smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)[nH]n1 ZINC000159940753 565225212 /nfs/dbraw/zinc/22/52/12/565225212.db2.gz ABDYCLXVSIEBDH-UHFFFAOYSA-N -1 1 376.251 3.455 20 70 GGIDMM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cs1 ZINC000159976113 565226389 /nfs/dbraw/zinc/22/63/89/565226389.db2.gz BFIDIHKVXKQJDI-UHFFFAOYSA-N -1 1 399.694 3.485 20 70 GGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC)cc2)cc1CC ZINC000160018153 565227663 /nfs/dbraw/zinc/22/76/63/565227663.db2.gz QAXMOSSCHTVDPP-UHFFFAOYSA-N -1 1 381.519 3.406 20 70 GGIDMM CSC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160743780 565258438 /nfs/dbraw/zinc/25/84/38/565258438.db2.gz GAPLMRRGHVAIBQ-LURJTMIESA-N -1 1 376.700 3.271 20 70 GGIDMM COc1ccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000160774046 565259274 /nfs/dbraw/zinc/25/92/74/565259274.db2.gz HWBBMGDLMKJPFS-STQMWFEESA-N -1 1 380.491 3.179 20 70 GGIDMM COc1ccc(NC(=O)CCCc2sccc2C)cc1[N-]S(C)(=O)=O ZINC000160773775 565259693 /nfs/dbraw/zinc/25/96/93/565259693.db2.gz QFGARIJOJKEJJH-UHFFFAOYSA-N -1 1 382.507 3.398 20 70 GGIDMM O=S(=O)([N-][C@H]1CCCSC1)c1c(Cl)cc(F)cc1Br ZINC000160963572 565266562 /nfs/dbraw/zinc/26/65/62/565266562.db2.gz CKXAWXDBPOFCJS-QMMMGPOBSA-N -1 1 388.711 3.416 20 70 GGIDMM O=S(=O)([N-][C@@H]1CCCSC1)c1c(Cl)cc(F)cc1Br ZINC000160963493 565266706 /nfs/dbraw/zinc/26/67/06/565266706.db2.gz CKXAWXDBPOFCJS-MRVPVSSYSA-N -1 1 388.711 3.416 20 70 GGIDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCO1 ZINC000161023813 565268679 /nfs/dbraw/zinc/26/86/79/565268679.db2.gz IMKRETLFBUGAQV-GFCCVEGCSA-N -1 1 386.670 3.089 20 70 GGIDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCO1 ZINC000161023920 565268819 /nfs/dbraw/zinc/26/88/19/565268819.db2.gz IMKRETLFBUGAQV-LBPRGKRZSA-N -1 1 386.670 3.089 20 70 GGIDMM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1c(Cl)cccc1C(F)(F)F ZINC000161060586 565271006 /nfs/dbraw/zinc/27/10/06/565271006.db2.gz YXGZYYABOLTKQK-GFCCVEGCSA-N -1 1 393.814 3.241 20 70 GGIDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1Cl ZINC000161193686 565276311 /nfs/dbraw/zinc/27/63/11/565276311.db2.gz AKYGWMASRHXQGL-UHFFFAOYSA-N -1 1 386.832 3.448 20 70 GGIDMM CS[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000161192234 565276346 /nfs/dbraw/zinc/27/63/46/565276346.db2.gz VTKCBBNJCXXCMR-ZCFIWIBFSA-N -1 1 376.700 3.271 20 70 GGIDMM CN1CCN(C(=O)c2cc(Br)ccc2[O-])[C@@H](c2ccccc2)C1 ZINC000216835591 565897373 /nfs/dbraw/zinc/89/73/73/565897373.db2.gz SNNPRLQMLNBOPP-MRXNPFEDSA-N -1 1 375.266 3.284 20 70 GGIDMM CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1Cl ZINC000218336145 565898495 /nfs/dbraw/zinc/89/84/95/565898495.db2.gz CUTURVZBGMCSJX-UHFFFAOYSA-N -1 1 382.869 3.328 20 70 GGIDMM CCN(Cc1ccncc1)C(=O)c1cc(I)ccc1[O-] ZINC000218092310 565898509 /nfs/dbraw/zinc/89/85/09/565898509.db2.gz DDKKOYRUFXBNTD-UHFFFAOYSA-N -1 1 382.201 3.054 20 70 GGIDMM Cc1cc(Cl)cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000159810746 565218841 /nfs/dbraw/zinc/21/88/41/565218841.db2.gz PWEIGMIQLJNDHR-UHFFFAOYSA-N -1 1 380.853 3.047 20 70 GGIDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCCO1 ZINC000159824666 565219928 /nfs/dbraw/zinc/21/99/28/565219928.db2.gz BELIHPOPZWLEAC-HQJQHLMTSA-N -1 1 386.670 3.087 20 70 GGIDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCCO1 ZINC000159824800 565220506 /nfs/dbraw/zinc/22/05/06/565220506.db2.gz BELIHPOPZWLEAC-WRWORJQWSA-N -1 1 386.670 3.087 20 70 GGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)[nH]n1 ZINC000159953836 565225480 /nfs/dbraw/zinc/22/54/80/565225480.db2.gz OVTSMTCGVFARLZ-UHFFFAOYSA-N -1 1 388.287 3.324 20 70 GGIDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1CC ZINC000160094301 565229900 /nfs/dbraw/zinc/22/99/00/565229900.db2.gz KCAVRVTZDXWDTO-UHFFFAOYSA-N -1 1 381.519 3.157 20 70 GGIDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3sccc32)o1 ZINC000160409533 565243756 /nfs/dbraw/zinc/24/37/56/565243756.db2.gz UUWRMKHHROQMGO-GFCCVEGCSA-N -1 1 382.507 3.225 20 70 GGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C)n1 ZINC000160684874 565256067 /nfs/dbraw/zinc/25/60/67/565256067.db2.gz BUVWNSVNUQGBFI-UHFFFAOYSA-N -1 1 378.784 3.454 20 70 GGIDMM CSCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160742575 565258176 /nfs/dbraw/zinc/25/81/76/565258176.db2.gz QJUQEYPSWXEPGZ-UHFFFAOYSA-N -1 1 376.700 3.273 20 70 GGIDMM COc1ccc(NC(=O)[C@H]2C[C@H]2c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000160773923 565259378 /nfs/dbraw/zinc/25/93/78/565259378.db2.gz HWBBMGDLMKJPFS-OLZOCXBDSA-N -1 1 380.491 3.179 20 70 GGIDMM O=S(=O)([N-]CCn1cccc1)c1c(Cl)cc(F)cc1Br ZINC000160973860 565266714 /nfs/dbraw/zinc/26/67/14/565266714.db2.gz UAAOBJIFSRWYHP-UHFFFAOYSA-N -1 1 381.654 3.022 20 70 GGIDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1 ZINC000161050042 565271616 /nfs/dbraw/zinc/27/16/16/565271616.db2.gz RPAHRIKJVVVFNH-UHFFFAOYSA-N -1 1 385.482 3.295 20 70 GGIDMM CN(Cc1ccccc1F)C(=O)c1cc(I)ccc1[O-] ZINC000217418417 565897302 /nfs/dbraw/zinc/89/73/02/565897302.db2.gz RLFFKLWVRSBFIL-UHFFFAOYSA-N -1 1 385.176 3.408 20 70 GGIDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccncc2Br)CC1 ZINC000159593689 565211489 /nfs/dbraw/zinc/21/14/89/565211489.db2.gz WLGHJRVXPYAALY-UHFFFAOYSA-N -1 1 389.249 3.285 20 70 GGIDMM CC(C)OCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159623081 565212567 /nfs/dbraw/zinc/21/25/67/565212567.db2.gz XBVITDGVFILBCI-UHFFFAOYSA-N -1 1 388.686 3.335 20 70 GGIDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)[nH]n1 ZINC000159662344 565213846 /nfs/dbraw/zinc/21/38/46/565213846.db2.gz XBCAKBLOJBMCTH-UHFFFAOYSA-N -1 1 387.303 3.162 20 70 GGIDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCCO1 ZINC000159824547 565220222 /nfs/dbraw/zinc/22/02/22/565220222.db2.gz BELIHPOPZWLEAC-CPCISQLKSA-N -1 1 386.670 3.087 20 70 GGIDMM O=C([N-]O[C@H]1CCCCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160196553 565235418 /nfs/dbraw/zinc/23/54/18/565235418.db2.gz OUFRLJVLZMWBNG-HNNXBMFYSA-N -1 1 395.257 3.274 20 70 GGIDMM O=S(=O)(Cc1ccc(F)cc1)[N-]c1nc(SCc2ccccc2)n[nH]1 ZINC000160429092 565245248 /nfs/dbraw/zinc/24/52/48/565245248.db2.gz NEDXNVHBJCVHSE-UHFFFAOYSA-N -1 1 378.454 3.178 20 70 GGIDMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000160645875 565253964 /nfs/dbraw/zinc/25/39/64/565253964.db2.gz HEJCFFKCXIHYRE-UHFFFAOYSA-N -1 1 379.463 3.335 20 70 GGIDMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(F)c1Cl ZINC000160645111 565253986 /nfs/dbraw/zinc/25/39/86/565253986.db2.gz TXKUTRHCSPZMML-UHFFFAOYSA-N -1 1 392.815 3.224 20 70 GGIDMM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Br)cn1 ZINC000161109636 565274265 /nfs/dbraw/zinc/27/42/65/565274265.db2.gz WSRLVAVDCHGNKK-UHFFFAOYSA-N -1 1 378.679 3.428 20 70 GGIDMM COc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000161268250 565279095 /nfs/dbraw/zinc/27/90/95/565279095.db2.gz IALJEQSTRAEEIG-CHWSQXEVSA-N -1 1 380.491 3.179 20 70 GGIDMM COc1cccc(CN(C)C(=O)c2cc(I)ccc2[O-])c1 ZINC000217504505 565897352 /nfs/dbraw/zinc/89/73/52/565897352.db2.gz JVXQPFMYNQPLHU-UHFFFAOYSA-N -1 1 397.212 3.278 20 70 GGIDMM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)sc1Cl ZINC000159365945 565204023 /nfs/dbraw/zinc/20/40/23/565204023.db2.gz NONQACKFUMGKRA-VIFPVBQESA-N -1 1 378.306 3.007 20 70 GGIDMM O=S(=O)([N-][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)sc1Cl ZINC000159366111 565204396 /nfs/dbraw/zinc/20/43/96/565204396.db2.gz NONQACKFUMGKRA-SECBINFHSA-N -1 1 378.306 3.007 20 70 GGIDMM CC(C)(C)c1nsc([N-]c2cnn(-c3ccccc3S(C)(=O)=O)c2)n1 ZINC000159376288 565204451 /nfs/dbraw/zinc/20/44/51/565204451.db2.gz GNIUTKBTGDYSBA-UHFFFAOYSA-N -1 1 377.495 3.168 20 70 GGIDMM O=S(=O)([N-]Cc1ccncc1)c1c(Cl)cc(F)cc1Br ZINC000159510237 565208968 /nfs/dbraw/zinc/20/89/68/565208968.db2.gz BEYZYBGLKCUWMA-UHFFFAOYSA-N -1 1 379.638 3.115 20 70 GGIDMM O=S(=O)([N-]Cc1nccs1)c1c(Cl)cc(F)cc1Br ZINC000159950823 565225359 /nfs/dbraw/zinc/22/53/59/565225359.db2.gz PSMGJVJCLJIWKA-UHFFFAOYSA-N -1 1 385.667 3.177 20 70 GGIDMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000160254661 565237798 /nfs/dbraw/zinc/23/77/98/565237798.db2.gz GHBSPGCTKFMHKT-UHFFFAOYSA-N -1 1 397.305 3.055 20 70 GGIDMM COc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1NC(C)=O ZINC000160341885 565241838 /nfs/dbraw/zinc/24/18/38/565241838.db2.gz VRWSKMYEWWHUFG-UHFFFAOYSA-N -1 1 393.237 3.052 20 70 GGIDMM O=S(=O)(Cc1cccc(F)c1)[N-]c1nc(SCc2ccccc2)n[nH]1 ZINC000160422396 565244469 /nfs/dbraw/zinc/24/44/69/565244469.db2.gz GWFVQBQKMNBHQO-UHFFFAOYSA-N -1 1 378.454 3.178 20 70 GGIDMM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000160774175 565258966 /nfs/dbraw/zinc/25/89/66/565258966.db2.gz HWBBMGDLMKJPFS-CHWSQXEVSA-N -1 1 380.491 3.179 20 70 GGIDMM CCC(O)(CC)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160788967 565259320 /nfs/dbraw/zinc/25/93/20/565259320.db2.gz XROMKZWJYKGPQM-UHFFFAOYSA-N -1 1 388.686 3.071 20 70 GGIDMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(C)C ZINC000160853936 565261475 /nfs/dbraw/zinc/26/14/75/565261475.db2.gz IJZYZOYKPMEKMU-NSHDSACASA-N -1 1 388.686 3.191 20 70 GGIDMM Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 ZINC000160874405 565263399 /nfs/dbraw/zinc/26/33/99/565263399.db2.gz BLZDSEQRKPEILQ-UHFFFAOYSA-N -1 1 399.694 3.485 20 70 GGIDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1 ZINC000161054545 565271252 /nfs/dbraw/zinc/27/12/52/565271252.db2.gz YVZZXYDSNBZUFA-UHFFFAOYSA-N -1 1 385.482 3.124 20 70 GGIDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O ZINC000161051032 565271510 /nfs/dbraw/zinc/27/15/10/565271510.db2.gz PCTJEFPGOLGHIG-UHFFFAOYSA-N -1 1 391.873 3.133 20 70 GGIDMM CS[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000161192113 565276278 /nfs/dbraw/zinc/27/62/78/565276278.db2.gz VTKCBBNJCXXCMR-LURJTMIESA-N -1 1 376.700 3.271 20 70 GGIDMM COc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000161268112 565278855 /nfs/dbraw/zinc/27/88/55/565278855.db2.gz IALJEQSTRAEEIG-STQMWFEESA-N -1 1 380.491 3.179 20 70 GGIDMM CN(Cc1cccc(F)c1)C(=O)c1cc(I)ccc1[O-] ZINC000217510387 565897413 /nfs/dbraw/zinc/89/74/13/565897413.db2.gz UQTUZEGUMHQIFL-UHFFFAOYSA-N -1 1 385.176 3.408 20 70 GGIDMM CN1CCN(C(=O)c2cc(Br)ccc2[O-])[C@H](c2ccccc2)C1 ZINC000216835620 565897566 /nfs/dbraw/zinc/89/75/66/565897566.db2.gz SNNPRLQMLNBOPP-INIZCTEOSA-N -1 1 375.266 3.284 20 70 GGIDMM Cc1nnc(-c2ccc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2)o1 ZINC000160559112 570326345 /nfs/dbraw/zinc/32/63/45/570326345.db2.gz AIOZRSNLIWHHLJ-UHFFFAOYSA-N -1 1 391.427 3.486 20 70 GGIDMM O=S(=O)([N-]Cc1ccccc1CO)c1c(Cl)cccc1C(F)(F)F ZINC000159760571 565217496 /nfs/dbraw/zinc/21/74/96/565217496.db2.gz BRIWUGAWMRJXAW-UHFFFAOYSA-N -1 1 379.787 3.330 20 70 GGIDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCCO1 ZINC000159824932 565220206 /nfs/dbraw/zinc/22/02/06/565220206.db2.gz BELIHPOPZWLEAC-RDDDGLTNSA-N -1 1 386.670 3.087 20 70 GGIDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)c1 ZINC000159929263 565225519 /nfs/dbraw/zinc/22/55/19/565225519.db2.gz SJPLXGQJKCHSAL-UHFFFAOYSA-N -1 1 380.853 3.093 20 70 GGIDMM O=C([N-]O[C@@H]1CCCCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160196430 565235507 /nfs/dbraw/zinc/23/55/07/565235507.db2.gz OUFRLJVLZMWBNG-OAHLLOKOSA-N -1 1 395.257 3.274 20 70 GGIDMM COc1ccc(N(C)C(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1Cl ZINC000160234541 565237679 /nfs/dbraw/zinc/23/76/79/565237679.db2.gz QKRMJCOIHBJFDU-UHFFFAOYSA-N -1 1 381.885 3.058 20 70 GGIDMM CSC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160743911 565258222 /nfs/dbraw/zinc/25/82/22/565258222.db2.gz GAPLMRRGHVAIBQ-ZCFIWIBFSA-N -1 1 376.700 3.271 20 70 GGIDMM COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1[N-]S(C)(=O)=O ZINC000160774283 565259445 /nfs/dbraw/zinc/25/94/45/565259445.db2.gz HWBBMGDLMKJPFS-QWHCGFSZSA-N -1 1 380.491 3.179 20 70 GGIDMM CCc1ccc([C@@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000160803877 565260902 /nfs/dbraw/zinc/26/09/02/565260902.db2.gz RSTKXVXKBVCIFX-AWEZNQCLSA-N -1 1 382.507 3.168 20 70 GGIDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1[O-] ZINC000160869225 565262021 /nfs/dbraw/zinc/26/20/21/565262021.db2.gz VAGXCONHFZBPCY-UHFFFAOYSA-N -1 1 375.233 3.458 20 70 GGIDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000161056341 565271350 /nfs/dbraw/zinc/27/13/50/565271350.db2.gz LCXFYHLNVPLESR-GHMZBOCLSA-N -1 1 386.670 3.087 20 70 GGIDMM COc1cc(NC(=O)CCCc2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000161267845 565279181 /nfs/dbraw/zinc/27/91/81/565279181.db2.gz OESMFDSXOYOGAM-UHFFFAOYSA-N -1 1 382.507 3.398 20 70 GGIDMM CC(=O)c1cccc(NC(=O)c2cc(I)ccc2[O-])c1 ZINC000218100411 565898551 /nfs/dbraw/zinc/89/85/51/565898551.db2.gz LFVCXQLVPAFEEZ-UHFFFAOYSA-N -1 1 381.169 3.452 20 70 GGIDMM O=S(=O)([N-]Cc1ccccn1)c1c(Cl)cc(F)cc1Br ZINC000159485946 565207772 /nfs/dbraw/zinc/20/77/72/565207772.db2.gz YMKFWEJIVPWFJU-UHFFFAOYSA-N -1 1 379.638 3.115 20 70 GGIDMM O=S(=O)([N-]CCc1ccccn1)c1c(Cl)cc(F)cc1Br ZINC000159612352 565212378 /nfs/dbraw/zinc/21/23/78/565212378.db2.gz AHEPOVBIMVXRDS-UHFFFAOYSA-N -1 1 393.665 3.158 20 70 GGIDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000159900838 565222175 /nfs/dbraw/zinc/22/21/75/565222175.db2.gz VYZJMPATRBXCOC-SSDOTTSWSA-N -1 1 379.301 3.025 20 70 GGIDMM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000159925159 565224142 /nfs/dbraw/zinc/22/41/42/565224142.db2.gz KHHUNVDGYPGUAD-JTQLQIEISA-N -1 1 396.317 3.082 20 70 GGIDMM CCCCc1cc([N-]S(=O)(=O)c2cc(OC)ccc2Br)n[nH]1 ZINC000159948254 565224755 /nfs/dbraw/zinc/22/47/55/565224755.db2.gz QGYRIOKMVNUSSR-UHFFFAOYSA-N -1 1 388.287 3.324 20 70 GGIDMM COCCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160389067 565242897 /nfs/dbraw/zinc/24/28/97/565242897.db2.gz QDIUFHYJDNIIKE-UHFFFAOYSA-N -1 1 388.686 3.337 20 70 GGIDMM O=S(=O)([N-]CCc1nccs1)c1c(Cl)cc(F)cc1Br ZINC000160399783 565243989 /nfs/dbraw/zinc/24/39/89/565243989.db2.gz HJKXKGCHJCMACL-UHFFFAOYSA-N -1 1 399.694 3.219 20 70 GGIDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3sccc32)o1 ZINC000160409663 565244717 /nfs/dbraw/zinc/24/47/17/565244717.db2.gz UUWRMKHHROQMGO-LBPRGKRZSA-N -1 1 382.507 3.225 20 70 GGIDMM O=S(=O)([N-]C[C@H]1CCCS1)c1c(Cl)cc(F)cc1Br ZINC000161040076 565270006 /nfs/dbraw/zinc/27/00/06/565270006.db2.gz KADYNVWSEUCRGK-MRVPVSSYSA-N -1 1 388.711 3.416 20 70 GGIDMM O=S(=O)([N-]C[C@@H]1CCCS1)c1c(Cl)cc(F)cc1Br ZINC000161039967 565270391 /nfs/dbraw/zinc/27/03/91/565270391.db2.gz KADYNVWSEUCRGK-QMMMGPOBSA-N -1 1 388.711 3.416 20 70 GGIDMM CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCOCC1 ZINC000161203720 565276945 /nfs/dbraw/zinc/27/69/45/565276945.db2.gz KFTKEKOOZBMQIU-UHFFFAOYSA-N -1 1 386.670 3.089 20 70 GGIDMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000161459709 565285671 /nfs/dbraw/zinc/28/56/71/565285671.db2.gz KCKQKOAEAANOIE-UHFFFAOYSA-N -1 1 375.738 3.324 20 70 GGIDMM O=S(=O)([N-]CCc1cccnc1)c1c(Cl)cc(F)cc1Br ZINC000159781257 565218284 /nfs/dbraw/zinc/21/82/84/565218284.db2.gz ZFBVXIDLKVISIR-UHFFFAOYSA-N -1 1 393.665 3.158 20 70 GGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1CC ZINC000160093872 565230464 /nfs/dbraw/zinc/23/04/64/565230464.db2.gz HGJDVFHXQZVQOV-UHFFFAOYSA-N -1 1 381.519 3.157 20 70 GGIDMM CC(C)OCCS(=O)(=O)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000160300941 565240036 /nfs/dbraw/zinc/24/00/36/565240036.db2.gz OMMLLZVHMNQORA-UHFFFAOYSA-N -1 1 377.388 3.058 20 70 GGIDMM O=C(NCc1cccc2c1OCCCO2)c1ccc(Br)c([O-])c1 ZINC000160588559 565251388 /nfs/dbraw/zinc/25/13/88/565251388.db2.gz GAWNMMXZAJKBFX-UHFFFAOYSA-N -1 1 378.222 3.246 20 70 GGIDMM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000160639834 565254417 /nfs/dbraw/zinc/25/44/17/565254417.db2.gz DAWACLGJMDSPLZ-UHFFFAOYSA-N -1 1 388.287 3.413 20 70 GGIDMM Cc1nc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)sc1C ZINC000160627350 565254693 /nfs/dbraw/zinc/25/46/93/565254693.db2.gz TZGRCHFGQMMYMF-UHFFFAOYSA-N -1 1 396.310 3.190 20 70 GGIDMM CCc1ccc([C@H]([N-]S(=O)(=O)c2scnc2C(=O)OC)C(C)C)cc1 ZINC000160803808 565260936 /nfs/dbraw/zinc/26/09/36/565260936.db2.gz RSTKXVXKBVCIFX-CQSZACIVSA-N -1 1 382.507 3.168 20 70 GGIDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC000160867315 565261443 /nfs/dbraw/zinc/26/14/43/565261443.db2.gz GPEHRWWEWUDRQC-UHFFFAOYSA-N -1 1 375.233 3.458 20 70 GGIDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)s1 ZINC000160861946 565261982 /nfs/dbraw/zinc/26/19/82/565261982.db2.gz PTGTYVLRDYLIPW-UHFFFAOYSA-N -1 1 397.913 3.476 20 70 GGIDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O ZINC000161051158 565271029 /nfs/dbraw/zinc/27/10/29/565271029.db2.gz XQKGRMWWAPXTGM-UHFFFAOYSA-N -1 1 391.873 3.133 20 70 GGIDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1Cl ZINC000161047950 565271187 /nfs/dbraw/zinc/27/11/87/565271187.db2.gz UPTDOKMOCURQKE-UHFFFAOYSA-N -1 1 391.873 3.133 20 70 GGIDMM O=S(=O)([N-]Cc1ncccc1F)c1c(Cl)cc(F)cc1Br ZINC000161189715 565276873 /nfs/dbraw/zinc/27/68/73/565276873.db2.gz ZEZWQMRFDRETGY-UHFFFAOYSA-N -1 1 397.628 3.254 20 70 GGIDMM COc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000161268377 565278794 /nfs/dbraw/zinc/27/87/94/565278794.db2.gz IALJEQSTRAEEIG-QWHCGFSZSA-N -1 1 380.491 3.179 20 70 GGIDMM O=S(=O)([N-]CCSCCCO)c1c(Cl)cc(Cl)cc1Cl ZINC000161330239 565281792 /nfs/dbraw/zinc/28/17/92/565281792.db2.gz SOLVTNLCXMKSCO-UHFFFAOYSA-N -1 1 378.730 3.041 20 70 GGIDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cn2)n1 ZINC000217153589 565897407 /nfs/dbraw/zinc/89/74/07/565897407.db2.gz DVGAULWBELCOEU-UHFFFAOYSA-N -1 1 383.271 3.023 20 70 GGIDMM O=S(=O)([N-]Cc1cccnc1)c1c(Cl)cc(F)cc1Br ZINC000159580961 565211210 /nfs/dbraw/zinc/21/12/10/565211210.db2.gz ZUYCJMYDQLMROM-UHFFFAOYSA-N -1 1 379.638 3.115 20 70 GGIDMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)co1 ZINC000159712183 565214923 /nfs/dbraw/zinc/21/49/23/565214923.db2.gz SVUQOCAPDRLHRY-UHFFFAOYSA-N -1 1 382.869 3.040 20 70 GGIDMM Cc1csc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000159755492 565217646 /nfs/dbraw/zinc/21/76/46/565217646.db2.gz PJLFWKCNLMAUDX-UHFFFAOYSA-N -1 1 399.694 3.485 20 70 GGIDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000159900980 565222139 /nfs/dbraw/zinc/22/21/39/565222139.db2.gz VYZJMPATRBXCOC-ZETCQYMHSA-N -1 1 379.301 3.025 20 70 GGIDMM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000159925025 565224240 /nfs/dbraw/zinc/22/42/40/565224240.db2.gz KHHUNVDGYPGUAD-SNVBAGLBSA-N -1 1 396.317 3.082 20 70 GGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)[nH]n1 ZINC000159942861 565224689 /nfs/dbraw/zinc/22/46/89/565224689.db2.gz VMIOBONFZVVMHI-UHFFFAOYSA-N -1 1 388.287 3.324 20 70 GGIDMM CCOCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160017337 565227946 /nfs/dbraw/zinc/22/79/46/565227946.db2.gz WGYQXJYXFPCBOE-UHFFFAOYSA-N -1 1 388.686 3.337 20 70 GGIDMM O=C([N-]c1c(F)cccc1F)c1cc(Cn2cc(Br)cn2)on1 ZINC000160075651 565230489 /nfs/dbraw/zinc/23/04/89/565230489.db2.gz GCHBXSPNKCJSBM-UHFFFAOYSA-N -1 1 383.152 3.212 20 70 GGIDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160144511 565232912 /nfs/dbraw/zinc/23/29/12/565232912.db2.gz CTDIGQSFPJVYLK-UHFFFAOYSA-N -1 1 397.653 3.325 20 70 GGIDMM CCCCOCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160252908 565237286 /nfs/dbraw/zinc/23/72/86/565237286.db2.gz WAVRLNZCPIPMBP-UHFFFAOYSA-N -1 1 388.686 3.337 20 70 GGIDMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000160369043 565242689 /nfs/dbraw/zinc/24/26/89/565242689.db2.gz YAEUJJADHUCNRV-UHFFFAOYSA-N -1 1 389.658 3.002 20 70 GGIDMM O=C(c1ccc(Br)c([O-])c1)N1CCC(CN2CCCCC2=O)CC1 ZINC000160525321 565249574 /nfs/dbraw/zinc/24/95/74/565249574.db2.gz XFCUMBOIWVVTAB-UHFFFAOYSA-N -1 1 395.297 3.019 20 70 GGIDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1Br ZINC000160639961 565254099 /nfs/dbraw/zinc/25/40/99/565254099.db2.gz XKCOAPLTMMBCSN-UHFFFAOYSA-N -1 1 388.287 3.495 20 70 GGIDMM O=S(=O)([N-]Cc1ccc(O)cc1)c1c(Cl)cc(F)cc1Br ZINC000160771894 565259478 /nfs/dbraw/zinc/25/94/78/565259478.db2.gz MFZOFFRXTJNBJC-UHFFFAOYSA-N -1 1 394.649 3.426 20 70 GGIDMM O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC000160806323 565260600 /nfs/dbraw/zinc/26/06/00/565260600.db2.gz DJQNOZRSTRUGNS-UHFFFAOYSA-N -1 1 388.147 3.249 20 70 GGIDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(C)C ZINC000160853803 565262381 /nfs/dbraw/zinc/26/23/81/565262381.db2.gz IJZYZOYKPMEKMU-LLVKDONJSA-N -1 1 388.686 3.191 20 70 GGIDMM CSc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)cn1 ZINC000160905120 565264455 /nfs/dbraw/zinc/26/44/55/565264455.db2.gz OMAAQVQANPAJOE-UHFFFAOYSA-N -1 1 378.454 3.238 20 70 GGIDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1Br ZINC000160940620 565265583 /nfs/dbraw/zinc/26/55/83/565265583.db2.gz PBECFQHWQRJAJE-UHFFFAOYSA-N -1 1 387.255 3.052 20 70 GGIDMM COc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000161267992 565278830 /nfs/dbraw/zinc/27/88/30/565278830.db2.gz IALJEQSTRAEEIG-OLZOCXBDSA-N -1 1 380.491 3.179 20 70 GGIDMM