smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc(NC(=O)Cc3cc(F)ccc3Br)[n-]2)o1 ZINC000159367228 565203890 /nfs/dbraw/zinc/20/38/90/565203890.db2.gz QVKAHKOCFTURTD-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cc(F)ccc3Br)n2)o1 ZINC000159367228 565203894 /nfs/dbraw/zinc/20/38/94/565203894.db2.gz QVKAHKOCFTURTD-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)Cc3cc(F)ccc3Br)n[n-]2)o1 ZINC000159367228 565203898 /nfs/dbraw/zinc/20/38/98/565203898.db2.gz QVKAHKOCFTURTD-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](O)C3CCCCC3)s2)cs1 ZINC000159544146 565210297 /nfs/dbraw/zinc/21/02/97/565210297.db2.gz NBNOJARECLCZER-AWEZNQCLSA-N -1 3 386.564 3.400 20 70 GGIDHM COc1ccsc1S(=O)(=O)[N-]c1ccc(CCN2CCSCC2)cc1 ZINC000159737522 565216269 /nfs/dbraw/zinc/21/62/69/565216269.db2.gz AEKLDVQBENEAIQ-UHFFFAOYSA-N -1 3 398.575 3.149 20 70 GGIDHM COCc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000159971570 565226610 /nfs/dbraw/zinc/22/66/10/565226610.db2.gz VKVBRSJMDSPIHV-UHFFFAOYSA-N -1 3 379.254 3.301 20 70 GGIDHM COCCOc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000160050387 565228495 /nfs/dbraw/zinc/22/84/95/565228495.db2.gz OVAUTTWTEQUJDW-UHFFFAOYSA-N -1 3 380.238 3.361 20 70 GGIDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000160138533 565232717 /nfs/dbraw/zinc/23/27/17/565232717.db2.gz NJRUEHWFPIHBCH-NWDGAFQWSA-N -1 3 383.286 3.378 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3I)[n-]2)o1 ZINC000160186507 565235456 /nfs/dbraw/zinc/23/54/56/565235456.db2.gz UGPVERNNQPBQGT-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3I)n2)o1 ZINC000160186507 565235459 /nfs/dbraw/zinc/23/54/59/565235459.db2.gz UGPVERNNQPBQGT-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3I)n[n-]2)o1 ZINC000160186507 565235462 /nfs/dbraw/zinc/23/54/62/565235462.db2.gz UGPVERNNQPBQGT-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)c3n[nH]c(C(C)C)c3Br)[n-]2)o1 ZINC000160194365 565235484 /nfs/dbraw/zinc/23/54/84/565235484.db2.gz YHPXPINSIXZGNQ-UHFFFAOYSA-N -1 3 379.218 3.234 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3n[nH]c(C(C)C)c3Br)n2)o1 ZINC000160194365 565235487 /nfs/dbraw/zinc/23/54/87/565235487.db2.gz YHPXPINSIXZGNQ-UHFFFAOYSA-N -1 3 379.218 3.234 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)c3n[nH]c(C(C)C)c3Br)n[n-]2)o1 ZINC000160194365 565235490 /nfs/dbraw/zinc/23/54/90/565235490.db2.gz YHPXPINSIXZGNQ-UHFFFAOYSA-N -1 3 379.218 3.234 20 70 GGIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1Br ZINC000160397845 565244264 /nfs/dbraw/zinc/24/42/64/565244264.db2.gz JHSJNLPJFARFFG-UHFFFAOYSA-N -1 3 377.198 3.397 20 70 GGIDHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1Br ZINC000160397845 565244268 /nfs/dbraw/zinc/24/42/68/565244268.db2.gz JHSJNLPJFARFFG-UHFFFAOYSA-N -1 3 377.198 3.397 20 70 GGIDHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1Br ZINC000160397845 565244273 /nfs/dbraw/zinc/24/42/73/565244273.db2.gz JHSJNLPJFARFFG-UHFFFAOYSA-N -1 3 377.198 3.397 20 70 GGIDHM Cc1ncsc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160493489 565247683 /nfs/dbraw/zinc/24/76/83/565247683.db2.gz DVHSBCDOWPFNHP-UHFFFAOYSA-N -1 3 399.694 3.485 20 70 GGIDHM Cc1cccnc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160507820 565247808 /nfs/dbraw/zinc/24/78/08/565247808.db2.gz DIDCCGLOICFEOV-UHFFFAOYSA-N -1 3 393.665 3.424 20 70 GGIDHM COc1cccc(CCNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000160796833 565259558 /nfs/dbraw/zinc/25/95/58/565259558.db2.gz VQRWJYRXPCNPQW-UHFFFAOYSA-N -1 3 379.254 3.205 20 70 GGIDHM CC(C)Oc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000160860105 565262291 /nfs/dbraw/zinc/26/22/91/565262291.db2.gz GOIGWFDJTYYZNJ-UHFFFAOYSA-N -1 3 394.269 3.336 20 70 GGIDHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1 ZINC000160858672 565262304 /nfs/dbraw/zinc/26/23/04/565262304.db2.gz UUUBJDJGZRZEIE-UHFFFAOYSA-N -1 3 377.857 3.240 20 70 GGIDHM Cn1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000160954049 565265634 /nfs/dbraw/zinc/26/56/34/565265634.db2.gz DPJZXCZHGOXJCH-UHFFFAOYSA-N -1 3 381.654 3.059 20 70 GGIDHM COc1cc(OC)c(NC([O-])=NOCCC(F)(F)F)cc1Br ZINC000161130557 565274715 /nfs/dbraw/zinc/27/47/15/565274715.db2.gz JVQDQUXTJDWMEP-UHFFFAOYSA-N -1 3 387.152 3.472 20 70 GGIDHM COc1cc(OC)c(NC(=O)[N-]OCCC(F)(F)F)cc1Br ZINC000161130557 565274719 /nfs/dbraw/zinc/27/47/19/565274719.db2.gz JVQDQUXTJDWMEP-UHFFFAOYSA-N -1 3 387.152 3.472 20 70 GGIDHM Cc1noc([N-]C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)n1 ZINC000161244955 565277845 /nfs/dbraw/zinc/27/78/45/565277845.db2.gz HCHVLDNJPQVBJB-UHFFFAOYSA-N -1 3 388.225 3.067 20 70 GGIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000161263026 565279435 /nfs/dbraw/zinc/27/94/35/565279435.db2.gz FNWOOUPVTXNJOW-LBPRGKRZSA-N -1 3 399.299 3.357 20 70 GGIDHM COc1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1OC ZINC000161353175 565283013 /nfs/dbraw/zinc/28/30/13/565283013.db2.gz PTBYMAOCDUFQTR-UHFFFAOYSA-N -1 3 395.253 3.171 20 70 GGIDHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000217130635 565897294 /nfs/dbraw/zinc/89/72/94/565897294.db2.gz UYWADMFBKHTNFX-UHFFFAOYSA-N -1 3 394.301 3.363 20 70 GGIDHM COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000217036549 565897605 /nfs/dbraw/zinc/89/76/05/565897605.db2.gz SHHMMPVQTXOOIZ-CQSZACIVSA-N -1 3 378.222 3.189 20 70 GGIDHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCc2c1cnn2C ZINC000159749015 565216236 /nfs/dbraw/zinc/21/62/36/565216236.db2.gz WRRJHHSUDPELAE-CQSZACIVSA-N -1 3 393.285 3.107 20 70 GGIDHM CN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCc2c1cnn2C ZINC000159749139 565216935 /nfs/dbraw/zinc/21/69/35/565216935.db2.gz WRRJHHSUDPELAE-AWEZNQCLSA-N -1 3 393.285 3.107 20 70 GGIDHM O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc(Br)cc1[O-] ZINC000159785569 565217443 /nfs/dbraw/zinc/21/74/43/565217443.db2.gz HLQOIJZICYSBTM-UHFFFAOYSA-N -1 3 378.182 3.369 20 70 GGIDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)c(I)c1 ZINC000159803860 565218875 /nfs/dbraw/zinc/21/88/75/565218875.db2.gz QCGUESRTVGMTHS-UHFFFAOYSA-N -1 3 389.139 3.205 20 70 GGIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000159825693 565219914 /nfs/dbraw/zinc/21/99/14/565219914.db2.gz BNEBVDZJGSHQQD-MRVPVSSYSA-N -1 3 380.363 3.359 20 70 GGIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000159849916 565221396 /nfs/dbraw/zinc/22/13/96/565221396.db2.gz CXBOUHQSVSSZOC-ZETCQYMHSA-N -1 3 379.301 3.025 20 70 GGIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000159880544 565222433 /nfs/dbraw/zinc/22/24/33/565222433.db2.gz FWTLNEMUJXYQGW-QMMMGPOBSA-N -1 3 380.363 3.359 20 70 GGIDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000159937481 565224940 /nfs/dbraw/zinc/22/49/40/565224940.db2.gz PGSJTQFINNZNOS-UHFFFAOYSA-N -1 3 379.243 3.297 20 70 GGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000160135158 565232362 /nfs/dbraw/zinc/23/23/62/565232362.db2.gz ZRWJETJSMZMOHZ-INIZCTEOSA-N -1 3 386.489 3.283 20 70 GGIDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)cc1Cl ZINC000160199458 565235444 /nfs/dbraw/zinc/23/54/44/565235444.db2.gz WIQGKAUPGODGJC-SECBINFHSA-N -1 3 386.832 3.183 20 70 GGIDHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000160606690 565253165 /nfs/dbraw/zinc/25/31/65/565253165.db2.gz LHWCPASBQBGVSM-INIZCTEOSA-N -1 3 378.519 3.007 20 70 GGIDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccn(CC(F)(F)F)n1 ZINC000160669667 565256031 /nfs/dbraw/zinc/25/60/31/565256031.db2.gz NPHIXUATNPSAGN-UHFFFAOYSA-N -1 3 393.163 3.235 20 70 GGIDHM Cc1cc(Cl)ccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000160715645 565257059 /nfs/dbraw/zinc/25/70/59/565257059.db2.gz ZLQDGHUFIALACO-UHFFFAOYSA-N -1 3 398.937 3.293 20 70 GGIDHM COc1ccccc1-c1nc(NC(=O)Cc2cccc(Br)c2)n[n-]1 ZINC000160898741 565264677 /nfs/dbraw/zinc/26/46/77/565264677.db2.gz QUVFZZIXIHEBBS-UHFFFAOYSA-N -1 3 387.237 3.424 20 70 GGIDHM CN(CC(F)(F)F)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000160961609 565266701 /nfs/dbraw/zinc/26/67/01/565266701.db2.gz IQUOYALEPSTTQY-UHFFFAOYSA-N -1 3 398.472 3.384 20 70 GGIDHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1c(Cl)cccc1Cl ZINC000161227641 565277624 /nfs/dbraw/zinc/27/76/24/565277624.db2.gz VKPKFXWXKFHPGK-GFCCVEGCSA-N -1 3 399.299 3.357 20 70 GGIDHM COC(=O)C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000217036591 565897280 /nfs/dbraw/zinc/89/72/80/565897280.db2.gz SHHMMPVQTXOOIZ-AWEZNQCLSA-N -1 3 378.222 3.189 20 70 GGIDHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000159385378 565203987 /nfs/dbraw/zinc/20/39/87/565203987.db2.gz KLWQGWNWKDQKCV-SNVBAGLBSA-N -1 3 389.308 3.002 20 70 GGIDHM CCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1S(C)(=O)=O ZINC000159375853 565204224 /nfs/dbraw/zinc/20/42/24/565204224.db2.gz PAQJYARTNOFRRX-UHFFFAOYSA-N -1 3 398.278 3.373 20 70 GGIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cc(C(F)(F)F)ccc1Cl ZINC000159762822 565217529 /nfs/dbraw/zinc/21/75/29/565217529.db2.gz JJPUBMKQUPYXNW-UHFFFAOYSA-N -1 3 379.787 3.330 20 70 GGIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cc(Br)ccc1Cl ZINC000159772937 565218322 /nfs/dbraw/zinc/21/83/22/565218322.db2.gz DVUMJCOFMMHTIS-UHFFFAOYSA-N -1 3 390.686 3.073 20 70 GGIDHM CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159848259 565221539 /nfs/dbraw/zinc/22/15/39/565221539.db2.gz QMNOGFLLPTWZLR-UHFFFAOYSA-N -1 3 399.713 3.004 20 70 GGIDHM O=S(=O)([N-]CCN1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000159900179 565223021 /nfs/dbraw/zinc/22/30/21/565223021.db2.gz DKVYLJBTNRUHEH-UHFFFAOYSA-N -1 3 399.713 3.006 20 70 GGIDHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1 ZINC000159965883 565226735 /nfs/dbraw/zinc/22/67/35/565226735.db2.gz XMBNMWIJKLPOSH-UHFFFAOYSA-N -1 3 393.665 3.424 20 70 GGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160196553 565235421 /nfs/dbraw/zinc/23/54/21/565235421.db2.gz OUFRLJVLZMWBNG-HNNXBMFYSA-N -1 3 395.257 3.274 20 70 GGIDHM Cc1cccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1[O-] ZINC000160272752 565238616 /nfs/dbraw/zinc/23/86/16/565238616.db2.gz OMFIBTCFGFQOBQ-UHFFFAOYSA-N -1 3 382.229 3.237 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(Br)cc3)[n-]2)o1 ZINC000160382049 565242952 /nfs/dbraw/zinc/24/29/52/565242952.db2.gz REVVVUKVLKTFGY-UHFFFAOYSA-N -1 3 377.198 3.153 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(Br)cc3)n2)o1 ZINC000160382049 565242957 /nfs/dbraw/zinc/24/29/57/565242957.db2.gz REVVVUKVLKTFGY-UHFFFAOYSA-N -1 3 377.198 3.153 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccc(Br)cc3)n[n-]2)o1 ZINC000160382049 565242965 /nfs/dbraw/zinc/24/29/65/565242965.db2.gz REVVVUKVLKTFGY-UHFFFAOYSA-N -1 3 377.198 3.153 20 70 GGIDHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)c([O-])c1 ZINC000160395221 565244445 /nfs/dbraw/zinc/24/44/45/565244445.db2.gz SMWKFIBKOJGHRT-AWEZNQCLSA-N -1 3 379.254 3.315 20 70 GGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cc(Br)cs1 ZINC000160788034 565259705 /nfs/dbraw/zinc/25/97/05/565259705.db2.gz BLOSKPYZNWRXCB-UHFFFAOYSA-N -1 3 382.251 3.408 20 70 GGIDHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1cnn(C)c1 ZINC000160840066 565261850 /nfs/dbraw/zinc/26/18/50/565261850.db2.gz RRRRWGHMGOWFQC-ZETCQYMHSA-N -1 3 396.669 3.015 20 70 GGIDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c1 ZINC000160844394 565262335 /nfs/dbraw/zinc/26/23/35/565262335.db2.gz OGQOQJWYXAPHNK-UHFFFAOYSA-N -1 3 384.248 3.078 20 70 GGIDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cc(F)c(Br)cc2F)o1 ZINC000160922139 565264660 /nfs/dbraw/zinc/26/46/60/565264660.db2.gz AMPBZWIJWAPRCF-UHFFFAOYSA-N -1 3 394.193 3.117 20 70 GGIDHM COc1cc(C(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1[O-] ZINC000160962588 565266530 /nfs/dbraw/zinc/26/65/30/565266530.db2.gz BLYJVQRAAUHYGR-UHFFFAOYSA-N -1 3 380.238 3.444 20 70 GGIDHM CCc1noc2ncc(S(=O)(=O)[N-]c3c(F)c(F)cc(F)c3F)cc12 ZINC000161024722 565269089 /nfs/dbraw/zinc/26/90/89/565269089.db2.gz GFQWHSRMGFUDDS-UHFFFAOYSA-N -1 3 375.303 3.142 20 70 GGIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl ZINC000161250327 565279413 /nfs/dbraw/zinc/27/94/13/565279413.db2.gz UOQGZOVWTZCJEP-ZDUSSCGKSA-N -1 3 399.299 3.357 20 70 GGIDHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(OC)c1 ZINC000161378827 565283108 /nfs/dbraw/zinc/28/31/08/565283108.db2.gz GQBULLXWSFWFFX-UHFFFAOYSA-N -1 3 395.253 3.171 20 70 GGIDHM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000159362469 565204679 /nfs/dbraw/zinc/20/46/79/565204679.db2.gz GQGLHEJAKQAZOX-LLVKDONJSA-N -1 3 389.308 3.002 20 70 GGIDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccccc3CO)s2)cs1 ZINC000159748023 565216272 /nfs/dbraw/zinc/21/62/72/565216272.db2.gz HTSMAACLMDPHIQ-UHFFFAOYSA-N -1 3 380.516 3.151 20 70 GGIDHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Br)cc1Cl ZINC000159750312 565216518 /nfs/dbraw/zinc/21/65/18/565216518.db2.gz PIPXZMYHPWBQBY-UHFFFAOYSA-N -1 3 390.686 3.073 20 70 GGIDHM CCc1ccc([C@@H](CO)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000160037405 565229262 /nfs/dbraw/zinc/22/92/62/565229262.db2.gz KFRCQWFWIGTZFZ-MRXNPFEDSA-N -1 3 393.281 3.250 20 70 GGIDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2Br)o1 ZINC000160076388 565229993 /nfs/dbraw/zinc/22/99/93/565229993.db2.gz IWSOYJPRXQRLFR-UHFFFAOYSA-N -1 3 392.202 3.159 20 70 GGIDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000160138414 565232327 /nfs/dbraw/zinc/23/23/27/565232327.db2.gz NJRUEHWFPIHBCH-VXGBXAGGSA-N -1 3 383.286 3.378 20 70 GGIDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000160138150 565232834 /nfs/dbraw/zinc/23/28/34/565232834.db2.gz NJRUEHWFPIHBCH-NEPJUHHUSA-N -1 3 383.286 3.378 20 70 GGIDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1 ZINC000160172706 565233969 /nfs/dbraw/zinc/23/39/69/565233969.db2.gz OTBQXEOJLADAMY-JTQLQIEISA-N -1 3 386.267 3.203 20 70 GGIDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cccc(O)c1 ZINC000160193712 565235474 /nfs/dbraw/zinc/23/54/74/565235474.db2.gz DBZLRJNSACUSDB-QMMMGPOBSA-N -1 3 392.221 3.472 20 70 GGIDHM CCc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1CC(C)C ZINC000160329217 565240492 /nfs/dbraw/zinc/24/04/92/565240492.db2.gz UCRNUNZHVSIFND-UHFFFAOYSA-N -1 3 380.286 3.500 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(I)c3)[n-]2)o1 ZINC000160363040 565241374 /nfs/dbraw/zinc/24/13/74/565241374.db2.gz ZEGLYVRZHSQECK-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(I)c3)n2)o1 ZINC000160363040 565241380 /nfs/dbraw/zinc/24/13/80/565241380.db2.gz ZEGLYVRZHSQECK-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(I)c3)n[n-]2)o1 ZINC000160363040 565241383 /nfs/dbraw/zinc/24/13/83/565241383.db2.gz ZEGLYVRZHSQECK-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)N(C)C1CC1 ZINC000160464365 565246445 /nfs/dbraw/zinc/24/64/45/565246445.db2.gz ZZWOQOAHUSJSTN-MRVPVSSYSA-N -1 3 399.713 3.003 20 70 GGIDHM Cc1ccc(C)c([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000160606763 565252468 /nfs/dbraw/zinc/25/24/68/565252468.db2.gz LHWCPASBQBGVSM-MRXNPFEDSA-N -1 3 378.519 3.007 20 70 GGIDHM CCC(CC)c1nnc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000160819155 565260392 /nfs/dbraw/zinc/26/03/92/565260392.db2.gz VETGPHQQWWPGLA-UHFFFAOYSA-N -1 3 386.474 3.205 20 70 GGIDHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(F)c(Br)cc3F)nc2n1 ZINC000160964806 565266332 /nfs/dbraw/zinc/26/63/32/565266332.db2.gz RGSJVBOXCQRPCU-UHFFFAOYSA-N -1 3 382.168 3.034 20 70 GGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cc(F)ccc1Br ZINC000160958189 565266582 /nfs/dbraw/zinc/26/65/82/565266582.db2.gz SJXROVXZOJPZOB-UHFFFAOYSA-N -1 3 394.212 3.486 20 70 GGIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1c(Cl)cccc1Cl ZINC000161227557 565278210 /nfs/dbraw/zinc/27/82/10/565278210.db2.gz VKPKFXWXKFHPGK-LBPRGKRZSA-N -1 3 399.299 3.357 20 70 GGIDHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl ZINC000161250476 565278813 /nfs/dbraw/zinc/27/88/13/565278813.db2.gz UOQGZOVWTZCJEP-CYBMUJFWSA-N -1 3 399.299 3.357 20 70 GGIDHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000161263110 565278963 /nfs/dbraw/zinc/27/89/63/565278963.db2.gz FNWOOUPVTXNJOW-GFCCVEGCSA-N -1 3 399.299 3.357 20 70 GGIDHM CCOC(=O)c1sc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)nc1C ZINC000159444568 565206864 /nfs/dbraw/zinc/20/68/64/565206864.db2.gz VQFQIFJNGUHZSO-JTQLQIEISA-N -1 3 382.869 3.407 20 70 GGIDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000159512378 565209343 /nfs/dbraw/zinc/20/93/43/565209343.db2.gz RIMQNSHZOBOAJP-UHFFFAOYSA-N -1 3 383.267 3.002 20 70 GGIDHM Cc1ccc(Br)c(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000159694509 565215338 /nfs/dbraw/zinc/21/53/38/565215338.db2.gz RVSYVVBLAWFLLA-UHFFFAOYSA-N -1 3 391.265 3.013 20 70 GGIDHM COc1ccsc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(Cl)c1 ZINC000159760106 565217448 /nfs/dbraw/zinc/21/74/48/565217448.db2.gz FSNCEUNTZDJMOQ-UHFFFAOYSA-N -1 3 390.914 3.151 20 70 GGIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000159851609 565221112 /nfs/dbraw/zinc/22/11/12/565221112.db2.gz SPPAQJZGBNKZSQ-MRVPVSSYSA-N -1 3 391.262 3.103 20 70 GGIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000159849775 565221251 /nfs/dbraw/zinc/22/12/51/565221251.db2.gz CXBOUHQSVSSZOC-SSDOTTSWSA-N -1 3 379.301 3.025 20 70 GGIDHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1I ZINC000159875241 565222198 /nfs/dbraw/zinc/22/21/98/565222198.db2.gz GRZVELFXEMRGPI-UHFFFAOYSA-N -1 3 387.148 3.397 20 70 GGIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000159880419 565222470 /nfs/dbraw/zinc/22/24/70/565222470.db2.gz FWTLNEMUJXYQGW-MRVPVSSYSA-N -1 3 380.363 3.359 20 70 GGIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000159917039 565223718 /nfs/dbraw/zinc/22/37/18/565223718.db2.gz HQGADBQYRPPKNJ-LBPRGKRZSA-N -1 3 390.288 3.020 20 70 GGIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000159940130 565225502 /nfs/dbraw/zinc/22/55/02/565225502.db2.gz IHULFRLJEWUHGM-LBPRGKRZSA-N -1 3 390.288 3.020 20 70 GGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)ccc1-n1cccn1 ZINC000160024597 565227614 /nfs/dbraw/zinc/22/76/14/565227614.db2.gz PXFOTRMXIYPURT-AWEZNQCLSA-N -1 3 381.230 3.215 20 70 GGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)ccc1-n1cccn1 ZINC000160024597 565227619 /nfs/dbraw/zinc/22/76/19/565227619.db2.gz PXFOTRMXIYPURT-AWEZNQCLSA-N -1 3 381.230 3.215 20 70 GGIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2Br)oc1C ZINC000160088457 565230406 /nfs/dbraw/zinc/23/04/06/565230406.db2.gz OOYLENDGASIVBW-UHFFFAOYSA-N -1 3 392.202 3.077 20 70 GGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000160135297 565232945 /nfs/dbraw/zinc/23/29/45/565232945.db2.gz ZRWJETJSMZMOHZ-MRXNPFEDSA-N -1 3 386.489 3.283 20 70 GGIDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cccc(O)c1 ZINC000160193850 565234879 /nfs/dbraw/zinc/23/48/79/565234879.db2.gz DBZLRJNSACUSDB-MRVPVSSYSA-N -1 3 392.221 3.472 20 70 GGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160196430 565235510 /nfs/dbraw/zinc/23/55/10/565235510.db2.gz OUFRLJVLZMWBNG-OAHLLOKOSA-N -1 3 395.257 3.274 20 70 GGIDHM O=C(NCc1ccc([O-])c(Br)c1)c1csc([C@@H]2CCCO2)n1 ZINC000160328245 565240238 /nfs/dbraw/zinc/24/02/38/565240238.db2.gz TZUCZWFZTRYKRG-ZDUSSCGKSA-N -1 3 383.267 3.393 20 70 GGIDHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000160442107 565245830 /nfs/dbraw/zinc/24/58/30/565245830.db2.gz JMEHGWSEJVHEKW-UHFFFAOYSA-N -1 3 399.713 3.004 20 70 GGIDHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000161007712 565269217 /nfs/dbraw/zinc/26/92/17/565269217.db2.gz LIKFMLSHWYHMTF-OAHLLOKOSA-N -1 3 378.270 3.081 20 70 GGIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000161044769 565269802 /nfs/dbraw/zinc/26/98/02/565269802.db2.gz WDTRDNOCFAYDJL-CYBMUJFWSA-N -1 3 393.814 3.241 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cc(Br)ccc3F)[n-]2)o1 ZINC000159367073 565204768 /nfs/dbraw/zinc/20/47/68/565204768.db2.gz QDAXQLVIQKVENE-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cc(Br)ccc3F)n2)o1 ZINC000159367073 565204773 /nfs/dbraw/zinc/20/47/73/565204773.db2.gz QDAXQLVIQKVENE-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)Cc3cc(Br)ccc3F)n[n-]2)o1 ZINC000159367073 565204776 /nfs/dbraw/zinc/20/47/76/565204776.db2.gz QDAXQLVIQKVENE-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM O=C(NCCCOc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000159715171 565215256 /nfs/dbraw/zinc/21/52/56/565215256.db2.gz KYEXJSPCJYSILT-UHFFFAOYSA-N -1 3 379.254 3.423 20 70 GGIDHM Cc1ccc(I)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000159803579 565218630 /nfs/dbraw/zinc/21/86/30/565218630.db2.gz HEOGMYGDDHMAQB-UHFFFAOYSA-N -1 3 385.176 3.374 20 70 GGIDHM CCN(Cc1cc([O-])ccc1Br)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159908334 565223417 /nfs/dbraw/zinc/22/34/17/565223417.db2.gz FZFUXFDWHPDCGK-UHFFFAOYSA-N -1 3 388.265 3.413 20 70 GGIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000159916898 565223482 /nfs/dbraw/zinc/22/34/82/565223482.db2.gz HQGADBQYRPPKNJ-GFCCVEGCSA-N -1 3 390.288 3.020 20 70 GGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Br)ccc1-n1cccn1 ZINC000160024470 565227904 /nfs/dbraw/zinc/22/79/04/565227904.db2.gz PXFOTRMXIYPURT-CQSZACIVSA-N -1 3 381.230 3.215 20 70 GGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)ccc1-n1cccn1 ZINC000160024470 565227905 /nfs/dbraw/zinc/22/79/05/565227905.db2.gz PXFOTRMXIYPURT-CQSZACIVSA-N -1 3 381.230 3.215 20 70 GGIDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)cc1Cl ZINC000160199317 565235339 /nfs/dbraw/zinc/23/53/39/565235339.db2.gz WIQGKAUPGODGJC-VIFPVBQESA-N -1 3 386.832 3.183 20 70 GGIDHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Br)c([O-])c1 ZINC000160395075 565244377 /nfs/dbraw/zinc/24/43/77/565244377.db2.gz SMWKFIBKOJGHRT-CQSZACIVSA-N -1 3 379.254 3.315 20 70 GGIDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)N(C)C1CC1 ZINC000160464227 565247023 /nfs/dbraw/zinc/24/70/23/565247023.db2.gz ZZWOQOAHUSJSTN-QMMMGPOBSA-N -1 3 399.713 3.003 20 70 GGIDHM COC(=O)c1csc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000160771466 565259021 /nfs/dbraw/zinc/25/90/21/565259021.db2.gz XCELGQGZEGCRSF-UHFFFAOYSA-N -1 3 385.239 3.325 20 70 GGIDHM COc1cc(C(=O)Nc2cccc(I)c2)cc(OC)c1[O-] ZINC000160819955 565260689 /nfs/dbraw/zinc/26/06/89/565260689.db2.gz FGAGYWCWBOHVDP-UHFFFAOYSA-N -1 3 399.184 3.266 20 70 GGIDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(F)c(Br)cc1F ZINC000160845976 565261635 /nfs/dbraw/zinc/26/16/35/565261635.db2.gz JOPWAXYIVYHGCA-UHFFFAOYSA-N -1 3 398.163 3.128 20 70 GGIDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1cnn(C)c1 ZINC000160840210 565262297 /nfs/dbraw/zinc/26/22/97/565262297.db2.gz RRRRWGHMGOWFQC-SSDOTTSWSA-N -1 3 396.669 3.015 20 70 GGIDHM COc1cc(C(=O)N(C)Cc2ccccc2Br)cc(OC)c1[O-] ZINC000160939776 565265271 /nfs/dbraw/zinc/26/52/71/565265271.db2.gz CJFICWCFLBDQKJ-UHFFFAOYSA-N -1 3 380.238 3.444 20 70 GGIDHM COCCOc1cccc(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000160977721 565266614 /nfs/dbraw/zinc/26/66/14/565266614.db2.gz KSIXARVMVDTXGF-UHFFFAOYSA-N -1 3 394.265 3.039 20 70 GGIDHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000161007637 565268928 /nfs/dbraw/zinc/26/89/28/565268928.db2.gz LIKFMLSHWYHMTF-HNNXBMFYSA-N -1 3 378.270 3.081 20 70 GGIDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c(C)c1 ZINC000161057872 565271281 /nfs/dbraw/zinc/27/12/81/565271281.db2.gz XKTGULZQYLFDDC-UHFFFAOYSA-N -1 3 385.482 3.096 20 70 GGIDHM O=C(NCCc1c(F)cccc1F)NCc1ccc([O-])c(Br)c1 ZINC000161224797 565278226 /nfs/dbraw/zinc/27/82/26/565278226.db2.gz HRJZLLQPMVPUHU-UHFFFAOYSA-N -1 3 385.208 3.475 20 70 GGIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl ZINC000161258364 565279086 /nfs/dbraw/zinc/27/90/86/565279086.db2.gz JUFLPJRQJQYNJK-LBPRGKRZSA-N -1 3 399.299 3.357 20 70 GGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)c(F)cc1I ZINC000161405640 565284044 /nfs/dbraw/zinc/28/40/44/565284044.db2.gz YHOMRSPPWAUMQY-LLVKDONJSA-N -1 3 398.147 3.149 20 70 GGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(F)c(F)cc1I ZINC000161405640 565284047 /nfs/dbraw/zinc/28/40/47/565284047.db2.gz YHOMRSPPWAUMQY-LLVKDONJSA-N -1 3 398.147 3.149 20 70 GGIDHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000161459709 565285674 /nfs/dbraw/zinc/28/56/74/565285674.db2.gz KCKQKOAEAANOIE-UHFFFAOYSA-N -1 3 375.738 3.324 20 70 GGIDHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000161459709 565285677 /nfs/dbraw/zinc/28/56/77/565285677.db2.gz KCKQKOAEAANOIE-UHFFFAOYSA-N -1 3 375.738 3.324 20 70 GGIDHM O=C(CCc1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216735942 565895449 /nfs/dbraw/zinc/89/54/49/565895449.db2.gz RYZDYIGZUDSFPI-UHFFFAOYSA-N -1 3 376.806 3.190 20 70 GGIDHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000159385509 565204077 /nfs/dbraw/zinc/20/40/77/565204077.db2.gz KLWQGWNWKDQKCV-JTQLQIEISA-N -1 3 389.308 3.002 20 70 GGIDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](O)C3CCCCC3)s2)cs1 ZINC000159544287 565210344 /nfs/dbraw/zinc/21/03/44/565210344.db2.gz NBNOJARECLCZER-CQSZACIVSA-N -1 3 386.564 3.400 20 70 GGIDHM COCc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000159609676 565213205 /nfs/dbraw/zinc/21/32/05/565213205.db2.gz FYTIHASKGSPNKY-UHFFFAOYSA-N -1 3 379.254 3.301 20 70 GGIDHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Cl)cc1C(F)(F)F ZINC000159749395 565216653 /nfs/dbraw/zinc/21/66/53/565216653.db2.gz PYCKLFPZXZUJRM-UHFFFAOYSA-N -1 3 379.787 3.330 20 70 GGIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000159877670 565222571 /nfs/dbraw/zinc/22/25/71/565222571.db2.gz WYYBPOFZFMKFJW-MRVPVSSYSA-N -1 3 391.262 3.103 20 70 GGIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000159877807 565222984 /nfs/dbraw/zinc/22/29/84/565222984.db2.gz WYYBPOFZFMKFJW-QMMMGPOBSA-N -1 3 391.262 3.103 20 70 GGIDHM CCc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1CC ZINC000160040778 565228755 /nfs/dbraw/zinc/22/87/55/565228755.db2.gz ONJFRPXDGOBTFI-UHFFFAOYSA-N -1 3 385.482 3.155 20 70 GGIDHM CCc1ccc([C@H](CO)NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000160037547 565229235 /nfs/dbraw/zinc/22/92/35/565229235.db2.gz KFRCQWFWIGTZFZ-INIZCTEOSA-N -1 3 393.281 3.250 20 70 GGIDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c1 ZINC000160172820 565234303 /nfs/dbraw/zinc/23/43/03/565234303.db2.gz OTBQXEOJLADAMY-SNVBAGLBSA-N -1 3 386.267 3.203 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(I)cc3)[n-]2)o1 ZINC000160362881 565241099 /nfs/dbraw/zinc/24/10/99/565241099.db2.gz DTBCEUSZTWVQBO-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(I)cc3)n2)o1 ZINC000160362881 565241104 /nfs/dbraw/zinc/24/11/04/565241104.db2.gz DTBCEUSZTWVQBO-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(I)cc3)n[n-]2)o1 ZINC000160362881 565241109 /nfs/dbraw/zinc/24/11/09/565241109.db2.gz DTBCEUSZTWVQBO-UHFFFAOYSA-N -1 3 394.172 3.230 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(F)c(Br)c3)[n-]2)o1 ZINC000160408620 565244159 /nfs/dbraw/zinc/24/41/59/565244159.db2.gz SAXFJIKEWNQDJJ-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(F)c(Br)c3)n2)o1 ZINC000160408620 565244164 /nfs/dbraw/zinc/24/41/64/565244164.db2.gz SAXFJIKEWNQDJJ-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(F)c(Br)c3)n[n-]2)o1 ZINC000160408620 565244168 /nfs/dbraw/zinc/24/41/68/565244168.db2.gz SAXFJIKEWNQDJJ-UHFFFAOYSA-N -1 3 379.189 3.456 20 70 GGIDHM CCCc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1 ZINC000160863997 565261701 /nfs/dbraw/zinc/26/17/01/565261701.db2.gz CVFRXMWFEKSJBN-UHFFFAOYSA-N -1 3 377.857 3.069 20 70 GGIDHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160884656 565263488 /nfs/dbraw/zinc/26/34/88/565263488.db2.gz GEZPMDMUHJBSDU-UHFFFAOYSA-N -1 3 397.236 3.292 20 70 GGIDHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160884656 565263490 /nfs/dbraw/zinc/26/34/90/565263490.db2.gz GEZPMDMUHJBSDU-UHFFFAOYSA-N -1 3 397.236 3.292 20 70 GGIDHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160884656 565263494 /nfs/dbraw/zinc/26/34/94/565263494.db2.gz GEZPMDMUHJBSDU-UHFFFAOYSA-N -1 3 397.236 3.292 20 70 GGIDHM CC(=O)Nc1nc(C(=O)[N-]c2cc(F)c(Br)cc2F)cs1 ZINC000160946092 565265388 /nfs/dbraw/zinc/26/53/88/565265388.db2.gz DMFQXKZMASLYIQ-UHFFFAOYSA-N -1 3 376.182 3.395 20 70 GGIDHM CCc1cc(=O)[n-]c(CNC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000160984310 565267683 /nfs/dbraw/zinc/26/76/83/565267683.db2.gz IJSCMMCQYPENQS-UHFFFAOYSA-N -1 3 392.297 3.303 20 70 GGIDHM COc1cc(F)c(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cc1OC ZINC000160980045 565268046 /nfs/dbraw/zinc/26/80/46/565268046.db2.gz OXRXTNOPJWPQQT-UHFFFAOYSA-N -1 3 383.294 3.200 20 70 GGIDHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000161018381 565268987 /nfs/dbraw/zinc/26/89/87/565268987.db2.gz DUGMXJRPYQIGQL-UHFFFAOYSA-N -1 3 377.315 3.139 20 70 GGIDHM COc1cc(C(=O)NCc2cc(Br)ccc2F)cc(OC)c1[O-] ZINC000161416453 565283857 /nfs/dbraw/zinc/28/38/57/565283857.db2.gz SQUZTJSMMBUNEJ-UHFFFAOYSA-N -1 3 384.201 3.241 20 70 GGIDHM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000159362584 565204474 /nfs/dbraw/zinc/20/44/74/565204474.db2.gz GQGLHEJAKQAZOX-NSHDSACASA-N -1 3 389.308 3.002 20 70 GGIDHM CCOC(=O)c1sc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)nc1C ZINC000159444415 565206536 /nfs/dbraw/zinc/20/65/36/565206536.db2.gz VQFQIFJNGUHZSO-SNVBAGLBSA-N -1 3 382.869 3.407 20 70 GGIDHM CC(C)CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159597174 565211306 /nfs/dbraw/zinc/21/13/06/565211306.db2.gz BUFQAHWYYDRMTG-UHFFFAOYSA-N -1 3 388.917 3.072 20 70 GGIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000159825833 565220047 /nfs/dbraw/zinc/22/00/47/565220047.db2.gz BNEBVDZJGSHQQD-QMMMGPOBSA-N -1 3 380.363 3.359 20 70 GGIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000159851734 565221074 /nfs/dbraw/zinc/22/10/74/565221074.db2.gz SPPAQJZGBNKZSQ-QMMMGPOBSA-N -1 3 391.262 3.103 20 70 GGIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000159939996 565224792 /nfs/dbraw/zinc/22/47/92/565224792.db2.gz IHULFRLJEWUHGM-GFCCVEGCSA-N -1 3 390.288 3.020 20 70 GGIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000160138289 565232439 /nfs/dbraw/zinc/23/24/39/565232439.db2.gz NJRUEHWFPIHBCH-RYUDHWBXSA-N -1 3 383.286 3.378 20 70 GGIDHM COCCCOc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000160139833 565232596 /nfs/dbraw/zinc/23/25/96/565232596.db2.gz YVIHHNYGRVNFES-UHFFFAOYSA-N -1 3 381.226 3.217 20 70 GGIDHM O=C(NCc1ccc([O-])c(Br)c1)c1csc([C@H]2CCCO2)n1 ZINC000160328381 565239732 /nfs/dbraw/zinc/23/97/32/565239732.db2.gz TZUCZWFZTRYKRG-CYBMUJFWSA-N -1 3 383.267 3.393 20 70 GGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(Br)cc3F)[n-]2)o1 ZINC000160292474 565239779 /nfs/dbraw/zinc/23/97/79/565239779.db2.gz VBTPCEXXSYLJSU-UHFFFAOYSA-N -1 3 395.188 3.292 20 70 GGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(Br)cc3F)n2)o1 ZINC000160292474 565239784 /nfs/dbraw/zinc/23/97/84/565239784.db2.gz VBTPCEXXSYLJSU-UHFFFAOYSA-N -1 3 395.188 3.292 20 70 GGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccc(Br)cc3F)n[n-]2)o1 ZINC000160292474 565239787 /nfs/dbraw/zinc/23/97/87/565239787.db2.gz VBTPCEXXSYLJSU-UHFFFAOYSA-N -1 3 395.188 3.292 20 70 GGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cc(Br)ccc1F ZINC000160555779 565250172 /nfs/dbraw/zinc/25/01/72/565250172.db2.gz VRFPASQOIPXAOX-UHFFFAOYSA-N -1 3 394.212 3.486 20 70 GGIDHM COc1cc(C(=O)Nc2ccc(I)cc2)cc(OC)c1[O-] ZINC000160754070 565258082 /nfs/dbraw/zinc/25/80/82/565258082.db2.gz KNGSGOCUSGDFNU-UHFFFAOYSA-N -1 3 399.184 3.266 20 70 GGIDHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160806323 565260607 /nfs/dbraw/zinc/26/06/07/565260607.db2.gz DJQNOZRSTRUGNS-UHFFFAOYSA-N -1 3 388.147 3.249 20 70 GGIDHM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160806323 565260612 /nfs/dbraw/zinc/26/06/12/565260612.db2.gz DJQNOZRSTRUGNS-UHFFFAOYSA-N -1 3 388.147 3.249 20 70 GGIDHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000161043900 565270093 /nfs/dbraw/zinc/27/00/93/565270093.db2.gz PFDFMYLHHCKTMA-UHFFFAOYSA-N -1 3 387.910 3.470 20 70 GGIDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](O)Cc3ccccc3)s2)cs1 ZINC000161042855 565270478 /nfs/dbraw/zinc/27/04/78/565270478.db2.gz KBXTWWOMIPJTIV-CQSZACIVSA-N -1 3 394.543 3.062 20 70 GGIDHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl ZINC000161258498 565278847 /nfs/dbraw/zinc/27/88/47/565278847.db2.gz JUFLPJRQJQYNJK-GFCCVEGCSA-N -1 3 399.299 3.357 20 70 GGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)c(F)cc1I ZINC000161405776 565284027 /nfs/dbraw/zinc/28/40/27/565284027.db2.gz YHOMRSPPWAUMQY-NSHDSACASA-N -1 3 398.147 3.149 20 70 GGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)c(F)cc1I ZINC000161405776 565284032 /nfs/dbraw/zinc/28/40/32/565284032.db2.gz YHOMRSPPWAUMQY-NSHDSACASA-N -1 3 398.147 3.149 20 70 GGIDHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000218391775 565899853 /nfs/dbraw/zinc/89/98/53/565899853.db2.gz SMXFMLRGWYXTQO-UHFFFAOYSA-N -1 3 377.282 3.359 20 70 GGIDHM