc(N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)nc2)[n-]c(=O)c1C ZINC000569134551 822882652 /nfs/dbraw/zinc/88/26/52/822882652.db2.gz FGZGJTHUDJLEJL-RZDIXWSQSA-N -1 1 382.414 4.497 20 0 GIADMM CSc1nc(C)c(CCC(=O)Oc2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000054568066 822895833 /nfs/dbraw/zinc/89/58/33/822895833.db2.gz OQSJNOFVWXKFEE-UHFFFAOYSA-N -1 1 396.468 4.131 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccnc3C)cc2)cc1C ZINC000175191359 822901023 /nfs/dbraw/zinc/90/10/23/822901023.db2.gz CEFBFUWLEQMEPC-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1cc2cc(C(=O)Nc3nc(Cc4n[n-]c(=S)n4C)cs3)oc2cc1C ZINC000175244620 822912845 /nfs/dbraw/zinc/91/28/45/822912845.db2.gz CXEWBYTYKYIDRN-UHFFFAOYSA-N -1 1 399.501 4.140 20 0 GIADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000569391279 822915616 /nfs/dbraw/zinc/91/56/16/822915616.db2.gz HOJNXQIDXMKKDS-UHFFFAOYSA-N -1 1 385.414 4.054 20 0 GIADMM Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000569430547 822921822 /nfs/dbraw/zinc/92/18/22/822921822.db2.gz KMYOASFOUAMETO-IAGOWNOFSA-N -1 1 399.516 4.060 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc(Cl)c1[O-] ZINC000186605045 822922290 /nfs/dbraw/zinc/92/22/90/822922290.db2.gz AXQVTMCTNMBNHC-UHFFFAOYSA-N -1 1 397.258 4.052 20 0 GIADMM CSc1ccc(OCC[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000569463280 822926156 /nfs/dbraw/zinc/92/61/56/822926156.db2.gz MRZCZPCGBHMBFW-UHFFFAOYSA-N -1 1 381.444 4.042 20 0 GIADMM CO[C@H](c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)c1cccc(Cl)c1 ZINC000569505523 822930973 /nfs/dbraw/zinc/93/09/73/822930973.db2.gz SKLFBXFMKZBGFO-SFHVURJKSA-N -1 1 394.818 4.080 20 0 GIADMM CCOc1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc(Cl)c1[O-] ZINC000186680411 822935987 /nfs/dbraw/zinc/93/59/87/822935987.db2.gz KGXSDPUWOYTUJZ-UHFFFAOYSA-N -1 1 385.851 4.250 20 0 GIADMM CCOc1cc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000186697797 822939808 /nfs/dbraw/zinc/93/98/08/822939808.db2.gz CXJKCJAYIAZECC-QRWLVFNGSA-N -1 1 389.879 4.342 20 0 GIADMM CCOc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2OC)cc(Cl)c1[O-] ZINC000186717728 822943955 /nfs/dbraw/zinc/94/39/55/822943955.db2.gz KZSQLPWTBTWQGV-INIZCTEOSA-N -1 1 389.879 4.300 20 0 GIADMM CCOc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000186764964 822951490 /nfs/dbraw/zinc/95/14/90/822951490.db2.gz RFCRMAKVVFNMIU-AEFFLSMTSA-N -1 1 375.852 4.094 20 0 GIADMM CCOc1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)cc(Cl)c1[O-] ZINC000186782237 822954764 /nfs/dbraw/zinc/95/47/64/822954764.db2.gz SDHKISOCWSHEJL-INIZCTEOSA-N -1 1 388.876 4.420 20 0 GIADMM CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000186833691 822963924 /nfs/dbraw/zinc/96/39/24/822963924.db2.gz XOQSNJYJWBGWER-KPZWWZAWSA-N -1 1 393.842 4.186 20 0 GIADMM C[C@H]1CCC[C@H](CNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000055480594 822968595 /nfs/dbraw/zinc/96/85/95/822968595.db2.gz LIOYTDJYLOTNAD-STQMWFEESA-N -1 1 378.929 4.204 20 0 GIADMM CCOc1cc(C(=O)NNc2ccc(Br)c(C)c2)cc(Cl)c1[O-] ZINC000186903973 822977287 /nfs/dbraw/zinc/97/72/87/822977287.db2.gz YJFPLGSUWBRUMV-UHFFFAOYSA-N -1 1 399.672 4.272 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000055595555 822985195 /nfs/dbraw/zinc/98/51/95/822985195.db2.gz JANIASBXTLIRND-UHFFFAOYSA-N -1 1 380.469 4.298 20 0 GIADMM CSc1nsc([N-]C(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n1 ZINC000175528029 822991159 /nfs/dbraw/zinc/99/11/59/822991159.db2.gz PFOUBURKURXMLT-NSHDSACASA-N -1 1 386.502 4.057 20 0 GIADMM CSc1nsc([N-]C(=O)c2occc2CN2c3ccccc3C[C@H]2C)n1 ZINC000175528010 822991183 /nfs/dbraw/zinc/99/11/83/822991183.db2.gz PFOUBURKURXMLT-LLVKDONJSA-N -1 1 386.502 4.057 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1Cl ZINC000055650783 822993284 /nfs/dbraw/zinc/99/32/84/822993284.db2.gz LFBIHGMTHAGWNP-UHFFFAOYSA-N -1 1 392.908 4.075 20 0 GIADMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000055674378 822996886 /nfs/dbraw/zinc/99/68/86/822996886.db2.gz HVOVSPIEYCFSRA-UHFFFAOYSA-N -1 1 387.288 4.369 20 0 GIADMM C[C@@H](NC(=O)Cn1c(-c2cccs2)n[n-]c1=S)c1c(F)cccc1Cl ZINC000175698350 823022872 /nfs/dbraw/zinc/02/28/72/823022872.db2.gz PNIOGDMAFWQAKR-SECBINFHSA-N -1 1 396.900 4.339 20 0 GIADMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1C ZINC000570464309 823041066 /nfs/dbraw/zinc/04/10/66/823041066.db2.gz PEQRCCCEXYHBJH-JTQLQIEISA-N -1 1 385.411 4.191 20 0 GIADMM O=C(CCSc1ccc(F)cc1)N[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000060793794 823558002 /nfs/dbraw/zinc/55/80/02/823558002.db2.gz FUJYXGRLGOPXEG-UHFFFAOYSA-N -1 1 392.452 4.123 20 0 GIADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cnc([C@@H]2CCCO2)s1 ZINC000124164099 823573649 /nfs/dbraw/zinc/57/36/49/823573649.db2.gz GDLYKRBPHZSYLF-LBPRGKRZSA-N -1 1 378.523 4.221 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000124250641 823580978 /nfs/dbraw/zinc/58/09/78/823580978.db2.gz SCLARWIOLGBZRJ-UHFFFAOYSA-N -1 1 398.919 4.154 20 0 GIADMM Cc1ccc(-c2csc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)n2)c(C)c1 ZINC000124405736 823594051 /nfs/dbraw/zinc/59/40/51/823594051.db2.gz KIKQYKCMTBPRLV-UHFFFAOYSA-N -1 1 396.516 4.368 20 0 GIADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000190671794 823597202 /nfs/dbraw/zinc/59/72/02/823597202.db2.gz RHYBDWPLBSCHBL-LBPRGKRZSA-N -1 1 380.204 4.205 20 0 GIADMM COC(=O)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)c1ccccc1C ZINC000124643072 823613619 /nfs/dbraw/zinc/61/36/19/823613619.db2.gz RWYFJQOEMSRZCE-SFHVURJKSA-N -1 1 380.469 4.060 20 0 GIADMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000461339304 823620639 /nfs/dbraw/zinc/62/06/39/823620639.db2.gz JQAUSLKUYBEILX-UHFFFAOYSA-N -1 1 396.468 4.090 20 0 GIADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)cc1Cl ZINC000461345547 823621412 /nfs/dbraw/zinc/62/14/12/823621412.db2.gz RNICRJHSWRRYRC-UHFFFAOYSA-N -1 1 381.910 4.058 20 0 GIADMM COc1cccc(-c2nsc(NC(=O)Nc3ccc([O-])c(Cl)c3)n2)c1 ZINC000190985999 823634752 /nfs/dbraw/zinc/63/47/52/823634752.db2.gz VLZKMSMQDKRSGE-UHFFFAOYSA-N -1 1 376.825 4.217 20 0 GIADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412284913 823642872 /nfs/dbraw/zinc/64/28/72/823642872.db2.gz DZGFMCFQSZAJBO-UHLUBPPHSA-N -1 1 377.076 4.292 20 0 GIADMM CCOc1cc(C(=O)N2CCN(c3ccccc3)C[C@H]2CC)cc(Cl)c1[O-] ZINC000461515682 823652343 /nfs/dbraw/zinc/65/23/43/823652343.db2.gz JCMXEFZYYQWNNP-MRXNPFEDSA-N -1 1 388.895 4.185 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c2ccccc12 ZINC000063182075 823654936 /nfs/dbraw/zinc/65/49/36/823654936.db2.gz WSPVXCRXJLRXJP-UHFFFAOYSA-N -1 1 393.468 4.429 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccsc3)cc2)ccc1F ZINC000125172554 823656600 /nfs/dbraw/zinc/65/66/00/823656600.db2.gz DELYCTBZXDVFTJ-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1c([O-])ccc(Cl)c1F ZINC000191394248 823680075 /nfs/dbraw/zinc/68/00/75/823680075.db2.gz JWBFBOGBRAPIBX-UHFFFAOYSA-N -1 1 390.764 4.397 20 0 GIADMM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000191405247 823681480 /nfs/dbraw/zinc/68/14/80/823681480.db2.gz NZOCPRZWWHAKSU-UHFFFAOYSA-N -1 1 379.898 4.260 20 0 GIADMM CC(C)CCN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000063782089 823695610 /nfs/dbraw/zinc/69/56/10/823695610.db2.gz JZZBOFVVTOBWGX-UHFFFAOYSA-N -1 1 376.403 4.041 20 0 GIADMM NC(=O)c1cccc(Oc2ccc(NCc3c([O-])ccc(Cl)c3F)cn2)c1 ZINC000191533616 823696739 /nfs/dbraw/zinc/69/67/39/823696739.db2.gz IYSKABCKNXTKNI-UHFFFAOYSA-N -1 1 387.798 4.083 20 0 GIADMM CCCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000191537779 823697392 /nfs/dbraw/zinc/69/73/92/823697392.db2.gz MJKVZAHEAITPBT-UHFFFAOYSA-N -1 1 387.549 4.447 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000063819392 823699359 /nfs/dbraw/zinc/69/93/59/823699359.db2.gz RXSUZNANUZUREA-UHFFFAOYSA-N -1 1 396.520 4.032 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000063912813 823710025 /nfs/dbraw/zinc/71/00/25/823710025.db2.gz ACXXBTZHAZAPKW-UHFFFAOYSA-N -1 1 381.322 4.183 20 0 GIADMM O=S(=O)(Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc([O-])cc1 ZINC000063927150 823713317 /nfs/dbraw/zinc/71/33/17/823713317.db2.gz IQVAYMSDGUFEDS-UHFFFAOYSA-N -1 1 395.889 4.055 20 0 GIADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)cc2Cl)c1-c1cccs1 ZINC000574432362 823727581 /nfs/dbraw/zinc/72/75/81/823727581.db2.gz QGRANDVYHRLQIP-UHFFFAOYSA-N -1 1 397.909 4.163 20 0 GIADMM COc1cc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)ccc1OC1CCCC1 ZINC000574440255 823730505 /nfs/dbraw/zinc/73/05/05/823730505.db2.gz RGSCHGQZYKJYOP-GFCCVEGCSA-N -1 1 391.414 4.491 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC3CCCC3)c2)c1 ZINC000064088850 823744428 /nfs/dbraw/zinc/74/44/28/823744428.db2.gz OSENIKCLXFLANN-UHFFFAOYSA-N -1 1 386.517 4.058 20 0 GIADMM CCc1nc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)[n-]c(=O)c1C ZINC000574532919 823756862 /nfs/dbraw/zinc/75/68/62/823756862.db2.gz WEZFNXSATSJCAY-GOSISDBHSA-N -1 1 399.541 4.112 20 0 GIADMM Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163942782 823763785 /nfs/dbraw/zinc/76/37/85/823763785.db2.gz VTWALJYJBSKNCZ-CQSZACIVSA-N -1 1 397.475 4.312 20 0 GIADMM O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(Br)c([O-])c1 ZINC000164152373 823782047 /nfs/dbraw/zinc/78/20/47/823782047.db2.gz FQCCYSUATXQWJK-UHFFFAOYSA-N -1 1 383.245 4.147 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCC(C)C)c1 ZINC000064298517 823787418 /nfs/dbraw/zinc/78/74/18/823787418.db2.gz OCFTVVPGAFKYTF-UHFFFAOYSA-N -1 1 390.505 4.125 20 0 GIADMM CCCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1cccc2ccccc21 ZINC000574698177 823803238 /nfs/dbraw/zinc/80/32/38/823803238.db2.gz XSIBNDWXDCXROX-UHFFFAOYSA-N -1 1 388.471 4.191 20 0 GIADMM COc1cccc(C(NC(=O)c2ccc([O-])cc2F)c2cccc(OC)c2)c1 ZINC000164470365 823804281 /nfs/dbraw/zinc/80/42/81/823804281.db2.gz NHZKENGFHBKWDD-UHFFFAOYSA-N -1 1 381.403 4.068 20 0 GIADMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1nc(Br)cs1 ZINC000191923030 823812264 /nfs/dbraw/zinc/81/22/64/823812264.db2.gz APTUOMUCQLJERC-UHFFFAOYSA-N -1 1 395.307 4.066 20 0 GIADMM CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3ccc([O-])c(Br)c3)cc21 ZINC000165005124 823829956 /nfs/dbraw/zinc/82/99/56/823829956.db2.gz AJPXMCMPBJXQBG-XVNBXDOJSA-N -1 1 386.245 4.281 20 0 GIADMM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000462111719 823831295 /nfs/dbraw/zinc/83/12/95/823831295.db2.gz KMKKOYFNZVVHOS-UHFFFAOYSA-N -1 1 385.445 4.036 20 0 GIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000165237548 823840904 /nfs/dbraw/zinc/84/09/04/823840904.db2.gz MLMMCYLFBZAUJV-UHFFFAOYSA-N -1 1 391.456 4.433 20 0 GIADMM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(C(F)(F)F)n3)s2)cc1 ZINC000192212001 823904296 /nfs/dbraw/zinc/90/42/96/823904296.db2.gz ZPIPINJCKNKJGL-UHFFFAOYSA-N -1 1 384.408 4.165 20 0 GIADMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000575210491 823939914 /nfs/dbraw/zinc/93/99/14/823939914.db2.gz FTZFAZVISCJPLX-UHFFFAOYSA-N -1 1 395.456 4.310 20 0 GIADMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)c2)n1 ZINC000126746432 823940899 /nfs/dbraw/zinc/94/08/99/823940899.db2.gz SFGMXGANMNPZQT-UHFFFAOYSA-N -1 1 395.440 4.414 20 0 GIADMM Cc1cc(Cl)c2ccccc2c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000462384097 823952916 /nfs/dbraw/zinc/95/29/16/823952916.db2.gz NDNAXIGMXHWYPX-UHFFFAOYSA-N -1 1 381.862 4.362 20 0 GIADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C2CC2)s1 ZINC000462401091 823960446 /nfs/dbraw/zinc/96/04/46/823960446.db2.gz OPVOFLJLKMPSEC-CYBMUJFWSA-N -1 1 391.345 4.496 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1 ZINC000414383065 823970282 /nfs/dbraw/zinc/97/02/82/823970282.db2.gz QQRQSMJPZZBIAE-UHFFFAOYSA-N -1 1 384.501 4.111 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1SC ZINC000414384182 823970578 /nfs/dbraw/zinc/97/05/78/823970578.db2.gz BQMRXROVHACVCT-UHFFFAOYSA-N -1 1 391.436 4.323 20 0 GIADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C)n1 ZINC000414458501 823989033 /nfs/dbraw/zinc/98/90/33/823989033.db2.gz MQQUPTWQJKWZIW-UHFFFAOYSA-N -1 1 376.812 4.062 20 0 GIADMM O=C(Nc1cc(-c2ccccc2)on1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127027024 824003090 /nfs/dbraw/zinc/00/30/90/824003090.db2.gz IGMNGVUKSNGEPG-UHFFFAOYSA-N -1 1 391.427 4.174 20 0 GIADMM CCSCc1ccnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000127150100 824027227 /nfs/dbraw/zinc/02/72/27/824027227.db2.gz IDPBFCAWPMFDBT-UHFFFAOYSA-N -1 1 390.452 4.295 20 0 GIADMM O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000192570599 824034812 /nfs/dbraw/zinc/03/48/12/824034812.db2.gz APZZQRVDWAPGKF-UHFFFAOYSA-N -1 1 397.434 4.123 20 0 GIADMM CCOc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000192586419 824038323 /nfs/dbraw/zinc/03/83/23/824038323.db2.gz GPEIFGJKIHNRLA-UHFFFAOYSA-N -1 1 395.286 4.060 20 0 GIADMM COc1cc(-c2noc(Cc3ccc(C)c(C)c3)n2)cc(Br)c1[O-] ZINC000575980807 824043734 /nfs/dbraw/zinc/04/37/34/824043734.db2.gz QDKOLGJKVIVMEW-UHFFFAOYSA-N -1 1 389.249 4.421 20 0 GIADMM CSc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000019170346 221399162 /nfs/dbraw/zinc/39/91/62/221399162.db2.gz PJQWOMSTPICPBN-UHFFFAOYSA-N -1 1 398.509 4.462 20 0 GIADMM Cc1ccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000056931610 222026343 /nfs/dbraw/zinc/02/63/43/222026343.db2.gz MWVSRKPNGAHWDL-UHFFFAOYSA-N -1 1 398.459 4.116 20 0 GIADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000827934299 601355124 /nfs/dbraw/zinc/35/51/24/601355124.db2.gz DIFDZWLFNWCYEQ-QWHCGFSZSA-N -1 1 399.878 4.311 20 0 GIADMM O=C([O-])NC[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccc2ccccc2c1 ZINC000834208318 605976380 /nfs/dbraw/zinc/97/63/80/605976380.db2.gz TWKPEKPCBLXSTL-OAQYLSRUSA-N -1 1 387.439 4.192 20 0 GIADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)cc1OC ZINC000570522872 823049303 /nfs/dbraw/zinc/04/93/03/823049303.db2.gz LLHFUBHXOCOPNJ-UHFFFAOYSA-N -1 1 387.860 4.421 20 0 GIADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000570720850 823075722 /nfs/dbraw/zinc/07/57/22/823075722.db2.gz RQAYHYXCYLSOOF-UHFFFAOYSA-N -1 1 396.640 4.490 20 0 GIADMM Cc1cc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000175982217 823088149 /nfs/dbraw/zinc/08/81/49/823088149.db2.gz RZNSQZUTDTULKY-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM Cc1cc(C)c(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000175989625 823089897 /nfs/dbraw/zinc/08/98/97/823089897.db2.gz QNCCMEYFMKTJBV-UHFFFAOYSA-N -1 1 384.457 4.258 20 0 GIADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C(F)(F)F ZINC000121261212 823150397 /nfs/dbraw/zinc/15/03/97/823150397.db2.gz ICLAOAKKJFDQTD-UHFFFAOYSA-N -1 1 399.369 4.139 20 0 GIADMM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000571291766 823160944 /nfs/dbraw/zinc/16/09/44/823160944.db2.gz TUPHTRUDEHDLGW-GOSISDBHSA-N -1 1 391.389 4.426 20 0 GIADMM O=c1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccccc2)[n-]1 ZINC000459385983 823179540 /nfs/dbraw/zinc/17/95/40/823179540.db2.gz ZVHZTSKTXKLTLP-UHFFFAOYSA-N -1 1 391.315 4.166 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC(C)(C)CC(C)C)cc1 ZINC000176351382 823189406 /nfs/dbraw/zinc/18/94/06/823189406.db2.gz TZNOXNMBXSNGGH-UHFFFAOYSA-N -1 1 390.553 4.195 20 0 GIADMM Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188277815 823213228 /nfs/dbraw/zinc/21/32/28/823213228.db2.gz FDVYGZMWGAZGNV-UHFFFAOYSA-N -1 1 378.409 4.105 20 0 GIADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176528639 823229720 /nfs/dbraw/zinc/22/97/20/823229720.db2.gz HWSUHBWBYQFKFM-GOEBONIOSA-N -1 1 398.557 4.464 20 0 GIADMM CC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000176532069 823230640 /nfs/dbraw/zinc/23/06/40/823230640.db2.gz ZUDOGEJYUNGDAD-FUHWJXTLSA-N -1 1 381.520 4.032 20 0 GIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000057121323 823251028 /nfs/dbraw/zinc/25/10/28/823251028.db2.gz GIJKHJLWRQHGAY-OAHLLOKOSA-N -1 1 382.485 4.169 20 0 GIADMM O=C(NC1(c2noc(C(F)(F)F)n2)CCCC1)c1ccc2ccccc2c1[O-] ZINC000571952767 823259204 /nfs/dbraw/zinc/25/92/04/823259204.db2.gz ILUPWJXXZRPWID-UHFFFAOYSA-N -1 1 391.349 4.147 20 0 GIADMM CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000003356058 817441841 /nfs/dbraw/zinc/44/18/41/817441841.db2.gz HOECHEHBLAPWPT-UHFFFAOYSA-N -1 1 392.285 4.214 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000176688693 823268272 /nfs/dbraw/zinc/26/82/72/823268272.db2.gz MDCOMAVQDQIAQN-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCc1nc(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)[n-]c(=O)c1C ZINC000572016793 823269754 /nfs/dbraw/zinc/26/97/54/823269754.db2.gz LWIFMBNZIKQOPI-SFHVURJKSA-N -1 1 385.533 4.149 20 0 GIADMM CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000004863487 817538360 /nfs/dbraw/zinc/53/83/60/817538360.db2.gz UUMURXVXVOONQJ-LJQANCHMSA-N -1 1 386.517 4.201 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000005084098 817549893 /nfs/dbraw/zinc/54/98/93/817549893.db2.gz FOYRWVXVOXLPRR-UHFFFAOYSA-N -1 1 397.481 4.066 20 0 GIADMM O=C(CCc1ccccc1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000005171466 817556854 /nfs/dbraw/zinc/55/68/54/817556854.db2.gz QHTJGPJQOOPZJW-UHFFFAOYSA-N -1 1 390.464 4.328 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1(c2ccc(F)cc2)CCCC1 ZINC000006062928 817647180 /nfs/dbraw/zinc/64/71/80/817647180.db2.gz QRDQLLTXHJNLIC-UHFFFAOYSA-N -1 1 382.387 4.193 20 0 GIADMM CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000006401430 817688204 /nfs/dbraw/zinc/68/82/04/817688204.db2.gz RCHWQCGWCFVMEX-UHFFFAOYSA-N -1 1 380.897 4.061 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1Cl ZINC000007419168 817836562 /nfs/dbraw/zinc/83/65/62/817836562.db2.gz OGWQVGQTVQOHNR-UHFFFAOYSA-N -1 1 390.686 4.220 20 0 GIADMM CCc1cc2c(COC(=O)COc3ccccc3C(C)C)cc(=O)oc2cc1[O-] ZINC000007431975 817839630 /nfs/dbraw/zinc/83/96/30/817839630.db2.gz BPMJEPLCRMSGQV-UHFFFAOYSA-N -1 1 396.439 4.307 20 0 GIADMM O=C(CSCc1ccc(Cl)cc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000007483510 817852416 /nfs/dbraw/zinc/85/24/16/817852416.db2.gz AGPIZHHUEFKTJF-UHFFFAOYSA-N -1 1 385.819 4.131 20 0 GIADMM O=c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)c2ccc([O-])cc2o1 ZINC000007909016 817955610 /nfs/dbraw/zinc/95/56/10/817955610.db2.gz LTUIRXWCUJXDPL-KRWDZBQOSA-N -1 1 378.453 4.445 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000008033573 817986703 /nfs/dbraw/zinc/98/67/03/817986703.db2.gz OHJKNJZSBYMCGI-DNVCBOLYSA-N -1 1 386.517 4.104 20 0 GIADMM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)c1 ZINC000008206859 818018429 /nfs/dbraw/zinc/01/84/29/818018429.db2.gz VAEYCFYDMQLHPY-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000008240586 818022046 /nfs/dbraw/zinc/02/20/46/818022046.db2.gz WEWINQMHDZCUKZ-UHFFFAOYSA-N -1 1 394.496 4.068 20 0 GIADMM COc1cc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000460197445 823313367 /nfs/dbraw/zinc/31/33/67/823313367.db2.gz ORYVJKRKQGHNSO-SECBINFHSA-N -1 1 389.757 4.444 20 0 GIADMM O=S(=O)([N-]c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C(F)F)cc1 ZINC000572319524 823319146 /nfs/dbraw/zinc/31/91/46/823319146.db2.gz YDFGYAYUUQLDPZ-UHFFFAOYSA-N -1 1 391.321 4.320 20 0 GIADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000013358749 818210583 /nfs/dbraw/zinc/21/05/83/818210583.db2.gz FVBFGIJQWMDLJK-UHFFFAOYSA-N -1 1 397.408 4.094 20 0 GIADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1Cl ZINC000014097621 818222196 /nfs/dbraw/zinc/22/21/96/818222196.db2.gz RVWCOBARRRSHOW-UHFFFAOYSA-N -1 1 380.897 4.333 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000122233676 823325528 /nfs/dbraw/zinc/32/55/28/823325528.db2.gz YFCPDDBMUZSQRP-UHFFFAOYSA-N -1 1 386.395 4.163 20 0 GIADMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015339430 818314660 /nfs/dbraw/zinc/31/46/60/818314660.db2.gz HOIUVNVVTLDKON-UHFFFAOYSA-N -1 1 380.897 4.061 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1C ZINC000015414850 818323319 /nfs/dbraw/zinc/32/33/19/818323319.db2.gz JSYRXGZFCUOHJV-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)c1 ZINC000015542041 818335773 /nfs/dbraw/zinc/33/57/73/818335773.db2.gz YOIJNXRUHSKMEY-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM Cc1sc2ncn([N-]C(=O)c3cc4c(s3)CCCCCC4)c(=O)c2c1C ZINC000015579162 818341664 /nfs/dbraw/zinc/34/16/64/818341664.db2.gz HMRORRCJOLOVAT-UHFFFAOYSA-N -1 1 387.530 4.179 20 0 GIADMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000015626053 818349587 /nfs/dbraw/zinc/34/95/87/818349587.db2.gz BSKPVTJGULNBPF-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM C[C@@H](c1ccccc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000015626077 818349696 /nfs/dbraw/zinc/34/96/96/818349696.db2.gz AIUZIMVVRVLRCJ-KRWDZBQOSA-N -1 1 394.496 4.321 20 0 GIADMM O=C(C[C@H]1C=CCCC1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000188950557 823332685 /nfs/dbraw/zinc/33/26/85/823332685.db2.gz DFUFTPPTDSPAHJ-AWEZNQCLSA-N -1 1 380.469 4.441 20 0 GIADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000122318942 823337214 /nfs/dbraw/zinc/33/72/14/823337214.db2.gz WSVFUAYYTCDKTE-UHFFFAOYSA-N -1 1 383.477 4.272 20 0 GIADMM Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000188995343 823339083 /nfs/dbraw/zinc/33/90/83/823339083.db2.gz XRCAVJZAFMSUES-QGZVFWFLSA-N -1 1 384.501 4.481 20 0 GIADMM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1cc2ccccc2s1 ZINC000017185349 818503778 /nfs/dbraw/zinc/50/37/78/818503778.db2.gz OTLOZJVOGWFWSJ-UHFFFAOYSA-N -1 1 376.890 4.108 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1C ZINC000017357320 818511825 /nfs/dbraw/zinc/51/18/25/818511825.db2.gz AIJOYYDNZHVULS-UHFFFAOYSA-N -1 1 386.517 4.167 20 0 GIADMM C[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)c1cc2ccccc2o1 ZINC000018203886 818556289 /nfs/dbraw/zinc/55/62/89/818556289.db2.gz NZCCEXNBXPGKAL-LLVKDONJSA-N -1 1 384.486 4.293 20 0 GIADMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(F)ccc3F)n2)cc1 ZINC000177028232 823353312 /nfs/dbraw/zinc/35/33/12/823353312.db2.gz PDKWXRGAJVFWQF-UHFFFAOYSA-N -1 1 379.413 4.228 20 0 GIADMM COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000022082465 818770263 /nfs/dbraw/zinc/77/02/63/818770263.db2.gz SEAZMMWOWAMVQS-UHFFFAOYSA-N -1 1 389.521 4.090 20 0 GIADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000022195090 818781325 /nfs/dbraw/zinc/78/13/25/818781325.db2.gz UNZANDCZSYFJFA-GOSISDBHSA-N -1 1 397.500 4.147 20 0 GIADMM O=C(N[N-]C(=O)c1cc(F)c(F)cc1Cl)c1cc2c(s1)CCCCC2 ZINC000058140034 823364463 /nfs/dbraw/zinc/36/44/63/823364463.db2.gz DTLQUXHSJHUQJH-UHFFFAOYSA-N -1 1 384.835 4.023 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)n1 ZINC000022930415 818877751 /nfs/dbraw/zinc/87/77/51/818877751.db2.gz XULKFCBWSGECJA-LBPRGKRZSA-N -1 1 399.472 4.203 20 0 GIADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1cccs1 ZINC000024103251 819024500 /nfs/dbraw/zinc/02/45/00/819024500.db2.gz KQRUUEIDCIYWMI-UHFFFAOYSA-N -1 1 394.424 4.079 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1F ZINC000189264917 823383420 /nfs/dbraw/zinc/38/34/20/823383420.db2.gz IWIFCWFDTPILDX-UHFFFAOYSA-N -1 1 377.359 4.130 20 0 GIADMM NC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1F ZINC000572700071 823385697 /nfs/dbraw/zinc/38/56/97/823385697.db2.gz AJFHKUKVPGFDPE-UHFFFAOYSA-N -1 1 399.403 4.017 20 0 GIADMM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189318142 823393102 /nfs/dbraw/zinc/39/31/02/823393102.db2.gz CUVGIGYVGPYVCW-UHFFFAOYSA-N -1 1 382.363 4.247 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1F ZINC000189341272 823397297 /nfs/dbraw/zinc/39/72/97/823397297.db2.gz FXGHCLCYOFSJMV-UHFFFAOYSA-N -1 1 377.359 4.048 20 0 GIADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1=Cc2ccccc2OC1 ZINC000572906783 823417555 /nfs/dbraw/zinc/41/75/55/823417555.db2.gz JOXMTEKAPGAQGF-UHFFFAOYSA-N -1 1 380.625 4.223 20 0 GIADMM CCC[C@H]1C[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)CCO1 ZINC000572906926 823417749 /nfs/dbraw/zinc/41/77/49/823417749.db2.gz VDMPOBUKLLQZMT-ONGXEEELSA-N -1 1 376.678 4.342 20 0 GIADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000122847828 823422699 /nfs/dbraw/zinc/42/26/99/823422699.db2.gz YKARMOWQCRQWIY-DEOSSOPVSA-N -1 1 393.917 4.173 20 0 GIADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc3ccccc3c2[O-])o1 ZINC000122884454 823428767 /nfs/dbraw/zinc/42/87/67/823428767.db2.gz UZZQLBGBYIXUHM-HXUWFJFHSA-N -1 1 385.423 4.177 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3O)ccc2C)cc1 ZINC000024760407 819874352 /nfs/dbraw/zinc/87/43/52/819874352.db2.gz KIYSJDBADSAEIH-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000122955323 823439256 /nfs/dbraw/zinc/43/92/56/823439256.db2.gz IBFUENBYZMDFLT-HSZRJFAPSA-N -1 1 379.890 4.031 20 0 GIADMM COc1ccc(Br)c(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000573047289 823439687 /nfs/dbraw/zinc/43/96/87/823439687.db2.gz DNHGTKZIJMXNKH-UHFFFAOYSA-N -1 1 377.210 4.183 20 0 GIADMM CC(C)c1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000025323482 819962416 /nfs/dbraw/zinc/96/24/16/819962416.db2.gz XXWYNTWHZMXKBH-UHFFFAOYSA-N -1 1 390.472 4.162 20 0 GIADMM CCCN(CCC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000025377768 819973132 /nfs/dbraw/zinc/97/31/32/819973132.db2.gz BLSYVXJMPATMMB-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC[C@H]3C)c2)c1 ZINC000025441175 819980777 /nfs/dbraw/zinc/98/07/77/819980777.db2.gz KDZJPKRDXYHTEI-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM C[C@@H]1CC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573090222 823445886 /nfs/dbraw/zinc/44/58/86/823445886.db2.gz XMRROVYOOSIWFJ-JJXUHFIVSA-N -1 1 376.456 4.135 20 0 GIADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123048499 823453121 /nfs/dbraw/zinc/45/31/21/823453121.db2.gz CSZYCLQRGCTEJF-UHFFFAOYSA-N -1 1 398.406 4.044 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc(C)c2)cc1 ZINC000026021655 820049855 /nfs/dbraw/zinc/04/98/55/820049855.db2.gz ANYQNAIEDDRGNR-UHFFFAOYSA-N -1 1 396.516 4.021 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)C(C)C)ccc2C)c1 ZINC000027232054 820213320 /nfs/dbraw/zinc/21/33/20/820213320.db2.gz OADIQWGGOBHKDA-QGZVFWFLSA-N -1 1 388.533 4.221 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ncccc3C)cc2)cc1C ZINC000027652379 820271456 /nfs/dbraw/zinc/27/14/56/820271456.db2.gz WJOYKZRGUKBUGF-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM CCCCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000028494486 820340339 /nfs/dbraw/zinc/34/03/39/820340339.db2.gz BFGKJONYFZCRFY-UHFFFAOYSA-N -1 1 396.459 4.028 20 0 GIADMM CCCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000028928733 820374649 /nfs/dbraw/zinc/37/46/49/820374649.db2.gz UNFIQTASOAKLQT-UHFFFAOYSA-N -1 1 388.533 4.366 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029448107 820457073 /nfs/dbraw/zinc/45/70/73/820457073.db2.gz CNDDUPWHHXPLKU-ZDUSSCGKSA-N -1 1 396.459 4.026 20 0 GIADMM CCC[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000029448032 820457242 /nfs/dbraw/zinc/45/72/42/820457242.db2.gz OIMUQUJXVZLAAP-CYBMUJFWSA-N -1 1 396.459 4.026 20 0 GIADMM O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000573330216 823480801 /nfs/dbraw/zinc/48/08/01/823480801.db2.gz KNGMAFMIWHWBAP-MRVPVSSYSA-N -1 1 398.271 4.317 20 0 GIADMM Cc1ccoc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 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/nfs/dbraw/zinc/94/10/01/822941001.db2.gz RYUMWGWHAKPOLL-SFHVURJKSA-N -1 1 393.405 4.367 20 0 GIADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000569611512 822944705 /nfs/dbraw/zinc/94/47/05/822944705.db2.gz GXDZUXGGKNNPBC-LJQANCHMSA-N -1 1 377.843 4.396 20 0 GIADMM CCOc1cc(C(=O)N2CCC(c3cccc(OC)c3)CC2)cc(Cl)c1[O-] ZINC000186722872 822944763 /nfs/dbraw/zinc/94/47/63/822944763.db2.gz XEGIKNGHJHVVHZ-UHFFFAOYSA-N -1 1 389.879 4.473 20 0 GIADMM Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315197 822951189 /nfs/dbraw/zinc/95/11/89/822951189.db2.gz PZFDTSYCGQGJQD-UHFFFAOYSA-N -1 1 390.439 4.091 20 0 GIADMM CCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(Cl)c1[O-] ZINC000186794136 822956518 /nfs/dbraw/zinc/95/65/18/822956518.db2.gz RIUBQTAUEWEHQC-UHFFFAOYSA-N -1 1 375.837 4.215 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H](C)[C@H]2C)cc1 ZINC000175399103 822959162 /nfs/dbraw/zinc/95/91/62/822959162.db2.gz FBJYINFZRLESMO-LSDHHAIUSA-N -1 1 388.537 4.043 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc(Cl)c1[O-] ZINC000186845418 822966452 /nfs/dbraw/zinc/96/64/52/822966452.db2.gz QEAFLALDANYRBP-UHFFFAOYSA-N -1 1 394.802 4.192 20 0 GIADMM CCOc1cc(C(=O)N(C)Cc2nc3c(s2)CCCC3)cc(Cl)c1[O-] ZINC000186848013 822966922 /nfs/dbraw/zinc/96/69/22/822966922.db2.gz NZWWMEPLJFAZOW-UHFFFAOYSA-N -1 1 380.897 4.052 20 0 GIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000055592067 822983532 /nfs/dbraw/zinc/98/35/32/822983532.db2.gz GIFPVDNQEHVXRY-UHFFFAOYSA-N -1 1 380.897 4.352 20 0 GIADMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(C)s1 ZINC000055633095 822990249 /nfs/dbraw/zinc/99/02/49/822990249.db2.gz XHAIEELRGVGMQR-UHFFFAOYSA-N -1 1 377.487 4.476 20 0 GIADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000055637409 822990658 /nfs/dbraw/zinc/99/06/58/822990658.db2.gz CGEMVCNBOUHSLS-UHFFFAOYSA-N -1 1 382.441 4.333 20 0 GIADMM CCOc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc(Cl)c1[O-] ZINC000186985402 822992513 /nfs/dbraw/zinc/99/25/13/822992513.db2.gz RQEIXCZCAFGYKT-UHFFFAOYSA-N -1 1 389.757 4.480 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c(C)c1 ZINC000055651461 822993494 /nfs/dbraw/zinc/99/34/94/822993494.db2.gz YWPWQUQKRYPKIM-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)cc1F ZINC000055663193 822995718 /nfs/dbraw/zinc/99/57/18/822995718.db2.gz ARPJBZGSCNNDJV-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000187054677 823004313 /nfs/dbraw/zinc/00/43/13/823004313.db2.gz NUEHHKAGYVDEJB-UHFFFAOYSA-N -1 1 394.649 4.051 20 0 GIADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1F ZINC000187069045 823006458 /nfs/dbraw/zinc/00/64/58/823006458.db2.gz FSKRSNWKWOAYQS-UHFFFAOYSA-N -1 1 375.421 4.105 20 0 GIADMM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)CCC2)n1 ZINC000570150178 823010477 /nfs/dbraw/zinc/01/04/77/823010477.db2.gz NLXMYXCVKSIBHT-UHFFFAOYSA-N -1 1 395.308 4.255 20 0 GIADMM C[C@@H]1CCCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000187102628 823010839 /nfs/dbraw/zinc/01/08/39/823010839.db2.gz IYTKTZJVPBDPFQ-CYBMUJFWSA-N -1 1 388.414 4.185 20 0 GIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCCC3)cc1 ZINC000187244268 823029602 /nfs/dbraw/zinc/02/96/02/823029602.db2.gz SGMKCHXJCZDKGD-GOSISDBHSA-N -1 1 379.460 4.247 20 0 GIADMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccc([O-])cc1F ZINC000187311416 823041389 /nfs/dbraw/zinc/04/13/89/823041389.db2.gz ATYQZJIHTUUKRI-CQSZACIVSA-N -1 1 379.815 4.385 20 0 GIADMM C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000124597322 823609730 /nfs/dbraw/zinc/60/97/30/823609730.db2.gz CJGSRFMDZIDPPA-CQSZACIVSA-N -1 1 387.426 4.286 20 0 GIADMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(CC(C)C)nc2C)cc1 ZINC000190839184 823614827 /nfs/dbraw/zinc/61/48/27/823614827.db2.gz XYARYUBWHGXAGE-GOSISDBHSA-N -1 1 381.476 4.485 20 0 GIADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)ccc2o1 ZINC000124905063 823635655 /nfs/dbraw/zinc/63/56/55/823635655.db2.gz SBOJQLPHAGDPRD-UHFFFAOYSA-N -1 1 388.779 4.192 20 0 GIADMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000461433392 823636298 /nfs/dbraw/zinc/63/62/98/823636298.db2.gz WKVQHLTVXDSQQJ-UHFFFAOYSA-N -1 1 398.532 4.374 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccc(F)cc1F ZINC000062482056 823637881 /nfs/dbraw/zinc/63/78/81/823637881.db2.gz LKHOCCUAZWKBMR-LBPRGKRZSA-N -1 1 383.416 4.035 20 0 GIADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000124975990 823642006 /nfs/dbraw/zinc/64/20/06/823642006.db2.gz JWTBQPWIEGZZQZ-UHFFFAOYSA-N -1 1 384.860 4.303 20 0 GIADMM O=C(CC1CC(F)(F)C1)Nc1cc([O-])c(Br)cc1Br ZINC000412285516 823642853 /nfs/dbraw/zinc/64/28/53/823642853.db2.gz FLLOYCKXFQSARR-UHFFFAOYSA-N -1 1 399.029 4.291 20 0 GIADMM CCC(C)(C)OCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412288892 823643116 /nfs/dbraw/zinc/64/31/16/823643116.db2.gz KDLSTJYAXAJISW-UHFFFAOYSA-N -1 1 395.091 4.061 20 0 GIADMM CCCC1(C(=O)Nc2cc([O-])c(Br)cc2Br)CC1 ZINC000412292298 823643550 /nfs/dbraw/zinc/64/35/50/823643550.db2.gz PMIBDYATCYLNSJ-UHFFFAOYSA-N -1 1 377.076 4.436 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CCC[C@H]43)c2)c1 ZINC000461481518 823645627 /nfs/dbraw/zinc/64/56/27/823645627.db2.gz ARQBZHPQXWBONG-DYESRHJHSA-N -1 1 398.528 4.201 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000461489070 823647178 /nfs/dbraw/zinc/64/71/78/823647178.db2.gz NCFSTNPLZNARRV-UWJYYQICSA-N -1 1 398.528 4.201 20 0 GIADMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000063181220 823654664 /nfs/dbraw/zinc/65/46/64/823654664.db2.gz VJIFWJSQGRZZQA-UHFFFAOYSA-N -1 1 380.897 4.496 20 0 GIADMM CCOc1cc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)cc(Cl)c1[O-] ZINC000191168929 823655617 /nfs/dbraw/zinc/65/56/17/823655617.db2.gz FRYPAWGGHSTZEV-UHFFFAOYSA-N -1 1 390.823 4.102 20 0 GIADMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000063341916 823664645 /nfs/dbraw/zinc/66/46/45/823664645.db2.gz JHBSKFGYZSWZBD-OAHLLOKOSA-N -1 1 388.537 4.045 20 0 GIADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000063443974 823671743 /nfs/dbraw/zinc/67/17/43/823671743.db2.gz QCUCYWINYSRFHQ-UHFFFAOYSA-N -1 1 393.679 4.406 20 0 GIADMM CC(C)(NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nn[n-]n1 ZINC000461634486 823673276 /nfs/dbraw/zinc/67/32/76/823673276.db2.gz MHUMJLCLRMBQAX-UHFFFAOYSA-N -1 1 390.683 4.040 20 0 GIADMM Cc1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1Br ZINC000191360375 823676434 /nfs/dbraw/zinc/67/64/34/823676434.db2.gz CGKZCUOGGBBVMW-UHFFFAOYSA-N -1 1 377.166 4.258 20 0 GIADMM O=C(NCc1ccccn1)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191390334 823679631 /nfs/dbraw/zinc/67/96/31/823679631.db2.gz METZXJPPPMDFQP-UHFFFAOYSA-N -1 1 385.826 4.122 20 0 GIADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000412785069 823682305 /nfs/dbraw/zinc/68/23/05/823682305.db2.gz RPQBJHXTJAQXCG-LBPRGKRZSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cccc1C(=O)N1CCCC1 ZINC000125598875 823688680 /nfs/dbraw/zinc/68/86/80/823688680.db2.gz VDFLDDNPSBCTEP-UHFFFAOYSA-N -1 1 394.496 4.185 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1OCC ZINC000063849480 823701851 /nfs/dbraw/zinc/70/18/51/823701851.db2.gz BEJQDBTXUJPQKU-UHFFFAOYSA-N -1 1 393.505 4.210 20 0 GIADMM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911859 823710080 /nfs/dbraw/zinc/71/00/80/823710080.db2.gz RVYAGEDMOKEXBN-UHFFFAOYSA-N -1 1 385.342 4.035 20 0 GIADMM O=C([N-]CCCSc1nnc(-c2ccc3ccccc3c2)o1)C(F)(F)F ZINC000125867566 823732834 /nfs/dbraw/zinc/73/28/34/823732834.db2.gz QNDZSKNDTHPYRC-UHFFFAOYSA-N -1 1 381.379 4.051 20 0 GIADMM CCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000064054393 823741548 /nfs/dbraw/zinc/74/15/48/823741548.db2.gz LCFQDNSODOOZPC-UHFFFAOYSA-N -1 1 381.259 4.433 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nc1-c1ccccc1 ZINC000163925231 823761455 /nfs/dbraw/zinc/76/14/55/823761455.db2.gz OEKDFUKHRCAZNA-KXBFYZLASA-N -1 1 399.560 4.121 20 0 GIADMM Cc1c(=O)[n-]c(S[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nc1-c1ccccc1 ZINC000163925462 823761572 /nfs/dbraw/zinc/76/15/72/823761572.db2.gz OEKDFUKHRCAZNA-BEFAXECRSA-N -1 1 399.560 4.121 20 0 GIADMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000064374046 823803229 /nfs/dbraw/zinc/80/32/29/823803229.db2.gz RACHCWWJFUCNDH-UHFFFAOYSA-N -1 1 391.489 4.074 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1 ZINC000064475734 823825898 /nfs/dbraw/zinc/82/58/98/823825898.db2.gz XCWFYJHNZDIOCC-UHFFFAOYSA-N -1 1 387.461 4.101 20 0 GIADMM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000462114115 823832295 /nfs/dbraw/zinc/83/22/95/823832295.db2.gz ZEDYKKRHMPXHRE-UHFFFAOYSA-N -1 1 383.429 4.105 20 0 GIADMM Cc1cc(Cl)c2ccccc2c1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000462202349 823868509 /nfs/dbraw/zinc/86/85/09/823868509.db2.gz VPQXFTGGKTTXGP-UHFFFAOYSA-N -1 1 394.862 4.348 20 0 GIADMM CCOC(=O)C1=C(NC(=O)c2sc(CC)nc2C)[N-]c2ccccc2N=C1C ZINC000064869005 823904198 /nfs/dbraw/zinc/90/41/98/823904198.db2.gz IXRYGERNIKELBL-UHFFFAOYSA-N -1 1 398.488 4.311 20 0 GIADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000064937918 823915566 /nfs/dbraw/zinc/91/55/66/823915566.db2.gz JROGIHKKAHAXLI-UHFFFAOYSA-N -1 1 377.409 4.246 20 0 GIADMM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1nc(C)cs1 ZINC000462317054 823922693 /nfs/dbraw/zinc/92/26/93/823922693.db2.gz UVZUFZSGWQYIES-LBPRGKRZSA-N -1 1 385.363 4.424 20 0 GIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000462384135 823952892 /nfs/dbraw/zinc/95/28/92/823952892.db2.gz NOBRAJLHOGNFQN-UHFFFAOYSA-N -1 1 386.860 4.097 20 0 GIADMM Cc1ccc(F)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000170738060 823957416 /nfs/dbraw/zinc/95/74/16/823957416.db2.gz UVDPJRHZWISYHW-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCCCCCc1ccccc1 ZINC000170786778 823971953 /nfs/dbraw/zinc/97/19/53/823971953.db2.gz ITONUBIDJBUWRX-UHFFFAOYSA-N -1 1 386.546 4.198 20 0 GIADMM CC[C@H](Cc1ccccc1)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000170810802 823977177 /nfs/dbraw/zinc/97/71/77/823977177.db2.gz JIGJRDHAPBNMDP-LJQANCHMSA-N -1 1 394.544 4.444 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000126941691 823986163 /nfs/dbraw/zinc/98/61/63/823986163.db2.gz NUHFPYRVUIZTMD-OAHLLOKOSA-N -1 1 378.501 4.457 20 0 GIADMM Cc1oc(-c2cccs2)nc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192457860 823998156 /nfs/dbraw/zinc/99/81/56/823998156.db2.gz ZSAUOSCEPDUQTK-UHFFFAOYSA-N -1 1 389.502 4.381 20 0 GIADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000170903297 824003073 /nfs/dbraw/zinc/00/30/73/824003073.db2.gz MZGUTQSLFQMMIR-ZIAGYGMSSA-N -1 1 378.567 4.390 20 0 GIADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccc(Br)cc1 ZINC000575839743 824009109 /nfs/dbraw/zinc/00/91/09/824009109.db2.gz XEQMAIOIFHUFSJ-ZETCQYMHSA-N -1 1 389.221 4.246 20 0 GIADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414689304 824024335 /nfs/dbraw/zinc/02/43/35/824024335.db2.gz ZPJBFHNJJPEGDM-LLVKDONJSA-N -1 1 383.311 4.258 20 0 GIADMM CCOc1cc(C(=O)N[C@H](COC)c2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000192562312 824032390 /nfs/dbraw/zinc/03/23/90/824032390.db2.gz YHRBHSZPYPUAHW-OAHLLOKOSA-N -1 1 384.259 4.215 20 0 GIADMM O=S(=O)([N-][C@H](c1ccccc1)c1ccccn1)c1c(Cl)cccc1Cl ZINC000023743925 221602497 /nfs/dbraw/zinc/60/24/97/221602497.db2.gz KIOMNUJEQDTCHL-QGZVFWFLSA-N -1 1 393.295 4.456 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1F ZINC000071978010 222201574 /nfs/dbraw/zinc/20/15/74/222201574.db2.gz ZXRXMCIYZLWOMD-UHFFFAOYSA-N -1 1 388.258 4.096 20 0 GIADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187460572 823067892 /nfs/dbraw/zinc/06/78/92/823067892.db2.gz QKSJBUHIUOCYIJ-SNVBAGLBSA-N -1 1 382.204 4.063 20 0 GIADMM C/C(=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000056143018 823087611 /nfs/dbraw/zinc/08/76/11/823087611.db2.gz LZQHZMPITYXXBY-BENRWUELSA-N -1 1 392.427 4.060 20 0 GIADMM O=C([N-]NC(=O)C1(Cc2ccccc2Cl)CC1)c1c(Cl)cccc1Cl ZINC000187596676 823094789 /nfs/dbraw/zinc/09/47/89/823094789.db2.gz KFKOHDNBGRQWSI-UHFFFAOYSA-N -1 1 397.689 4.431 20 0 GIADMM Cc1c(=O)[n-]c(SCc2nc(-c3ccccc3F)no2)nc1-c1ccccc1 ZINC000187973298 823165994 /nfs/dbraw/zinc/16/59/94/823165994.db2.gz RHTDUDUBIKIPNH-UHFFFAOYSA-N -1 1 394.431 4.227 20 0 GIADMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000121444926 823185812 /nfs/dbraw/zinc/18/58/12/823185812.db2.gz NRUUDGMLORMKMS-UHFFFAOYSA-N -1 1 399.299 4.451 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000571502040 823192873 /nfs/dbraw/zinc/19/28/73/823192873.db2.gz BLDPODSBPPSALJ-ZTFGCOKTSA-N -1 1 399.560 4.234 20 0 GIADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121521023 823199431 /nfs/dbraw/zinc/19/94/31/823199431.db2.gz HPYVGAMKEWAWTH-UHFFFAOYSA-N -1 1 388.823 4.076 20 0 GIADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)c1 ZINC000176462457 823212696 /nfs/dbraw/zinc/21/26/96/823212696.db2.gz GPITUDBJAPJJOR-UHFFFAOYSA-N -1 1 386.517 4.031 20 0 GIADMM O=C([N-]c1c(F)cc(Br)cc1F)c1csc([C@H]2CCCO2)n1 ZINC000121625861 823218601 /nfs/dbraw/zinc/21/86/01/823218601.db2.gz ZGVUTNFFZAXXOV-LLVKDONJSA-N -1 1 389.221 4.288 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N([C@@H](C)C3CC3)C3CC3)c2)c1 ZINC000056935334 823232529 /nfs/dbraw/zinc/23/25/29/823232529.db2.gz HUUZUBZWMHHBPS-INIZCTEOSA-N -1 1 398.528 4.199 20 0 GIADMM CCOc1cc(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)cc(Cl)c1[O-] ZINC000571824078 823240181 /nfs/dbraw/zinc/24/01/81/823240181.db2.gz HJTHMSYKGSUEAJ-UHFFFAOYSA-N -1 1 399.878 4.367 20 0 GIADMM CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000121765894 823245934 /nfs/dbraw/zinc/24/59/34/823245934.db2.gz JVZNZTXCCORZTQ-PBHICJAKSA-N -1 1 388.537 4.091 20 0 GIADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)c2ccccc12 ZINC000057118522 823250564 /nfs/dbraw/zinc/25/05/64/823250564.db2.gz RVZCAUWZFRSWJP-UHFFFAOYSA-N -1 1 398.484 4.306 20 0 GIADMM O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1c(F)ccc([O-])c1F ZINC000571905354 823252028 /nfs/dbraw/zinc/25/20/28/823252028.db2.gz PJNRQWFSAZQOPW-UHFFFAOYSA-N -1 1 380.803 4.377 20 0 GIADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000176681103 823266335 /nfs/dbraw/zinc/26/63/35/823266335.db2.gz VANSJGVIJTWGTB-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121947891 823282863 /nfs/dbraw/zinc/28/28/63/823282863.db2.gz VVZMSONWIRVNKP-UHFFFAOYSA-N -1 1 394.515 4.357 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1 ZINC000122040613 823297559 /nfs/dbraw/zinc/29/75/59/823297559.db2.gz QAVDEHNWTDZNQU-UHFFFAOYSA-N -1 1 376.412 4.420 20 0 GIADMM CCc1cc2c(COC(=O)c3cc(F)c(F)cc3Cl)cc(=O)oc2cc1[O-] ZINC000007646389 817887327 /nfs/dbraw/zinc/88/73/27/817887327.db2.gz SDVAYORUELTVRE-UHFFFAOYSA-N -1 1 394.757 4.350 20 0 GIADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188745005 823296767 /nfs/dbraw/zinc/29/67/67/823296767.db2.gz JLDICTBVANIWHB-MRXNPFEDSA-N -1 1 386.883 4.056 20 0 GIADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1csc(-c2ccc(F)cc2)n1 ZINC000007710172 817899950 /nfs/dbraw/zinc/89/99/50/817899950.db2.gz BHTXXHBYQNPSKP-UHFFFAOYSA-N -1 1 397.383 4.118 20 0 GIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000122072730 823302122 /nfs/dbraw/zinc/30/21/22/823302122.db2.gz JSGDXBOXUYCGOC-UHFFFAOYSA-N -1 1 399.708 4.468 20 0 GIADMM Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000008181130 818014064 /nfs/dbraw/zinc/01/40/64/818014064.db2.gz IKKDZEQZLARNFZ-UHFFFAOYSA-N -1 1 392.908 4.075 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000011193781 818060312 /nfs/dbraw/zinc/06/03/12/818060312.db2.gz JOFMJXRVONUUMH-UHFFFAOYSA-N -1 1 392.528 4.154 20 0 GIADMM Cc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)ccc1N1CCCC1 ZINC000011326047 818072537 /nfs/dbraw/zinc/07/25/37/818072537.db2.gz YFMXRINZYGWSDY-UHFFFAOYSA-N -1 1 399.545 4.217 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)N[N-]C(=O)c1oc2ccccc2c1C ZINC000012687698 818176224 /nfs/dbraw/zinc/17/62/24/818176224.db2.gz HXZVSMXVGCEWEU-UHFFFAOYSA-N -1 1 391.452 4.248 20 0 GIADMM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015348593 818315263 /nfs/dbraw/zinc/31/52/63/818315263.db2.gz KKTNUECOMBBDNV-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC000015734750 818364946 /nfs/dbraw/zinc/36/49/46/818364946.db2.gz DPLOSBMVOLTOCS-UHFFFAOYSA-N -1 1 392.908 4.013 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2C)c1 ZINC000015950470 818379358 /nfs/dbraw/zinc/37/93/58/818379358.db2.gz VVIQGQISHUKRDQ-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000016506417 818451234 /nfs/dbraw/zinc/45/12/34/818451234.db2.gz BKQYVUZYUGQFDX-UHFFFAOYSA-N -1 1 398.488 4.044 20 0 GIADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000189005093 823341034 /nfs/dbraw/zinc/34/10/34/823341034.db2.gz JRVDWWDVCMSRJW-UHFFFAOYSA-N -1 1 396.516 4.206 20 0 GIADMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000122440245 823354461 /nfs/dbraw/zinc/35/44/61/823354461.db2.gz VCZNORFZPAZDBC-UHFFFAOYSA-N -1 1 386.214 4.037 20 0 GIADMM CN(Cc1cscn1)Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000572563629 823361582 /nfs/dbraw/zinc/36/15/82/823361582.db2.gz IQFPDIBUEYWHSK-UHFFFAOYSA-N -1 1 389.427 4.011 20 0 GIADMM Cc1ccccc1CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000022098841 818771882 /nfs/dbraw/zinc/77/18/82/818771882.db2.gz ZPDYJZLUXZPKDE-UHFFFAOYSA-N -1 1 390.464 4.246 20 0 GIADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cccc3ccccc32)c(=O)[n-]1 ZINC000022228831 818784418 /nfs/dbraw/zinc/78/44/18/818784418.db2.gz PPSPCSQVBJWICH-CYBMUJFWSA-N -1 1 381.501 4.176 20 0 GIADMM CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])cc3O)o2)cc1 ZINC000022250199 818786083 /nfs/dbraw/zinc/78/60/83/818786083.db2.gz DOSZPGZOXJMLND-UHFFFAOYSA-N -1 1 384.457 4.420 20 0 GIADMM CSc1nc(C)c(CCC(=O)N2CCC(CCc3ccccc3)CC2)c(=O)[n-]1 ZINC000022431673 818806287 /nfs/dbraw/zinc/80/62/87/818806287.db2.gz LWHCRHZELINLJB-UHFFFAOYSA-N -1 1 399.560 4.017 20 0 GIADMM CN(Cc1cnn(-c2ccccc2)c1)Cn1c(=S)[n-]nc1CCC1CCCC1 ZINC000058205223 823368571 /nfs/dbraw/zinc/36/85/71/823368571.db2.gz UGIXUQMYAFGQBJ-UHFFFAOYSA-N -1 1 396.564 4.339 20 0 GIADMM COc1ccc(CN(Cn2c(=S)[n-]nc2Cc2cccs2)C2CC2)cc1 ZINC000058205147 823368635 /nfs/dbraw/zinc/36/86/35/823368635.db2.gz YSHQAVQQIQUCIC-UHFFFAOYSA-N -1 1 386.546 4.224 20 0 GIADMM Cc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225461 823369772 /nfs/dbraw/zinc/36/97/72/823369772.db2.gz LGVNKHSWTSGAQY-UHFFFAOYSA-N -1 1 396.512 4.481 20 0 GIADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)n1 ZINC000022930418 818877713 /nfs/dbraw/zinc/87/77/13/818877713.db2.gz XULKFCBWSGECJA-GFCCVEGCSA-N -1 1 399.472 4.203 20 0 GIADMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000022960006 818880358 /nfs/dbraw/zinc/88/03/58/818880358.db2.gz IOQHZVORQTYQRE-UHFFFAOYSA-N -1 1 388.533 4.313 20 0 GIADMM CC(C)[C@H](C)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000058262857 823372506 /nfs/dbraw/zinc/37/25/06/823372506.db2.gz STQPSELOHRLTQU-INIZCTEOSA-N -1 1 386.517 4.137 20 0 GIADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H]1Cc1ccccc1 ZINC000572687466 823383288 /nfs/dbraw/zinc/38/32/88/823383288.db2.gz ALPIRWSOUAKKJC-CQSZACIVSA-N -1 1 397.272 4.160 20 0 GIADMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1cc(Cl)cc(Cl)c1 ZINC000024576293 819074611 /nfs/dbraw/zinc/07/46/11/819074611.db2.gz PERAZBDZZHDZKN-UHFFFAOYSA-N -1 1 396.255 4.377 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C ZINC000024579715 819075471 /nfs/dbraw/zinc/07/54/71/819075471.db2.gz PZKRHPNYQYGOJZ-QGZVFWFLSA-N -1 1 386.517 4.119 20 0 GIADMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460425752 823385189 /nfs/dbraw/zinc/38/51/89/823385189.db2.gz MHCCGGDDBPWCQI-UHFFFAOYSA-N -1 1 388.533 4.267 20 0 GIADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)[nH][n-]2)c1 ZINC000410077167 823385365 /nfs/dbraw/zinc/38/53/65/823385365.db2.gz RYUGZGWRKKWVOQ-UHFFFAOYSA-N -1 1 399.376 4.023 20 0 GIADMM CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ncccc2[O-])c1 ZINC000122738225 823403073 /nfs/dbraw/zinc/40/30/73/823403073.db2.gz UAZSSHGHQJUOMR-INIZCTEOSA-N -1 1 389.455 4.149 20 0 GIADMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1F ZINC000572876029 823412550 /nfs/dbraw/zinc/41/25/50/823412550.db2.gz MPLOXXYSYYIZRG-UHFFFAOYSA-N -1 1 377.359 4.490 20 0 GIADMM CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000058611356 823416926 /nfs/dbraw/zinc/41/69/26/823416926.db2.gz NXYFWZALYIHZMJ-UHFFFAOYSA-N -1 1 382.432 4.284 20 0 GIADMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1 ZINC000058716367 823438159 /nfs/dbraw/zinc/43/81/59/823438159.db2.gz RZUNWUBMJXLEOR-UHFFFAOYSA-N -1 1 399.468 4.305 20 0 GIADMM COCc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000025335243 819965538 /nfs/dbraw/zinc/96/55/38/819965538.db2.gz CSLRCKXDNAPDAR-UHFFFAOYSA-N -1 1 382.489 4.091 20 0 GIADMM CCCCC[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000025346991 819967930 /nfs/dbraw/zinc/96/79/30/819967930.db2.gz YJKASCVFHJBHNK-AWEZNQCLSA-N -1 1 376.526 4.091 20 0 GIADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741530 820020742 /nfs/dbraw/zinc/02/07/42/820020742.db2.gz WVXZVKQPMPYUAC-UHFFFAOYSA-N -1 1 378.519 4.194 20 0 GIADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(COc3ccccc3)c2C)c1 ZINC000123010272 823447554 /nfs/dbraw/zinc/44/75/54/823447554.db2.gz QKTBUUZZUSJHTM-UHFFFAOYSA-N -1 1 390.439 4.490 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)c1 ZINC000027232286 820213110 /nfs/dbraw/zinc/21/31/10/820213110.db2.gz PASLWMKLUQOQBL-KRWDZBQOSA-N -1 1 388.533 4.221 20 0 GIADMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027338808 820227180 /nfs/dbraw/zinc/22/71/80/820227180.db2.gz MYVIJKQIUUIYMQ-OAHLLOKOSA-N -1 1 388.533 4.313 20 0 GIADMM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1 ZINC000410326617 823464057 /nfs/dbraw/zinc/46/40/57/823464057.db2.gz OJUDNTJFODKWTD-UHFFFAOYSA-N -1 1 384.295 4.265 20 0 GIADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)c(C)c1 ZINC000027597706 820265184 /nfs/dbraw/zinc/26/51/84/820265184.db2.gz LMQLXRHMWOUHOP-UHFFFAOYSA-N -1 1 382.489 4.075 20 0 GIADMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(-c4ncc[nH]4)cc3)c2)n1 ZINC000410335181 823466569 /nfs/dbraw/zinc/46/65/69/823466569.db2.gz MJLFKTRCVIGYFU-UHFFFAOYSA-N -1 1 396.497 4.309 20 0 GIADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000027698307 820277294 /nfs/dbraw/zinc/27/72/94/820277294.db2.gz DMERWGSMYADIOR-OXJNMPFZSA-N -1 1 386.517 4.186 20 0 GIADMM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000027772049 820284717 /nfs/dbraw/zinc/28/47/17/820284717.db2.gz JPFQZTXLXAEEAM-UHFFFAOYSA-N -1 1 384.844 4.036 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000027802071 820287377 /nfs/dbraw/zinc/28/73/77/820287377.db2.gz MBFPOQIUSIHSMD-UHFFFAOYSA-N -1 1 399.472 4.019 20 0 GIADMM CCCCN(CC)C(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000028664412 820348153 /nfs/dbraw/zinc/34/81/53/820348153.db2.gz LIUMESWLXHKADN-UHFFFAOYSA-N -1 1 376.526 4.045 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCCc2ccccc2)cc1 ZINC000028832910 820361844 /nfs/dbraw/zinc/36/18/44/820361844.db2.gz JDLJARDDYMXRAR-UHFFFAOYSA-N -1 1 394.544 4.445 20 0 GIADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccccc1N1CCCCC1 ZINC000029573018 820478539 /nfs/dbraw/zinc/47/85/39/820478539.db2.gz AXDXORWJMHEKEF-UHFFFAOYSA-N -1 1 399.545 4.298 20 0 GIADMM CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000029800758 820521002 /nfs/dbraw/zinc/52/10/02/820521002.db2.gz TWLRIMSMZPCUIG-UHFFFAOYSA-N -1 1 377.238 4.002 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000030315148 820599473 /nfs/dbraw/zinc/59/94/73/820599473.db2.gz DKDVDCMLSNFCRY-GFCCVEGCSA-N -1 1 379.913 4.018 20 0 GIADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000030530719 820633279 /nfs/dbraw/zinc/63/32/79/820633279.db2.gz IYZYNMDAWIVEKJ-MRXNPFEDSA-N -1 1 386.517 4.237 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000031040303 820727378 /nfs/dbraw/zinc/72/73/78/820727378.db2.gz LRKVVOSDOZVYIA-IBGZPJMESA-N -1 1 378.501 4.184 20 0 GIADMM Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000031109076 820744883 /nfs/dbraw/zinc/74/48/83/820744883.db2.gz WYFCJRFQOARKAR-UHFFFAOYSA-N -1 1 394.496 4.034 20 0 GIADMM CCN(CC(C)C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000031376511 820799728 /nfs/dbraw/zinc/79/97/28/820799728.db2.gz GLXVSMUNSXRAGI-UHFFFAOYSA-N -1 1 392.496 4.053 20 0 GIADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000031668673 820842112 /nfs/dbraw/zinc/84/21/12/820842112.db2.gz XWSWPXWNNSPGNM-QGZVFWFLSA-N -1 1 381.881 4.007 20 0 GIADMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000031776999 820858287 /nfs/dbraw/zinc/85/82/87/820858287.db2.gz ZEUASZSIEHDCPE-UHFFFAOYSA-N -1 1 396.516 4.331 20 0 GIADMM CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000032064842 820892741 /nfs/dbraw/zinc/89/27/41/820892741.db2.gz CXACAPDGHKENNQ-AWEZNQCLSA-N -1 1 394.924 4.401 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000032098524 820898268 /nfs/dbraw/zinc/89/82/68/820898268.db2.gz GVACOCYZLXWNLZ-UHFFFAOYSA-N -1 1 381.881 4.471 20 0 GIADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c2ccccc12 ZINC000032585278 820972394 /nfs/dbraw/zinc/97/23/94/820972394.db2.gz OKKDNHZQBJMKMI-UHFFFAOYSA-N -1 1 385.441 4.157 20 0 GIADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631207 820980319 /nfs/dbraw/zinc/98/03/19/820980319.db2.gz UOINWZITQQEMHB-QFIPXVFZSA-N -1 1 390.464 4.345 20 0 GIADMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1F ZINC000032631469 820980914 /nfs/dbraw/zinc/98/09/14/820980914.db2.gz NBIKSUIHXQMLPB-LJQANCHMSA-N -1 1 396.443 4.291 20 0 GIADMM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000060358721 823519549 /nfs/dbraw/zinc/51/95/49/823519549.db2.gz QMFJYLQACYTHJC-KHAFMBKQSA-N -1 1 387.867 4.217 20 0 GIADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCC3)cc2)cc1C ZINC000033054219 821028909 /nfs/dbraw/zinc/02/89/09/821028909.db2.gz MSMUCCALNIXHDL-UHFFFAOYSA-N -1 1 386.517 4.024 20 0 GIADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033858494 821060712 /nfs/dbraw/zinc/06/07/12/821060712.db2.gz UELFLUCWOXDYHD-UHFFFAOYSA-N -1 1 380.469 4.137 20 0 GIADMM Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000060412078 823524620 /nfs/dbraw/zinc/52/46/20/823524620.db2.gz PAMDDTTYWYEOJU-UHFFFAOYSA-N -1 1 394.496 4.285 20 0 GIADMM Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060412116 823524697 /nfs/dbraw/zinc/52/46/97/823524697.db2.gz QJCQIIMSQFWVOO-UHFFFAOYSA-N -1 1 390.848 4.295 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1C(=O)NC(C)C ZINC000460832743 823524827 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C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1F ZINC000042802511 821334399 /nfs/dbraw/zinc/33/43/99/821334399.db2.gz ZYJGNQLQRFGMCF-ZDUSSCGKSA-N -1 1 388.414 4.036 20 0 GIADMM O=C(N[C@@H]1CCSc2ccccc21)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043166196 821371308 /nfs/dbraw/zinc/37/13/08/821371308.db2.gz PUFZFTBFQBIDCD-LJQANCHMSA-N -1 1 396.512 4.234 20 0 GIADMM O=C(Nc1cc(Cl)ccc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043527827 821422500 /nfs/dbraw/zinc/42/25/00/821422500.db2.gz PRBQKVSULDTGOX-UHFFFAOYSA-N -1 1 376.815 4.312 20 0 GIADMM O=S(=O)([N-]c1cccc(NC(=S)NC2CCCCC2)c1)c1ccccc1 ZINC000044081105 821518490 /nfs/dbraw/zinc/51/84/90/821518490.db2.gz XEOXXJAZDYNUJY-UHFFFAOYSA-N -1 1 389.546 4.107 20 0 GIADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000181067619 821616924 /nfs/dbraw/zinc/61/69/24/821616924.db2.gz BUINIAMHLQDVKO-ROUUACIJSA-N -1 1 398.459 4.093 20 0 GIADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000181072731 821619269 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CCCS(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F ZINC000182708435 822356678 /nfs/dbraw/zinc/35/66/78/822356678.db2.gz JBDUPWXGOIMUTQ-UHFFFAOYSA-N -1 1 382.404 4.204 20 0 GIADMM CC(C)[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000045149723 822365732 /nfs/dbraw/zinc/36/57/32/822365732.db2.gz QPMOZVMMKHBHCN-NRFANRHFSA-N -1 1 380.488 4.394 20 0 GIADMM CCc1onc(C)c1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182784684 822367278 /nfs/dbraw/zinc/36/72/78/822367278.db2.gz JIIZUPRSODSDNO-UHFFFAOYSA-N -1 1 394.200 4.354 20 0 GIADMM C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000182830769 822374513 /nfs/dbraw/zinc/37/45/13/822374513.db2.gz RBQGHNDGZQRYJR-MRXNPFEDSA-N -1 1 395.484 4.370 20 0 GIADMM COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000182924110 822393634 /nfs/dbraw/zinc/39/36/34/822393634.db2.gz JZLSOWIYCIMSFI-LBPRGKRZSA-N -1 1 394.265 4.016 20 0 GIADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000178743506 822406775 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GIADMM CC(F)(F)CCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000455085961 822587332 /nfs/dbraw/zinc/58/73/32/822587332.db2.gz BVHGEPIWPJECOS-UHFFFAOYSA-N -1 1 397.447 4.044 20 0 GIADMM CN(C)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1Cl ZINC000048243204 822647892 /nfs/dbraw/zinc/64/78/92/822647892.db2.gz YMEFGIIDXRPBSS-UHFFFAOYSA-N -1 1 393.925 4.027 20 0 GIADMM N#Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1C(F)(F)F ZINC000180278137 822653486 /nfs/dbraw/zinc/65/34/86/822653486.db2.gz JRWCNXIPNSPWSJ-UHFFFAOYSA-N -1 1 396.177 4.080 20 0 GIADMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000180351991 822668350 /nfs/dbraw/zinc/66/83/50/822668350.db2.gz LZHUPXXLRQYFQZ-QGZVFWFLSA-N -1 1 385.464 4.055 20 0 GIADMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc(Cl)c1F ZINC000048652789 822676830 /nfs/dbraw/zinc/67/68/30/822676830.db2.gz YFNIIYKUECRYCE-UHFFFAOYSA-N -1 1 382.613 4.182 20 0 GIADMM CN(CCCC(=O)[O-])CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000455642469 822689536 /nfs/dbraw/zinc/68/95/36/822689536.db2.gz LWOMELOJWDUCMD-UHFFFAOYSA-N -1 1 392.908 4.226 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@H]3CC[C@@H]3C)c2)c1 ZINC000455777599 822724862 /nfs/dbraw/zinc/72/48/62/822724862.db2.gz DGMUVXPMSRPFHX-KSSFIOAISA-N -1 1 387.505 4.024 20 0 GIADMM Cc1c(=O)[n-]c(S[C@@H](C)c2cn(-c3ccccc3)nn2)nc1-c1ccccc1 ZINC000185051496 822729442 /nfs/dbraw/zinc/72/94/42/822729442.db2.gz RZBMTJVWTIDMCJ-HNNXBMFYSA-N -1 1 389.484 4.179 20 0 GIADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534289 822733072 /nfs/dbraw/zinc/73/30/72/822733072.db2.gz PGHNXIDKMNBWTK-UHFFFAOYSA-N -1 1 386.517 4.123 20 0 GIADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC4(CC4)C3)cc2)c1 ZINC000185317459 822764883 /nfs/dbraw/zinc/76/48/83/822764883.db2.gz AANVPBFNHAKUGJ-UHFFFAOYSA-N -1 1 398.528 4.120 20 0 GIADMM O=C([N-]c1nc2ccc(F)cn2n1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000174469132 822794428 /nfs/dbraw/zinc/79/44/28/822794428.db2.gz MRGJQVRSAPTCBX-UHFFFAOYSA-N -1 1 395.008 4.129 20 0 GIADMM CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c([O-])c1 ZINC000052748610 822809298 /nfs/dbraw/zinc/80/92/98/822809298.db2.gz VOLMXDNAVKUQSE-HNNXBMFYSA-N -1 1 392.459 4.164 20 0 GIADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000174669727 822821359 /nfs/dbraw/zinc/82/13/59/822821359.db2.gz RYDITBNELSWHNP-UHFFFAOYSA-N -1 1 390.461 4.249 20 0 GIADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1sccc1C(C)C ZINC000053109802 822822077 /nfs/dbraw/zinc/82/20/77/822822077.db2.gz XSJNHZFYROWRAX-UHFFFAOYSA-N -1 1 385.514 4.378 20 0 GIADMM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781498 822830591 /nfs/dbraw/zinc/83/05/91/822830591.db2.gz DZQDHHMFAGDIGJ-CQSZACIVSA-N -1 1 396.821 4.107 20 0 GIADMM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000456788174 822830958 /nfs/dbraw/zinc/83/09/58/822830958.db2.gz RECAMFHXJYGHQS-UHFFFAOYSA-N -1 1 376.403 4.226 20 0 GIADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)cc1 ZINC000174773853 822835382 /nfs/dbraw/zinc/83/53/82/822835382.db2.gz WAEHQCIVVIEKTG-AWEZNQCLSA-N -1 1 388.489 4.266 20 0 GIADMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000053819929 822849390 /nfs/dbraw/zinc/84/93/90/822849390.db2.gz VSBDVMOAELOKEU-UHFFFAOYSA-N -1 1 398.488 4.042 20 0 GIADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2O)cc1 ZINC000174941132 822858686 /nfs/dbraw/zinc/85/86/86/822858686.db2.gz ZWGIEIDYWGYEHR-UHFFFAOYSA-N -1 1 396.468 4.062 20 0 GIADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(F)(F)F)c1 ZINC000054293393 822873540 /nfs/dbraw/zinc/87/35/40/822873540.db2.gz GNZAUNYCCTXVDX-UHFFFAOYSA-N -1 1 395.786 4.177 20 0 GIADMM COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc1NC(C)=O ZINC000186315857 822875184 /nfs/dbraw/zinc/87/51/84/822875184.db2.gz XIMBKAWPPGINQX-VIFPVBQESA-N -1 1 397.244 4.434 20 0 GIADMM COCCOc1ccccc1N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186426763 822892956 /nfs/dbraw/zinc/89/29/56/822892956.db2.gz MKDOXCAKEKXKPS-NSHDSACASA-N -1 1 384.245 4.492 20 0 GIADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000569238594 822895544 /nfs/dbraw/zinc/89/55/44/822895544.db2.gz RNBIGIXBLKVYSB-IGCXYCKISA-N -1 1 378.925 4.461 20 0 GIADMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000186476281 822901597 /nfs/dbraw/zinc/90/15/97/822901597.db2.gz RAGIYAYWPXPOCZ-QMMMGPOBSA-N -1 1 398.859 4.206 20 0 GIADMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccc(C)cc1 ZINC000054895428 822920409 /nfs/dbraw/zinc/92/04/09/822920409.db2.gz QKBPIGACDYTLEQ-QPEQYQDCSA-N -1 1 375.500 4.465 20 0 GIADMM CCCC(=O)Nc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000186625643 822925442 /nfs/dbraw/zinc/92/54/42/822925442.db2.gz HUEAFODICQJELY-UHFFFAOYSA-N -1 1 390.867 4.113 20 0 GIADMM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000569470235 822927041 /nfs/dbraw/zinc/92/70/41/822927041.db2.gz CUCSZAMJGMZXQC-INIZCTEOSA-N -1 1 397.519 4.272 20 0 GIADMM O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000175310383 822931466 /nfs/dbraw/zinc/93/14/66/822931466.db2.gz JLNLMABBDXNUKS-UHFFFAOYSA-N -1 1 378.331 4.208 20 0 GIADMM CCOc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(Cl)c1[O-] ZINC000186697420 822939612 /nfs/dbraw/zinc/93/96/12/822939612.db2.gz WTZBFORIVJNELO-ACJLOTCBSA-N -1 1 375.852 4.047 20 0 GIADMM C[C@@H]1CCC[C@H](CNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000055480592 822968390 /nfs/dbraw/zinc/96/83/90/822968390.db2.gz LIOYTDJYLOTNAD-OLZOCXBDSA-N -1 1 378.929 4.204 20 0 GIADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000055518815 822973519 /nfs/dbraw/zinc/97/35/19/822973519.db2.gz XOVHFVPTOWVAEI-GOSISDBHSA-N -1 1 393.516 4.065 20 0 GIADMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc2N1 ZINC000055545937 822976897 /nfs/dbraw/zinc/97/68/97/822976897.db2.gz GNECPYCRENNDLC-UHFFFAOYSA-N -1 1 398.456 4.077 20 0 GIADMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(CCCl)cc3)cc2)o1 ZINC000055582412 822982088 /nfs/dbraw/zinc/98/20/88/822982088.db2.gz WWHHZXMXJCNNQE-UHFFFAOYSA-N -1 1 376.865 4.232 20 0 GIADMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000055592114 822983619 /nfs/dbraw/zinc/98/36/19/822983619.db2.gz QXSWVMFESXDKFT-UHFFFAOYSA-N -1 1 386.517 4.269 20 0 GIADMM O=C(Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F)C1CCCCC1 ZINC000055593999 822984655 /nfs/dbraw/zinc/98/46/55/822984655.db2.gz JOIVARNPFZXKRY-UHFFFAOYSA-N -1 1 394.443 4.284 20 0 GIADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1 ZINC000055621392 822989095 /nfs/dbraw/zinc/98/90/95/822989095.db2.gz ILUAMOIZASXQTF-UHFFFAOYSA-N -1 1 389.395 4.304 20 0 GIADMM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1ccc2c(c1)CCC2 ZINC000055633087 822990164 /nfs/dbraw/zinc/99/01/64/822990164.db2.gz KVUTWUGQTZEGPJ-UHFFFAOYSA-N -1 1 383.469 4.286 20 0 GIADMM CCOc1cc(-c2noc(-c3c[nH]c(=O)c4ccccc34)n2)cc(Cl)c1[O-] ZINC000569968362 822990973 /nfs/dbraw/zinc/99/09/73/822990973.db2.gz VNWWJCYMNPLYEU-UHFFFAOYSA-N -1 1 383.791 4.415 20 0 GIADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000055651392 822993248 /nfs/dbraw/zinc/99/32/48/822993248.db2.gz XNMPDHFZZNWDBA-INIZCTEOSA-N -1 1 386.517 4.064 20 0 GIADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000055663243 822995900 /nfs/dbraw/zinc/99/59/00/822995900.db2.gz IBWJLONWIASLNX-UHFFFAOYSA-N -1 1 380.469 4.357 20 0 GIADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000055682174 822998364 /nfs/dbraw/zinc/99/83/64/822998364.db2.gz AQOVEUYQLYZQTE-UHFFFAOYSA-N -1 1 399.749 4.029 20 0 GIADMM Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc(F)c1F ZINC000570182506 823013045 /nfs/dbraw/zinc/01/30/45/823013045.db2.gz QEMKXQGEYPAPGZ-UHFFFAOYSA-N -1 1 382.432 4.059 20 0 GIADMM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1ocnc1C1CC1 ZINC000570360219 823028872 /nfs/dbraw/zinc/02/88/72/823028872.db2.gz MYHRERKHDURMBF-UHFFFAOYSA-N -1 1 391.250 4.085 20 0 GIADMM CCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000060624458 823548859 /nfs/dbraw/zinc/54/88/59/823548859.db2.gz LYBDBMNZSXOQOS-UHFFFAOYSA-N -1 1 394.924 4.368 20 0 GIADMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000190232552 823553656 /nfs/dbraw/zinc/55/36/56/823553656.db2.gz POSYBNWTWXKUCM-KRWDZBQOSA-N -1 1 396.468 4.156 20 0 GIADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000190250190 823555887 /nfs/dbraw/zinc/55/58/87/823555887.db2.gz NHABNXMEIFRRFR-UHFFFAOYSA-N -1 1 379.290 4.123 20 0 GIADMM CCOc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc(Cl)c1[O-] ZINC000190654371 823595403 /nfs/dbraw/zinc/59/54/03/823595403.db2.gz UINVGXRPSWCJHR-CYBMUJFWSA-N -1 1 379.806 4.495 20 0 GIADMM CC[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(OC)cc1 ZINC000124602023 823610254 /nfs/dbraw/zinc/61/02/54/823610254.db2.gz CHZUGYLATXBBLD-QGZVFWFLSA-N -1 1 395.499 4.406 20 0 GIADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(C4CCC4)c3)c3cccc(c23)C1=O ZINC000461335004 823619640 /nfs/dbraw/zinc/61/96/40/823619640.db2.gz RZNKHGXYVMMLBG-UHFFFAOYSA-N -1 1 392.480 4.498 20 0 GIADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000461337610 823620260 /nfs/dbraw/zinc/62/02/60/823620260.db2.gz DQSFENRGMXPYKO-XKGZKEIXSA-N -1 1 398.528 4.186 20 0 GIADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCC(OC2CCCCC2)CC1 ZINC000124723835 823621033 /nfs/dbraw/zinc/62/10/33/823621033.db2.gz PDXCCQDRGCWNHN-UHFFFAOYSA-N -1 1 392.594 4.364 20 0 GIADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000124777357 823625409 /nfs/dbraw/zinc/62/54/09/823625409.db2.gz HOHQYHVJNZANKN-UHFFFAOYSA-N -1 1 383.629 4.019 20 0 GIADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000190975666 823633175 /nfs/dbraw/zinc/63/31/75/823633175.db2.gz VRIIMKWSUOQGAW-UHFFFAOYSA-N -1 1 387.798 4.039 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)cc2)cc1 ZINC000461490090 823647459 /nfs/dbraw/zinc/64/74/59/823647459.db2.gz RTZACTOJXMVVAG-LAUBAEHRSA-N -1 1 398.528 4.201 20 0 GIADMM O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccccc1[O-] ZINC000062916300 823648428 /nfs/dbraw/zinc/64/84/28/823648428.db2.gz OORLLHLOVXMADR-UHFFFAOYSA-N -1 1 392.842 4.387 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1 ZINC000063273882 823658880 /nfs/dbraw/zinc/65/88/80/823658880.db2.gz FJZDPULFQZBXBX-INIZCTEOSA-N -1 1 386.517 4.058 20 0 GIADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]NC(=S)Nc1cc(C)ccc1F ZINC000063363351 823665592 /nfs/dbraw/zinc/66/55/92/823665592.db2.gz CWWCOEPQEQWLDB-UHFFFAOYSA-N -1 1 391.855 4.474 20 0 GIADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc21 ZINC000063476140 823675047 /nfs/dbraw/zinc/67/50/47/823675047.db2.gz ZMTMSOUKQUNLRG-UHFFFAOYSA-N -1 1 386.473 4.013 20 0 GIADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000412785068 823682393 /nfs/dbraw/zinc/68/23/93/823682393.db2.gz RPQBJHXTJAQXCG-GFCCVEGCSA-N -1 1 388.414 4.183 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(COC(C)C)c2)cc1 ZINC000063816214 823699210 /nfs/dbraw/zinc/69/92/10/823699210.db2.gz GPCYIMKBEYZKIR-UHFFFAOYSA-N -1 1 396.516 4.480 20 0 GIADMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000063878419 823704858 /nfs/dbraw/zinc/70/48/58/823704858.db2.gz FPTRHMVEPGYTEB-UHFFFAOYSA-N -1 1 386.860 4.393 20 0 GIADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000064309659 823788958 /nfs/dbraw/zinc/78/89/58/823788958.db2.gz YQXWFFXAQHOQLR-UHFFFAOYSA-N -1 1 388.533 4.412 20 0 GIADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C(F)(F)F)c1 ZINC000064375149 823803404 /nfs/dbraw/zinc/80/34/04/823803404.db2.gz XMYCMTKVQGUOFX-UHFFFAOYSA-N -1 1 377.359 4.352 20 0 GIADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(O[C@H](C)CC)c2)cc1 ZINC000064477155 823826889 /nfs/dbraw/zinc/82/68/89/823826889.db2.gz LSGJLZZYVSGFFE-CQSZACIVSA-N -1 1 376.478 4.013 20 0 GIADMM Cc1cc(C)nc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000126421834 823862861 /nfs/dbraw/zinc/86/28/61/823862861.db2.gz UMGTUFZENWPSRA-UHFFFAOYSA-N -1 1 395.484 4.060 20 0 GIADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C ZINC000413992368 823885156 /nfs/dbraw/zinc/88/51/56/823885156.db2.gz PDLQYZOZINNJCH-QGZVFWFLSA-N -1 1 396.535 4.158 20 0 GIADMM CSc1nc(C)c(CCC(=O)N(C)c2ccccc2-c2ccccc2)c(=O)[n-]1 ZINC000064815349 823891141 /nfs/dbraw/zinc/89/11/41/823891141.db2.gz NGNIJVSJIISADW-UHFFFAOYSA-N -1 1 393.512 4.063 20 0 GIADMM COc1cc(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc(Cl)c1[O-] ZINC000414034089 823893452 /nfs/dbraw/zinc/89/34/52/823893452.db2.gz FSUSQBZZJOBRCM-NSHDSACASA-N -1 1 390.842 4.046 20 0 GIADMM O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000192208491 823902850 /nfs/dbraw/zinc/90/28/50/823902850.db2.gz BFKKGTRVCOCWAP-UHFFFAOYSA-N -1 1 387.867 4.245 20 0 GIADMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192217125 823906227 /nfs/dbraw/zinc/90/62/27/823906227.db2.gz HRZXMQGMSVLKRG-UHFFFAOYSA-N -1 1 382.869 4.013 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1O ZINC000064937941 823915415 /nfs/dbraw/zinc/91/54/15/823915415.db2.gz GMBOPVNQBHWXKX-UHFFFAOYSA-N -1 1 377.409 4.422 20 0 GIADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064938008 823915833 /nfs/dbraw/zinc/91/58/33/823915833.db2.gz XOIPWKMHEUZOMN-UHFFFAOYSA-N -1 1 377.409 4.498 20 0 GIADMM O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000575132530 823919472 /nfs/dbraw/zinc/91/94/72/823919472.db2.gz BOKYCTIYZILXHL-OAHLLOKOSA-N -1 1 385.407 4.096 20 0 GIADMM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000462358556 823940007 /nfs/dbraw/zinc/94/00/07/823940007.db2.gz KONIMHNLHNLPJC-UHFFFAOYSA-N -1 1 388.832 4.449 20 0 GIADMM C[C@H](CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)c1ccc(F)c(F)c1 ZINC000462393717 823957938 /nfs/dbraw/zinc/95/79/38/823957938.db2.gz JGAWGCKOGMSSJV-SSDOTTSWSA-N -1 1 378.322 4.090 20 0 GIADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1 ZINC000414378074 823969128 /nfs/dbraw/zinc/96/91/28/823969128.db2.gz FXGNNYOZBOPNIJ-KRWDZBQOSA-N -1 1 398.528 4.453 20 0 GIADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2C[C@H](C)c3ccccc32)cc1 ZINC000126940999 823985669 /nfs/dbraw/zinc/98/56/69/823985669.db2.gz XDNPTRHIAPUMEB-HNNXBMFYSA-N -1 1 378.501 4.457 20 0 GIADMM C[C@@H]1CN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)c2ccccc21 ZINC000126946083 823986973 /nfs/dbraw/zinc/98/69/73/823986973.db2.gz DKZFMGUWWIOLAA-GFCCVEGCSA-N -1 1 384.892 4.411 20 0 GIADMM CC(=O)CC(C)(C)CC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000192433828 823991922 /nfs/dbraw/zinc/99/19/22/823991922.db2.gz XHKBMQBZVZIWCH-UHFFFAOYSA-N -1 1 398.484 4.090 20 0 GIADMM CC(C)[C@H]1CCC[C@H](NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000170903293 824003150 /nfs/dbraw/zinc/00/31/50/824003150.db2.gz MZGUTQSLFQMMIR-KBPBESRZSA-N -1 1 378.567 4.390 20 0 GIADMM CSc1nc(C)c(CCC(=O)Nc2cc(C(F)F)ccc2Cl)c(=O)[n-]1 ZINC000575834396 824007024 /nfs/dbraw/zinc/00/70/24/824007024.db2.gz PSVOBBRGWXGZCH-UHFFFAOYSA-N -1 1 387.839 4.375 20 0 GIADMM COc1cccc(COc2cccc(Cl)c2CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000414684718 824023609 /nfs/dbraw/zinc/02/36/09/824023609.db2.gz ROBZSKUNGWXFSX-INIZCTEOSA-N -1 1 389.879 4.224 20 0 GIADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000008291852 221034911 /nfs/dbraw/zinc/03/49/11/221034911.db2.gz LBNXTNKHQKNDED-UHFFFAOYSA-N -1 1 384.432 4.187 20 0 GIADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1C ZINC000008291835 221034919 /nfs/dbraw/zinc/03/49/19/221034919.db2.gz DJALJYGARRTRRT-UHFFFAOYSA-N -1 1 398.459 4.496 20 0 GIADMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000016122117 221357590 /nfs/dbraw/zinc/35/75/90/221357590.db2.gz DDRYDWQMQBUDGT-UHFFFAOYSA-N -1 1 386.395 4.101 20 0 GIADMM