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)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899405 768876560 /nfs/dbraw/zinc/87/65/60/768876560.db2.gz QAYCGJKAUDBLLN-VIFPVBQESA-N -2 3 364.420 1.048 20 0 FDADHL C[C@](CCF)([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000656724595 777401182 /nfs/dbraw/zinc/40/11/82/777401182.db2.gz MZDSYFXMTNFHGW-GFCCVEGCSA-N -2 3 359.297 1.908 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000663293894 806346043 /nfs/dbraw/zinc/34/60/43/806346043.db2.gz MCUFBFKFBQLRHE-SNVBAGLBSA-N -2 3 371.381 1.861 20 0 FDADHL CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc([O-])ccc1Cl ZINC000909428732 819850701 /nfs/dbraw/zinc/85/07/01/819850701.db2.gz WRJQANRLLWJEIG-SNVBAGLBSA-N -2 3 354.790 1.441 20 0 FDADHL CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000909435663 819924473 /nfs/dbraw/zinc/92/44/73/819924473.db2.gz ZMDURWCKCVUWEV-CQSZACIVSA-N -2 3 370.405 1.941 20 0 FDADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000899935072 846906963 /nfs/dbraw/zinc/90/69/63/846906963.db2.gz OJZHCYDRVUYXPQ-LDWIPMOCSA-N -2 3 370.196 1.355 20 0 FDADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000899935655 846907744 /nfs/dbraw/zinc/90/77/44/846907744.db2.gz XHGQXXBKZDLORD-LDWIPMOCSA-N -2 3 370.196 1.355 20 0 FDADHL C[C@@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCO1 ZINC000906010385 852536654 /nfs/dbraw/zinc/53/66/54/852536654.db2.gz NZMTXSNITZDUQY-UHLUBPPHSA-N -2 3 353.318 1.405 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000906851279 853406154 /nfs/dbraw/zinc/40/61/54/853406154.db2.gz GGCBPCAVEJXICX-CQSZACIVSA-N -2 3 368.455 1.729 20 0 FDADHL C[S@](=O)C1(C(=O)[O-])CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000909823862 856590157 /nfs/dbraw/zinc/59/01/57/856590157.db2.gz MECXUBWYSLWIDJ-VWLOTQADSA-N -2 3 371.430 1.678 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCCC(=O)[O-])cc1OC ZINC000669496844 863809514 /nfs/dbraw/zinc/80/95/14/863809514.db2.gz ZVWCLWGSURNVGH-UHFFFAOYSA-N -2 3 373.431 1.833 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000785702088 931551348 /nfs/dbraw/zinc/55/13/48/931551348.db2.gz LQERRPSRRRYFLU-UHFFFAOYSA-N -2 3 374.758 1.291 20 0 FDADHL O=C([O-])[C@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000790617529 933643891 /nfs/dbraw/zinc/64/38/91/933643891.db2.gz SEPSUZCEDURFLP-LBPRGKRZSA-N -2 3 353.352 1.145 20 0 FDADHL CCc1ccc(C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)c([O-])c1 ZINC000807386249 940343845 /nfs/dbraw/zinc/34/38/45/940343845.db2.gz OATOTXCVFTWEBT-UHFFFAOYSA-N -2 3 350.396 1.821 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)OC4)ccc21 ZINC000808125474 940516920 /nfs/dbraw/zinc/51/69/20/940516920.db2.gz AJTKRBXMJIZCDO-UHFFFAOYSA-N -2 3 358.331 1.041 20 0 FDADHL COc1ncccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000811681774 941151407 /nfs/dbraw/zinc/15/14/07/941151407.db2.gz GXMZKWWSEHCAJX-UHFFFAOYSA-N -2 3 372.349 1.588 20 0 FDADHL C/C(=C/C(=O)OC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195250233 970793275 /nfs/dbraw/zinc/79/32/75/970793275.db2.gz XTNBCTAUIGYZFI-YWEYNIOJSA-N -2 3 363.338 1.797 20 0 FDADHL CCOC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195257781 970798542 /nfs/dbraw/zinc/79/85/42/970798542.db2.gz ICCIBVDHPUCODG-UHFFFAOYSA-N -2 3 365.354 1.531 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(F)cc1F ZINC001195269118 970804375 /nfs/dbraw/zinc/80/43/75/970804375.db2.gz VSQIELNQFDEAQY-NSHDSACASA-N -2 3 371.361 1.717 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c1 ZINC000818430521 943238502 /nfs/dbraw/zinc/23/85/02/943238502.db2.gz KENPLWYRTPIWPI-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000819090169 943416040 /nfs/dbraw/zinc/41/60/40/943416040.db2.gz SHNZESRJPSYFKS-XCBNKYQSSA-N -2 3 361.807 1.900 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C ZINC000821427307 945693583 /nfs/dbraw/zinc/69/35/83/945693583.db2.gz QXVHZCWUAWMQIE-UHFFFAOYSA-N -2 3 366.428 1.831 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822226408 946006089 /nfs/dbraw/zinc/00/60/89/946006089.db2.gz RAVRLPFTJILTFQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822226408 946006097 /nfs/dbraw/zinc/00/60/97/946006097.db2.gz RAVRLPFTJILTFQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]N=c1cc(Cl)[n-]c(C)n1 ZINC000844662822 948290547 /nfs/dbraw/zinc/29/05/47/948290547.db2.gz AVDHMGZDCYYVSS-SECBINFHSA-N -2 3 350.828 1.417 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000846003554 950317854 /nfs/dbraw/zinc/31/78/54/950317854.db2.gz YBPUNDXGLRITHS-UHFFFAOYSA-N -2 3 371.640 1.449 20 0 FDADHL CC1(C)C[C@H](NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C(C)(C)O1 ZINC001575641357 950917494 /nfs/dbraw/zinc/91/74/94/950917494.db2.gz OILVXVBXWPOOTG-NSHDSACASA-N -2 3 358.406 1.051 20 0 FDADHL C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CN1C(=O)c1ncccc1[O-] ZINC001571020504 951389432 /nfs/dbraw/zinc/38/94/32/951389432.db2.gz LEJHTPLOKDXHIU-JQWIXIFHSA-N -2 3 366.385 1.077 20 0 FDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846712903 951528586 /nfs/dbraw/zinc/52/85/86/951528586.db2.gz CQMWQTWBFVTPRW-LBPRGKRZSA-N -2 3 358.391 1.202 20 0 FDADHL COc1cccc(C(=O)N=c2[n-]cnn3c(Br)ccc23)c1[O-] ZINC001148197706 952628547 /nfs/dbraw/zinc/62/85/47/952628547.db2.gz YKHPQSMQRMUBLF-UHFFFAOYSA-N -2 3 363.171 1.880 20 0 FDADHL O=C(Nc1ccnn1-c1ccncc1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916679 952819931 /nfs/dbraw/zinc/81/99/31/952819931.db2.gz BQOIUYKFQJZLEZ-UHFFFAOYSA-N -2 3 360.351 1.472 20 0 FDADHL C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589391360 954323980 /nfs/dbraw/zinc/32/39/80/954323980.db2.gz FHIGEUUXMBZMJJ-KOLCDFICSA-N -2 3 374.846 1.894 20 0 FDADHL CC[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000844159544 955650884 /nfs/dbraw/zinc/65/08/84/955650884.db2.gz XCMWHCSAYZAFOC-SNVBAGLBSA-N -2 3 374.434 1.743 20 0 FDADHL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001594737226 957083699 /nfs/dbraw/zinc/08/36/99/957083699.db2.gz NWMPRFVVCMHARK-QGZVFWFLSA-N -2 3 354.362 1.333 20 0 FDADHL COc1cc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc(OC)c1[O-] ZINC001594051432 957996154 /nfs/dbraw/zinc/99/61/54/957996154.db2.gz PCOWGIQHXDBVNC-LASWEOPPSA-N -2 3 365.382 1.552 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC001594059507 958085219 /nfs/dbraw/zinc/08/52/19/958085219.db2.gz VCOSZRDEWYBUEJ-CYBMUJFWSA-N -2 3 371.361 1.948 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c(F)cc1F ZINC001594328936 958199817 /nfs/dbraw/zinc/19/98/17/958199817.db2.gz DMSZBMUCCBFNMC-ZDUSSCGKSA-N -2 3 356.350 1.642 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001594218258 959351077 /nfs/dbraw/zinc/35/10/77/959351077.db2.gz PGBOIVIKTRGECS-PRHODGIISA-N -2 3 360.819 1.789 20 0 FDADHL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001197871880 972505194 /nfs/dbraw/zinc/50/51/94/972505194.db2.gz ZNDJXAOXFAQZDN-UHFFFAOYSA-N -2 3 351.384 1.945 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001574247436 960489228 /nfs/dbraw/zinc/48/92/28/960489228.db2.gz AHXGLDNHZGWZCP-GFCCVEGCSA-N -2 3 360.819 1.791 20 0 FDADHL O=C([O-])[C@]1([N-]C(=O)C(F)(F)c2ccccc2Br)CCOC1 ZINC001574640345 962343251 /nfs/dbraw/zinc/34/32/51/962343251.db2.gz PWVSBJNUFVWXAE-LBPRGKRZSA-N -2 3 364.142 1.901 20 0 FDADHL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001185555636 963975469 /nfs/dbraw/zinc/97/54/69/963975469.db2.gz DXEJAQWCSXSSFB-UHFFFAOYSA-N -2 3 373.423 1.981 20 0 FDADHL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001185555636 963975470 /nfs/dbraw/zinc/97/54/70/963975470.db2.gz DXEJAQWCSXSSFB-UHFFFAOYSA-N -2 3 373.423 1.981 20 0 FDADHL O=S(=O)([N-]c1nccc2cnccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565616 963978706 /nfs/dbraw/zinc/97/87/06/963978706.db2.gz AGEYVFNHFZTGCC-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1nccc2cnccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565616 963978711 /nfs/dbraw/zinc/97/87/11/963978711.db2.gz AGEYVFNHFZTGCC-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001177866290 963982138 /nfs/dbraw/zinc/98/21/38/963982138.db2.gz JLTRCUZKBZGWLV-LLVKDONJSA-N -2 3 359.434 1.396 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185568760 963982254 /nfs/dbraw/zinc/98/22/54/963982254.db2.gz XYPWVKFXDJAZSD-UHFFFAOYSA-N -2 3 360.399 1.850 20 0 FDADHL NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1F ZINC001186193584 964342211 /nfs/dbraw/zinc/34/22/11/964342211.db2.gz RLTWBCBUJHHLCQ-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL CN(C)c1nc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001188279827 966183254 /nfs/dbraw/zinc/18/32/54/966183254.db2.gz QEBUSVFJATUEDT-UHFFFAOYSA-N -2 3 372.790 1.401 20 0 FDADHL COC(=O)CCS(=O)(=O)[N-]c1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001188389470 966258388 /nfs/dbraw/zinc/25/83/88/966258388.db2.gz WPUCTUCUGBNMOQ-UHFFFAOYSA-N -2 3 373.408 1.391 20 0 FDADHL Cc1cccc([O-])c1C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001188655751 966459149 /nfs/dbraw/zinc/45/91/49/966459149.db2.gz ZKCWRPKFAIMHTG-UHFFFAOYSA-N -2 3 362.407 1.571 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)(CC(=O)[O-])C(=O)[O-] ZINC000776585202 967145024 /nfs/dbraw/zinc/14/50/24/967145024.db2.gz TXINASZPMVOIJW-NSHDSACASA-N -3 3 371.198 1.232 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000776596607 967353530 /nfs/dbraw/zinc/35/35/30/967353530.db2.gz KOTWGXTZWYIXGY-ZIAGYGMSSA-N -2 3 373.789 1.944 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776613502 967471208 /nfs/dbraw/zinc/47/12/08/967471208.db2.gz FLVZAJHJVBGXGL-IUCAKERBSA-N -2 3 357.215 1.281 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)s1 ZINC000776606055 967486637 /nfs/dbraw/zinc/48/66/37/967486637.db2.gz YZLLNXCOJUZIQO-QWHCGFSZSA-N -2 3 356.425 1.171 20 0 FDADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776622127 967607092 /nfs/dbraw/zinc/60/70/92/967607092.db2.gz IJAYJSQWJFLTNF-QMMMGPOBSA-N -2 3 374.827 1.801 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000776627950 967700358 /nfs/dbraw/zinc/70/03/58/967700358.db2.gz YTBQHQHRXBWVPO-YMTOWFKASA-N -2 3 363.867 1.941 20 0 FDADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)(F)F ZINC000853071343 967806287 /nfs/dbraw/zinc/80/62/87/967806287.db2.gz INZREQJPJUOGKE-SSDOTTSWSA-N -2 3 367.305 1.544 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(=O)[n-]c(OC)n1 ZINC001190545305 967943035 /nfs/dbraw/zinc/94/30/35/967943035.db2.gz XXGDEUHPLIIJJK-UHFFFAOYSA-N -2 3 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Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826321312 607633921 /nfs/dbraw/zinc/63/39/21/607633921.db2.gz AHOJODVZQTVZDE-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828579697 603532274 /nfs/dbraw/zinc/53/22/74/603532274.db2.gz PEVHOLGVBJUPKC-GXSJLCMTSA-N -2 3 373.431 1.004 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000827343119 603625181 /nfs/dbraw/zinc/62/51/81/603625181.db2.gz KAIUZNHPSUYSFC-GFCCVEGCSA-N -2 3 366.370 1.666 20 0 FDADHL C[C@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000825185821 603885932 /nfs/dbraw/zinc/88/59/32/603885932.db2.gz JJEXTWXEIBHHSE-YFKPBYRVSA-N -2 3 350.112 1.591 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(=O)[n-]1 ZINC000830716438 604167561 /nfs/dbraw/zinc/16/75/61/604167561.db2.gz RRFBDCFKVGNWFM-ZWNOBZJWSA-N -2 3 350.419 1.626 20 0 FDADHL CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CCC(NC(=O)[O-])CC1 ZINC000827808991 604239316 /nfs/dbraw/zinc/23/93/16/604239316.db2.gz BEAMDKCMXARSMJ-UHFFFAOYSA-N -2 3 360.370 1.613 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(C)o1 ZINC000828578846 604260951 /nfs/dbraw/zinc/26/09/51/604260951.db2.gz FECUDBRUIOWFLW-MWLCHTKSSA-N -2 3 373.431 1.004 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)nc1Cl ZINC000833053925 604407937 /nfs/dbraw/zinc/40/79/37/604407937.db2.gz OJRRCQXXCOGTTP-SNVBAGLBSA-N -2 3 361.782 1.707 20 0 FDADHL Cc1nc(C)c(CC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(=O)[n-]1 ZINC000830715598 604448648 /nfs/dbraw/zinc/44/86/48/604448648.db2.gz GVLRKEUXRKDVAH-SNVBAGLBSA-N -2 3 358.398 1.987 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc(NC(=O)[O-])c2)c(C)o1 ZINC000828586779 604659432 /nfs/dbraw/zinc/65/94/32/604659432.db2.gz WMLQCEWKKSDOPR-UHFFFAOYSA-N -2 3 354.340 1.805 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000833698785 604707031 /nfs/dbraw/zinc/70/70/31/604707031.db2.gz WEVRRKLKFRHWRQ-UKRRQHHQSA-N -2 3 350.396 1.702 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833426085 604710230 /nfs/dbraw/zinc/71/02/30/604710230.db2.gz MWUMARWMJGGLQH-ZDUSSCGKSA-N -2 3 371.411 1.075 20 0 FDADHL O=C([O-])NC1(C(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000832175572 604766060 /nfs/dbraw/zinc/76/60/60/604766060.db2.gz GUGLZKYLPSEFTP-UHFFFAOYSA-N -2 3 362.123 1.736 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c[nH]c2=O)c1 ZINC000833716235 604803978 /nfs/dbraw/zinc/80/39/78/604803978.db2.gz WYKPWJJDKXPMIH-UHFFFAOYSA-N -2 3 370.314 1.212 20 0 FDADHL CCOc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)ccc1OCC(=O)[O-] ZINC000833661658 605008322 /nfs/dbraw/zinc/00/83/22/605008322.db2.gz ULWYFGHWTRCBRT-UHFFFAOYSA-N -2 3 373.365 1.243 20 0 FDADHL CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833648152 605177086 /nfs/dbraw/zinc/17/70/86/605177086.db2.gz HBBWZDYTNIJMMD-RYUDHWBXSA-N -2 3 372.443 1.539 20 0 FDADHL O=C([O-])N[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832376014 605191555 /nfs/dbraw/zinc/19/15/55/605191555.db2.gz PVNZDTJALVQEDW-VIFPVBQESA-N -2 3 358.192 1.706 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])c([O-])c1 ZINC000827342719 605310960 /nfs/dbraw/zinc/31/09/60/605310960.db2.gz DBCPHRHZTGSNRT-NSHDSACASA-N -2 3 368.411 1.993 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000829691784 605416985 /nfs/dbraw/zinc/41/69/85/605416985.db2.gz RICHHHHEFNGYBP-SNVBAGLBSA-N -2 3 373.456 1.482 20 0 FDADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000834152102 605807137 /nfs/dbraw/zinc/80/71/37/605807137.db2.gz YLYSFBOTLBAVFY-VIFPVBQESA-N -2 3 354.215 1.713 20 0 FDADHL O=C([O-])Nc1cccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000834266714 605827554 /nfs/dbraw/zinc/82/75/54/605827554.db2.gz HLCMETIWZSVMGG-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL O=C([O-])Nc1cccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000834266714 605827555 /nfs/dbraw/zinc/82/75/55/605827555.db2.gz HLCMETIWZSVMGG-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL O=C([O-])N[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1cccc(Cl)c1 ZINC000834119170 605840191 /nfs/dbraw/zinc/84/01/91/605840191.db2.gz AICLZPAZCRHYNQ-ZDUSSCGKSA-N -2 3 362.773 1.729 20 0 FDADHL COc1cc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])cc(OC)c1[O-] ZINC000833885916 605935987 /nfs/dbraw/zinc/93/59/87/605935987.db2.gz PJJBOMXVEHIWHH-PWSUYJOCSA-N -2 3 352.387 1.966 20 0 FDADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1n[n-]c(SCCO)n1)C2 ZINC000833987638 605952123 /nfs/dbraw/zinc/95/21/23/605952123.db2.gz LARQHRHPQFBGHX-PBINXNQUSA-N -2 3 355.420 1.139 20 0 FDADHL O=C([O-])Nc1ccccc1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000834274247 606061157 /nfs/dbraw/zinc/06/11/57/606061157.db2.gz KCLKHJFTMBKAIG-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL O=C([O-])Nc1ccccc1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000834274247 606061161 /nfs/dbraw/zinc/06/11/61/606061161.db2.gz KCLKHJFTMBKAIG-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)[N-]C(=O)c1ccccc1 ZINC000823026692 606136538 /nfs/dbraw/zinc/13/65/38/606136538.db2.gz AUHVLHNLSPNSLF-UHFFFAOYSA-N -2 3 357.351 1.042 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCCC2 ZINC000822222630 606156906 /nfs/dbraw/zinc/15/69/06/606156906.db2.gz OLCSQELQBVZNDF-GFCCVEGCSA-N -2 3 361.427 1.560 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCCC2 ZINC000822222630 606156907 /nfs/dbraw/zinc/15/69/07/606156907.db2.gz OLCSQELQBVZNDF-GFCCVEGCSA-N -2 3 361.427 1.560 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820944393 606178645 /nfs/dbraw/zinc/17/86/45/606178645.db2.gz LZNGCBGNOWNWRL-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820944393 606178647 /nfs/dbraw/zinc/17/86/47/606178647.db2.gz LZNGCBGNOWNWRL-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000822222671 606205638 /nfs/dbraw/zinc/20/56/38/606205638.db2.gz PNHHGWMJQLDAJD-IMRBUKKESA-N -2 3 361.427 1.416 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000822222671 606205639 /nfs/dbraw/zinc/20/56/39/606205639.db2.gz PNHHGWMJQLDAJD-IMRBUKKESA-N -2 3 361.427 1.416 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000821766039 606210694 /nfs/dbraw/zinc/21/06/94/606210694.db2.gz QAQCQBIUDLZSCL-UHFFFAOYSA-N -2 3 366.428 1.749 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1c[nH]c2ncccc12 ZINC000823582961 606338296 /nfs/dbraw/zinc/33/82/96/606338296.db2.gz DZSYZADSKDETHN-UHFFFAOYSA-N -2 3 357.355 1.249 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823589137 606396278 /nfs/dbraw/zinc/39/62/78/606396278.db2.gz PCECPZIBJJXLAV-UHFFFAOYSA-N -2 3 373.320 1.268 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823589137 606396280 /nfs/dbraw/zinc/39/62/80/606396280.db2.gz PCECPZIBJJXLAV-UHFFFAOYSA-N -2 3 373.320 1.268 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284128 606460452 /nfs/dbraw/zinc/46/04/52/606460452.db2.gz DFPQXKUSUIRQNP-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284128 606460453 /nfs/dbraw/zinc/46/04/53/606460453.db2.gz DFPQXKUSUIRQNP-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000822620627 606711047 /nfs/dbraw/zinc/71/10/47/606711047.db2.gz ZMDHHOUMDCIOIV-UHFFFAOYSA-N -2 3 357.399 1.329 20 0 FDADHL CCO[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821350922 606758374 /nfs/dbraw/zinc/75/83/74/606758374.db2.gz GPLMSZYNMMJLCQ-CYBMUJFWSA-N -2 3 367.431 1.123 20 0 FDADHL CCO[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821350922 606758375 /nfs/dbraw/zinc/75/83/75/606758375.db2.gz GPLMSZYNMMJLCQ-CYBMUJFWSA-N -2 3 367.431 1.123 20 0 FDADHL O=S(=O)([N-]c1ccccc1O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589110 606865374 /nfs/dbraw/zinc/86/53/74/606865374.db2.gz NRTMSHZFGVTPED-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1ccccc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589110 606865376 /nfs/dbraw/zinc/86/53/76/606865376.db2.gz NRTMSHZFGVTPED-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577849 606883371 /nfs/dbraw/zinc/88/33/71/606883371.db2.gz BKSPRFUCFYIOHU-UHFFFAOYSA-N -2 3 351.338 1.623 20 0 FDADHL O=C([O-])Cn1c(C=Cc2ccc(-c3nn[n-]n3)cc2)nc2ccccc2c1=O ZINC000823387033 606978096 /nfs/dbraw/zinc/97/80/96/606978096.db2.gz BHWJIEGWTSZTKX-YFHOEESVSA-N -2 3 374.360 1.832 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(F)cc1F ZINC000822211719 607026166 /nfs/dbraw/zinc/02/61/66/607026166.db2.gz LXVWWNZJZIWHDV-UHFFFAOYSA-N -2 3 358.355 1.711 20 0 FDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1F ZINC000823588969 607026302 /nfs/dbraw/zinc/02/63/02/607026302.db2.gz FWTLJZXHJGNYKX-UHFFFAOYSA-N -2 3 360.783 1.917 20 0 FDADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821671015 607155578 /nfs/dbraw/zinc/15/55/78/607155578.db2.gz CSARXYDHOFYCCG-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821671015 607155580 /nfs/dbraw/zinc/15/55/80/607155580.db2.gz CSARXYDHOFYCCG-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1Cl ZINC000826292987 607778596 /nfs/dbraw/zinc/77/85/96/607778596.db2.gz WGMRHKMPFQWKNP-UHFFFAOYSA-N -2 3 366.790 1.275 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1Cl ZINC000826292987 607778597 /nfs/dbraw/zinc/77/85/97/607778597.db2.gz WGMRHKMPFQWKNP-UHFFFAOYSA-N -2 3 366.790 1.275 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826232134 608141091 /nfs/dbraw/zinc/14/10/91/608141091.db2.gz QWMOMSMCKPVYJL-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826232134 608141092 /nfs/dbraw/zinc/14/10/92/608141092.db2.gz QWMOMSMCKPVYJL-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826262078 608669575 /nfs/dbraw/zinc/66/95/75/608669575.db2.gz DKHSDXOMHAWBPT-UHFFFAOYSA-N -2 3 358.309 1.705 20 0 FDADHL Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826262078 608669576 /nfs/dbraw/zinc/66/95/76/608669576.db2.gz DKHSDXOMHAWBPT-UHFFFAOYSA-N -2 3 358.309 1.705 20 0 FDADHL CC(=O)c1ccc([O-])c(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824024439 609350401 /nfs/dbraw/zinc/35/04/01/609350401.db2.gz FETQLIBZGKCFHK-UHFFFAOYSA-N -2 3 353.338 1.792 20 0 FDADHL O=C([N-]N1Cc2ccccc2C1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826444320 609427796 /nfs/dbraw/zinc/42/77/96/609427796.db2.gz AYASXBPUOHYSFL-UHFFFAOYSA-N -2 3 356.292 1.446 20 0 FDADHL O=S(=O)([N-]c1ncn(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493343 609460189 /nfs/dbraw/zinc/46/01/89/609460189.db2.gz GKMSHEDPYQXDCW-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 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FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000547550128 542370188 /nfs/dbraw/zinc/37/01/88/542370188.db2.gz LGSVKUBVAMDOJD-LBPRGKRZSA-N -2 3 371.846 1.778 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 ZINC000547550498 542370609 /nfs/dbraw/zinc/37/06/09/542370609.db2.gz KDCZQWKDNXYYNH-XCBNKYQSSA-N -2 3 354.211 1.761 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])cnc2c1Cl ZINC000547562194 542375921 /nfs/dbraw/zinc/37/59/21/542375921.db2.gz GUOZLIVXJUDRBQ-JTQLQIEISA-N -2 3 374.850 1.859 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000547562813 542375981 /nfs/dbraw/zinc/37/59/81/542375981.db2.gz ROUWFQFBGVWBFD-NSHDSACASA-N -2 3 359.400 1.870 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547554082 542372125 /nfs/dbraw/zinc/37/21/25/542372125.db2.gz WKPSZCCEABODIK-WDEREUQCSA-N -2 3 358.372 1.061 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cn1C ZINC000547595406 542386261 /nfs/dbraw/zinc/38/62/61/542386261.db2.gz KPVZOTVLGNPVGQ-BGCMAFRMSA-N -2 3 367.471 1.676 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c(Cl)cc1F ZINC000547595847 542386279 /nfs/dbraw/zinc/38/62/79/542386279.db2.gz OXEMWRZNUFIGQS-VIFPVBQESA-N -3 3 353.755 1.384 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)oc1C ZINC000547869235 542469652 /nfs/dbraw/zinc/46/96/52/542469652.db2.gz ZWVJJCIJJJQULS-LLVKDONJSA-N -2 3 359.381 1.540 20 0 FDADHL O=C([O-])[C@@H](Cc1c[nH]c2ncccc12)[N-]S(=O)(=O)c1ccccc1F ZINC000547870249 542470559 /nfs/dbraw/zinc/47/05/59/542470559.db2.gz LFRNXHGALXRGMV-CYBMUJFWSA-N -2 3 363.370 1.676 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)oc1C ZINC000547872982 542471280 /nfs/dbraw/zinc/47/12/80/542471280.db2.gz OTUHQTTZNSDXEM-ZDUSSCGKSA-N -2 3 353.352 1.479 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2OC)s1 ZINC000547873501 542472002 /nfs/dbraw/zinc/47/20/02/542472002.db2.gz LKTLHLGMVRWAKT-ZDUSSCGKSA-N -2 3 356.425 1.818 20 0 FDADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000547876247 542472532 /nfs/dbraw/zinc/47/25/32/542472532.db2.gz YBWKBFPIFKSJHW-CYBMUJFWSA-N -2 3 356.787 1.415 20 0 FDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000547879360 542474009 /nfs/dbraw/zinc/47/40/09/542474009.db2.gz BBCRNEULHGDWFP-NSHDSACASA-N -2 3 361.782 1.416 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547885786 542476833 /nfs/dbraw/zinc/47/68/33/542476833.db2.gz WHMIGRYMOGVODB-MRVPVSSYSA-N -2 3 372.624 1.480 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c(C)o1 ZINC000547888807 542478097 /nfs/dbraw/zinc/47/80/97/542478097.db2.gz LNXHAHOOYRBHAH-QLJPJBMISA-N -2 3 373.427 1.934 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c1 ZINC000547901726 542482215 /nfs/dbraw/zinc/48/22/15/542482215.db2.gz HKGRPPZRUNWGPT-LBPRGKRZSA-N -2 3 359.787 1.916 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000547911932 542485507 /nfs/dbraw/zinc/48/55/07/542485507.db2.gz ZWYDNVOJWFLUIE-YPMHNXCESA-N -2 3 359.375 1.997 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000547924697 542489746 /nfs/dbraw/zinc/48/97/46/542489746.db2.gz JAWQMGZSFMXUFX-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]CC3(CC(=O)[O-])CCC3)cnc2c1Cl ZINC000547933995 542492432 /nfs/dbraw/zinc/49/24/32/542492432.db2.gz XQMYYAIFOTXYIY-UHFFFAOYSA-N -2 3 372.834 1.614 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000547937371 542493471 /nfs/dbraw/zinc/49/34/71/542493471.db2.gz CTQACUOEPSQZSE-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000548197851 542581372 /nfs/dbraw/zinc/58/13/72/542581372.db2.gz SPYLVSGPFTUKSH-GXFFZTMASA-N -2 3 359.375 1.997 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c1 ZINC000548198836 542581958 /nfs/dbraw/zinc/58/19/58/542581958.db2.gz ZSJUBBGIRBDICY-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-] ZINC000548200602 542582956 /nfs/dbraw/zinc/58/29/56/542582956.db2.gz RUEYBNUZUSEJFB-MRVPVSSYSA-N -2 3 365.429 1.113 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000548207650 542586142 /nfs/dbraw/zinc/58/61/42/542586142.db2.gz MOAQTIUXJWCSBL-AAEUAGOBSA-N -2 3 368.436 1.578 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548227586 542592702 /nfs/dbraw/zinc/59/27/02/542592702.db2.gz RVGJDIYTSANPIF-LURJTMIESA-N -3 3 373.280 1.298 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(C)o1 ZINC000548215774 542588737 /nfs/dbraw/zinc/58/87/37/542588737.db2.gz SAEDCVABTVKRKM-WFASDCNBSA-N -2 3 359.400 1.686 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000548215033 542588769 /nfs/dbraw/zinc/58/87/69/542588769.db2.gz DFDHTFUPFXOWKV-RNCFNFMXSA-N -2 3 362.429 1.242 20 0 FDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000548219094 542590147 /nfs/dbraw/zinc/59/01/47/542590147.db2.gz IJFDWKRLERZZLH-NSHDSACASA-N -2 3 361.782 1.416 20 0 FDADHL C[C@](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548261873 542603686 /nfs/dbraw/zinc/60/36/86/542603686.db2.gz GNXQNDQPJZJBCR-GFCCVEGCSA-N -3 3 353.755 1.323 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1F ZINC000548527588 542690872 /nfs/dbraw/zinc/69/08/72/542690872.db2.gz OLIFEPSIGVBZPP-GFCCVEGCSA-N -2 3 367.383 1.935 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548542189 542697097 /nfs/dbraw/zinc/69/70/97/542697097.db2.gz JKNQTABTJKZRCR-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000548544576 542697572 /nfs/dbraw/zinc/69/75/72/542697572.db2.gz VQGZPSLCYGERBQ-CYBMUJFWSA-N -2 3 358.778 1.848 20 0 FDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548551957 542699938 /nfs/dbraw/zinc/69/99/38/542699938.db2.gz MGVHPNWUFPQIFE-ZDUSSCGKSA-N -2 3 362.791 1.554 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000548567203 542705167 /nfs/dbraw/zinc/70/51/67/542705167.db2.gz CATJKCHSONRAGL-LLVKDONJSA-N -2 3 373.383 1.778 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])oc1C ZINC000548589193 542712091 /nfs/dbraw/zinc/71/20/91/542712091.db2.gz GNBZUFRZUSLDPK-UHFFFAOYSA-N -2 3 367.379 1.594 20 0 FDADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548770105 542775523 /nfs/dbraw/zinc/77/55/23/542775523.db2.gz RMBPBYJRDTYVEV-OIBJUYFYSA-N -2 3 352.334 1.878 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)oc1C ZINC000548837599 542788646 /nfs/dbraw/zinc/78/86/46/542788646.db2.gz FEUKQBIVXOSJKQ-PSLIRLAXSA-N -2 3 359.400 1.686 20 0 FDADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1F ZINC000549520292 542894781 /nfs/dbraw/zinc/89/47/81/542894781.db2.gz NQEVGHURTCOVCR-HIFRSBDPSA-N -2 3 359.419 1.889 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000551616334 543311476 /nfs/dbraw/zinc/31/14/76/543311476.db2.gz CYFUNMAVJPXNQU-UHFFFAOYSA-N -2 3 353.400 1.907 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000554785063 543871158 /nfs/dbraw/zinc/87/11/58/543871158.db2.gz AQIPCPCLFBSPER-ZCFIWIBFSA-N -2 3 357.356 1.169 20 0 FDADHL CN(C)c1nc(C(=O)Nc2ccc(Br)cc2[O-])cc(=O)[n-]1 ZINC000555234919 543930135 /nfs/dbraw/zinc/93/01/35/543930135.db2.gz SXPOUSYZNZGIKB-UHFFFAOYSA-N -2 3 353.176 1.969 20 0 FDADHL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000555291233 543937945 /nfs/dbraw/zinc/93/79/45/543937945.db2.gz IILBWQVYDIFVHD-HNNXBMFYSA-N -2 3 365.345 1.614 20 0 FDADHL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000436480104 450585468 /nfs/dbraw/zinc/58/54/68/450585468.db2.gz YWKDRHBWXKBSMY-UHFFFAOYSA-N -3 3 367.774 1.528 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)nc1 ZINC000069674922 521930741 /nfs/dbraw/zinc/93/07/41/521930741.db2.gz RSESPTMIBPFBDX-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL CCCC[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044243000 521931034 /nfs/dbraw/zinc/93/10/34/521931034.db2.gz MHESAMLCVYVYLA-JTQLQIEISA-N -2 3 351.222 1.766 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000058497138 522267997 /nfs/dbraw/zinc/26/79/97/522267997.db2.gz RMGJIBHEKFVWFH-UHFFFAOYSA-N -2 3 362.363 1.443 20 0 FDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383562 523316274 /nfs/dbraw/zinc/31/62/74/523316274.db2.gz ARPUUGZUATXILL-VHSXEESVSA-N -2 3 352.453 1.910 20 0 FDADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068216148 523730543 /nfs/dbraw/zinc/73/05/43/523730543.db2.gz SZDDAEOIOHWWGA-UHFFFAOYSA-N -2 3 373.390 1.720 20 0 FDADHL Cn1ccnc1-c1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n[n-]1 ZINC000119401093 525732103 /nfs/dbraw/zinc/73/21/03/525732103.db2.gz VSJKENYHJLVVJW-UHFFFAOYSA-N -2 3 367.394 1.588 20 0 FDADHL Cn1ccnc1-c1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[n-]n1 ZINC000119401093 525732107 /nfs/dbraw/zinc/73/21/07/525732107.db2.gz VSJKENYHJLVVJW-UHFFFAOYSA-N -2 3 367.394 1.588 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)[C@H](C)C(=O)[O-] ZINC000133153479 526027903 /nfs/dbraw/zinc/02/79/03/526027903.db2.gz FCISSTJZSJITPA-BQBZGAKWSA-N -2 3 354.197 1.976 20 0 FDADHL CC1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CC1 ZINC000184916237 536190989 /nfs/dbraw/zinc/19/09/89/536190989.db2.gz OBNGSNCDADYYJZ-UHFFFAOYSA-N -2 3 362.398 1.673 20 0 FDADHL CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000262825817 536912711 /nfs/dbraw/zinc/91/27/11/536912711.db2.gz BWRJBTJJLMSUSQ-SFHVURJKSA-N -2 3 361.398 1.086 20 0 FDADHL C[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC000263074589 536970054 /nfs/dbraw/zinc/97/00/54/536970054.db2.gz RQEQTNYELVOABP-RNCFNFMXSA-N -2 3 358.391 1.523 20 0 FDADHL CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)CC(=O)[O-])cc(C(C)C)nc21 ZINC000263152285 536983882 /nfs/dbraw/zinc/98/38/82/536983882.db2.gz XCALZNKCQAHBSK-UHFFFAOYSA-N -2 3 362.386 1.187 20 0 FDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000263368731 537023010 /nfs/dbraw/zinc/02/30/10/537023010.db2.gz UQFVGAQJXRZTNK-GXSJLCMTSA-N -2 3 358.391 1.380 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000248849734 537216413 /nfs/dbraw/zinc/21/64/13/537216413.db2.gz AMBKHRUWYMAMOM-NWDGAFQWSA-N -2 3 358.435 1.923 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)cc(F)c1F ZINC000270413347 537324719 /nfs/dbraw/zinc/32/47/19/537324719.db2.gz CTFCUYUJRNHOLM-NSHDSACASA-N -2 3 351.327 1.139 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000216272034 537448803 /nfs/dbraw/zinc/44/88/03/537448803.db2.gz QMURPINHBJLKJI-MRVPVSSYSA-N -2 3 356.183 1.288 20 0 FDADHL 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CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000630284877 557895047 /nfs/dbraw/zinc/89/50/47/557895047.db2.gz YOEQPKXOTNWJMB-ILXRZTDVSA-N -2 3 366.439 1.774 20 0 FDADHL C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000271922339 674396257 /nfs/dbraw/zinc/39/62/57/674396257.db2.gz ABEHPFUYEWNVLA-JTQLQIEISA-N -2 3 374.434 1.886 20 0 FDADHL O=S(=O)([N-]c1ccc(F)cn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738341000 598891770 /nfs/dbraw/zinc/89/17/70/598891770.db2.gz BMQMUIOHEGDBOS-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C ZINC000737297560 598976222 /nfs/dbraw/zinc/97/62/22/598976222.db2.gz BSBXHGZUASRWOQ-LLVKDONJSA-N -2 3 367.431 1.041 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C ZINC000737297560 598976224 /nfs/dbraw/zinc/97/62/24/598976224.db2.gz BSBXHGZUASRWOQ-LLVKDONJSA-N -2 3 367.431 1.041 20 0 FDADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000821719684 599231547 /nfs/dbraw/zinc/23/15/47/599231547.db2.gz HPKLJIAKOFMIOI-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000821719684 599231549 /nfs/dbraw/zinc/23/15/49/599231549.db2.gz HPKLJIAKOFMIOI-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL O=C([O-])[C@H]1CC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)=NN1c1ccccc1 ZINC000740477314 596966231 /nfs/dbraw/zinc/96/62/31/596966231.db2.gz CTQGJIGMAQDDRC-SECBINFHSA-N -2 3 368.275 1.482 20 0 FDADHL O=C([O-])[C@H]1CC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)=NN1c1ccccc1 ZINC000740477314 596966234 /nfs/dbraw/zinc/96/62/34/596966234.db2.gz CTQGJIGMAQDDRC-SECBINFHSA-N -2 3 368.275 1.482 20 0 FDADHL O=C([O-])CCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000773231437 598168216 /nfs/dbraw/zinc/16/82/16/598168216.db2.gz BSEDYJDTBARNPL-UHFFFAOYSA-N -2 3 354.837 1.051 20 0 FDADHL O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344750 598264736 /nfs/dbraw/zinc/26/47/36/598264736.db2.gz HIJFBKQKLBERAS-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344750 598264737 /nfs/dbraw/zinc/26/47/37/598264737.db2.gz HIJFBKQKLBERAS-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=C(c1ncccc1[O-])N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738292708 598285961 /nfs/dbraw/zinc/28/59/61/598285961.db2.gz OEGGHGIFYOURGF-UHFFFAOYSA-N -2 3 365.397 1.320 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346312 598382210 /nfs/dbraw/zinc/38/22/10/598382210.db2.gz YZDGRKNKYAJKTL-UHFFFAOYSA-N -2 3 370.354 1.113 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346312 598382211 /nfs/dbraw/zinc/38/22/11/598382211.db2.gz YZDGRKNKYAJKTL-UHFFFAOYSA-N -2 3 370.354 1.113 20 0 FDADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738339398 598438574 /nfs/dbraw/zinc/43/85/74/598438574.db2.gz MPMDSUCRWOGCOF-UHFFFAOYSA-N -2 3 359.415 1.979 20 0 FDADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738339398 598438576 /nfs/dbraw/zinc/43/85/76/598438576.db2.gz MPMDSUCRWOGCOF-UHFFFAOYSA-N -2 3 359.415 1.979 20 0 FDADHL COc1ccccc1S([O-])=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737155069 598492680 /nfs/dbraw/zinc/49/26/80/598492680.db2.gz CVRIOTCLOZVXJO-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737117487 598637647 /nfs/dbraw/zinc/63/76/47/598637647.db2.gz WWGIQHJOECALTQ-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737165708 598727422 /nfs/dbraw/zinc/72/74/22/598727422.db2.gz LZWVTPQQHACHGO-UHFFFAOYSA-N -2 3 359.367 1.348 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737165708 598727425 /nfs/dbraw/zinc/72/74/25/598727425.db2.gz LZWVTPQQHACHGO-UHFFFAOYSA-N -2 3 359.367 1.348 20 0 FDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737825374 598734656 /nfs/dbraw/zinc/73/46/56/598734656.db2.gz YUEFQLCZDFBEQQ-GFCCVEGCSA-N -2 3 365.415 1.021 20 0 FDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737825374 598734658 /nfs/dbraw/zinc/73/46/58/598734658.db2.gz YUEFQLCZDFBEQQ-GFCCVEGCSA-N -2 3 365.415 1.021 20 0 FDADHL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735819764 598739400 /nfs/dbraw/zinc/73/94/00/598739400.db2.gz KSVONLFECBDNGH-LLVKDONJSA-N -2 3 367.431 1.126 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc21 ZINC000738139840 598799836 /nfs/dbraw/zinc/79/98/36/598799836.db2.gz QUMMIVDVISXUQJ-HNNXBMFYSA-N -2 3 369.406 1.402 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738139840 598799837 /nfs/dbraw/zinc/79/98/37/598799837.db2.gz QUMMIVDVISXUQJ-HNNXBMFYSA-N -2 3 369.406 1.402 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736346345 598801671 /nfs/dbraw/zinc/80/16/71/598801671.db2.gz YTDZMCNUEVWWNJ-KTKRTIGZSA-N -2 3 363.443 1.762 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736346345 598801672 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FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)o1 ZINC000740175802 599773752 /nfs/dbraw/zinc/77/37/52/599773752.db2.gz ZSLTWLCPIJYZQT-GFCCVEGCSA-N -2 3 350.396 1.783 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nc(C2CC2)no1 ZINC000515379631 599775248 /nfs/dbraw/zinc/77/52/48/599775248.db2.gz JMZDSDNZYOSINZ-LBPRGKRZSA-N -2 3 372.447 1.275 20 0 FDADHL CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCCC1 ZINC000737030215 599777980 /nfs/dbraw/zinc/77/79/80/599777980.db2.gz NIHCDOQNRIPDQC-UHFFFAOYSA-N -2 3 358.416 1.485 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000826249720 607397573 /nfs/dbraw/zinc/39/75/73/607397573.db2.gz QQPFEMGDZQXIOO-MDZDMXLPSA-N -2 3 369.406 1.906 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000826249720 607397574 /nfs/dbraw/zinc/39/75/74/607397574.db2.gz QQPFEMGDZQXIOO-MDZDMXLPSA-N -2 3 369.406 1.906 20 0 FDADHL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1C(=O)[O-] ZINC000738969010 599924550 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FDADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c(=O)[n-]1 ZINC000738846967 600487244 /nfs/dbraw/zinc/48/72/44/600487244.db2.gz GRNXNPGWOVJVNT-ZDUSSCGKSA-N -2 3 351.403 1.214 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000737691878 600517909 /nfs/dbraw/zinc/51/79/09/600517909.db2.gz SQXJTVMSUQOFMP-UHFFFAOYSA-N -2 3 373.770 1.896 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3cc(C(=O)[O-])nn3)c2)n1 ZINC000830209964 601197322 /nfs/dbraw/zinc/19/73/22/601197322.db2.gz SRYOKXMCUQQUDF-UHFFFAOYSA-N -2 3 368.353 1.340 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)oc1C ZINC000831343210 601215328 /nfs/dbraw/zinc/21/53/28/601215328.db2.gz GSEIJXWUXSIVQL-ZDUSSCGKSA-N -2 3 367.379 1.869 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCCC3)cc1C(=O)[O-] ZINC000833027071 601218663 /nfs/dbraw/zinc/21/86/63/601218663.db2.gz OESCQRKRFLSIGE-SECBINFHSA-N -2 3 368.415 1.644 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)c1F ZINC000325592167 601231005 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O=S(=O)([N-]c1ccnn1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572283 963984812 /nfs/dbraw/zinc/98/48/12/963984812.db2.gz DTNSLUYSKYMNBV-UHFFFAOYSA-N -2 3 370.192 1.022 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001186665340 964614200 /nfs/dbraw/zinc/61/42/00/964614200.db2.gz GMQAQOSYHVTTMT-UHFFFAOYSA-N -2 3 371.351 1.722 20 0 FDADHL CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)NCCCCP(=O)([O-])[O-] ZINC001179305016 964812556 /nfs/dbraw/zinc/81/25/56/964812556.db2.gz CYGNEYUYFKKNDR-ZSBIGDGJSA-N -2 3 362.363 1.173 20 0 FDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190618964 967964222 /nfs/dbraw/zinc/96/42/22/967964222.db2.gz QFMXVYISXXPXJR-UHFFFAOYSA-N -2 3 355.270 1.096 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1 ZINC001191456002 968546711 /nfs/dbraw/zinc/54/67/11/968546711.db2.gz QFGRCZAJGSEQFS-UHFFFAOYSA-N -2 3 364.379 1.469 20 0 FDADHL COC(=O)c1ccc([O-])c(C(=O)Nc2ncc(Br)[n-]c2=O)c1 ZINC001192397981 969111310 /nfs/dbraw/zinc/11/13/10/969111310.db2.gz XURLBNCIGVHOCQ-UHFFFAOYSA-N -2 3 368.143 1.277 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194987892 970588904 /nfs/dbraw/zinc/58/89/04/970588904.db2.gz KGWQIJVPOZZCLZ-UHFFFAOYSA-N -2 3 359.363 1.923 20 0 FDADHL CC1C[C@H](C(=O)[N-]O[C@@H]2CCCCO2)[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000775828524 972897545 /nfs/dbraw/zinc/89/75/45/972897545.db2.gz ZMTGJGSYSXSOOJ-CAOSSQGBSA-N -2 3 370.446 1.798 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]Cc2cccc(CCC(=O)[O-])c2)nc1Cl ZINC000863419196 972898074 /nfs/dbraw/zinc/89/80/74/972898074.db2.gz XKHCUFZZRNQLPE-UHFFFAOYSA-N -2 3 357.819 1.569 20 0 FDADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnc(N2CCOCC2)c1 ZINC001198741697 973445956 /nfs/dbraw/zinc/44/59/56/973445956.db2.gz TUGUYSSKMGNIME-UHFFFAOYSA-N -2 3 363.395 1.417 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000794762192 973826737 /nfs/dbraw/zinc/82/67/37/973826737.db2.gz SRUKLXPWKRMHFC-BBRMVZONSA-N -2 3 373.402 1.924 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)n[n-]1 ZINC001603817971 974294085 /nfs/dbraw/zinc/29/40/85/974294085.db2.gz AAHHOPVDHPFJGB-LLVKDONJSA-N -2 3 366.418 1.434 20 0 FDADHL CCc1cc2c(CN[C@H](C(=O)[O-])c3ccnn3C)cc(=O)oc2cc1[O-] ZINC001603969668 974457557 /nfs/dbraw/zinc/45/75/57/974457557.db2.gz PJVQXEHIXCANFJ-KRWDZBQOSA-N -2 3 357.366 1.710 20 0 FDADHL O=c1cc(C[N-]S(=O)(=O)c2cccc(F)c2Br)o[n-]1 ZINC001201787305 975159388 /nfs/dbraw/zinc/15/93/88/975159388.db2.gz KGWIAGFPIDWRLX-UHFFFAOYSA-N -2 3 351.153 1.760 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H](O)C(F)(F)F ZINC001591904218 976300853 /nfs/dbraw/zinc/30/08/53/976300853.db2.gz VGIZPFPLEXXYAH-VLEAKVRGSA-N -2 3 361.382 1.497 20 0 FDADHL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])C1 ZINC000848878828 977219136 /nfs/dbraw/zinc/21/91/36/977219136.db2.gz LQZHDDVINMAJMR-JTNHKYCSSA-N -2 3 359.382 1.724 20 0 FDADHL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001592205263 977237625 /nfs/dbraw/zinc/23/76/25/977237625.db2.gz ODRDMYMTZDGJLL-NVDWLVSRSA-N -2 3 372.418 1.662 20 0 FDADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C1CC1 ZINC001592333808 977775172 /nfs/dbraw/zinc/77/51/72/977775172.db2.gz JJSMVGGZYZMISB-FPTDNZKUSA-N -2 3 366.505 1.895 20 0 FDADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccncc1 ZINC001592335045 977781397 /nfs/dbraw/zinc/78/13/97/977781397.db2.gz VOQMCVOMFUUAQT-CQSZACIVSA-N -2 3 357.338 1.423 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776536254 978983661 /nfs/dbraw/zinc/98/36/61/978983661.db2.gz CHDDIYNYDKOQSQ-YUMQZZPRSA-N -2 3 369.226 1.547 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1cccs1 ZINC000831133701 979027841 /nfs/dbraw/zinc/02/78/41/979027841.db2.gz HVBYQVOBHNWLFF-JTQLQIEISA-N -2 3 373.408 1.930 20 0 FDADHL C[C@H](CON=C([O-])Nc1nn(C)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592781540 979415931 /nfs/dbraw/zinc/41/59/31/979415931.db2.gz ZCPAVZOYPLHWRU-MRVPVSSYSA-N -2 3 357.367 1.085 20 0 FDADHL CCC(CC)[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])N1CCOCC1 ZINC001595105551 979424185 /nfs/dbraw/zinc/42/41/85/979424185.db2.gz BIZVXYMDZHMYNM-CQSZACIVSA-N -2 3 374.459 1.393 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(=O)[O-] ZINC001592809166 979487047 /nfs/dbraw/zinc/48/70/47/979487047.db2.gz VWAKDFPDCJPNQZ-USWWRNFRSA-N -2 3 369.361 1.161 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])c1noc(C)n1 ZINC001595313599 980478749 /nfs/dbraw/zinc/47/87/49/980478749.db2.gz UDLHWVVAXLPIFM-LBPRGKRZSA-N -2 3 369.399 1.443 20 0 FDADHL CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595327604 980549357 /nfs/dbraw/zinc/54/93/57/980549357.db2.gz VYZMFOPJXJHHBG-NSHDSACASA-N -2 3 359.322 1.740 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)o1 ZINC000826272640 980733154 /nfs/dbraw/zinc/73/31/54/980733154.db2.gz UHQHJRUGUXHDBY-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)o1 ZINC000826272640 980733157 /nfs/dbraw/zinc/73/31/57/980733157.db2.gz UHQHJRUGUXHDBY-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL CCC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H](O)c1ccccc1 ZINC001595600169 981577551 /nfs/dbraw/zinc/57/75/51/981577551.db2.gz HGYGNUTVKHTGTR-QWHCGFSZSA-N -2 3 353.400 1.289 20 0 FDADHL CCCCC[C@H](C)NC(=O)CN1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666007 982096025 /nfs/dbraw/zinc/09/60/25/982096025.db2.gz BPAXLCCMGGXZIN-FMHYQEOESA-N -2 3 354.447 1.569 20 0 FDADHL CC[C@H](C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC001594912555 982423414 /nfs/dbraw/zinc/42/34/14/982423414.db2.gz PSXKFUYDTGBVQL-IINYFYTJSA-N -2 3 374.434 1.742 20 0 FDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(=O)[O-] ZINC001594952744 982672842 /nfs/dbraw/zinc/67/28/42/982672842.db2.gz JMDNCKREHBJEAW-HQJQHLMTSA-N -3 3 365.354 1.831 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)c1 ZINC001596723755 984972546 /nfs/dbraw/zinc/97/25/46/984972546.db2.gz PLQQNAPYRUIFOI-UHFFFAOYSA-N -2 3 359.375 1.534 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(CC)CC(=O)[O-])c(F)c1 ZINC001596725928 984979896 /nfs/dbraw/zinc/97/98/96/984979896.db2.gz ASUHWHOTJOZLQH-HNNXBMFYSA-N -2 3 361.391 1.924 20 0 FDADHL CCOC(=O)c1nc([C@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])n[n-]1 ZINC001596749541 985090068 /nfs/dbraw/zinc/09/00/68/985090068.db2.gz WVIAEHDJYYXUMZ-WDEREUQCSA-N -2 3 362.386 1.684 20 0 FDADHL CCOC(=O)c1n[n-]c([C@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])n1 ZINC001596749541 985090078 /nfs/dbraw/zinc/09/00/78/985090078.db2.gz WVIAEHDJYYXUMZ-WDEREUQCSA-N -2 3 362.386 1.684 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(=O)[O-] ZINC001597350544 987488895 /nfs/dbraw/zinc/48/88/95/987488895.db2.gz GFQOZFNBFIAGKY-YFKPBYRVSA-N -3 3 372.218 1.350 20 0 FDADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)n1 ZINC001589657239 987629691 /nfs/dbraw/zinc/62/96/91/987629691.db2.gz VMKXWUZTMMTXPT-UHFFFAOYSA-N -2 3 358.397 1.754 20 0 FDADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)n1 ZINC001589677990 987699630 /nfs/dbraw/zinc/69/96/30/987699630.db2.gz RBMNJCRXQMBKKN-UHFFFAOYSA-N -2 3 370.373 1.451 20 0 FDADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)n1 ZINC001589677990 987699637 /nfs/dbraw/zinc/69/96/37/987699637.db2.gz RBMNJCRXQMBKKN-UHFFFAOYSA-N -2 3 370.373 1.451 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC2CC(C(=O)[O-])C2)ccc1F ZINC001589838975 988319336 /nfs/dbraw/zinc/31/93/36/988319336.db2.gz GEKYTZITJSEFDW-UHFFFAOYSA-N -2 3 373.402 1.923 20 0 FDADHL CSc1nc(NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)n[n-]1 ZINC001599828731 988636908 /nfs/dbraw/zinc/63/69/08/988636908.db2.gz DACSBVZEOMJUGS-ZETCQYMHSA-N -2 3 359.408 1.223 20 0 FDADHL C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C[C@H]1CC(=O)[O-] ZINC001599863451 989205564 /nfs/dbraw/zinc/20/55/64/989205564.db2.gz GWIHTZNMONJQDF-NXEZZACHSA-N -2 3 374.846 1.894 20 0 FDADHL CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001597813997 989440522 /nfs/dbraw/zinc/44/05/22/989440522.db2.gz ZMNFDOVBVOFVHB-UHFFFAOYSA-N -2 3 359.791 1.771 20 0 FDADHL CC(C)(CS(=O)(=O)[N-]Cc1sncc1Br)C(=O)[O-] ZINC001590820356 990654958 /nfs/dbraw/zinc/65/49/58/990654958.db2.gz UTXGLQSKBUNRTL-UHFFFAOYSA-N -2 3 357.251 1.436 20 0 FDADHL CN(C)CCCS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001598223190 990899505 /nfs/dbraw/zinc/89/95/05/990899505.db2.gz DWLJQUMZBDHUHV-GFCCVEGCSA-N -2 3 368.377 1.859 20 0 FDADHL CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598246660 991005920 /nfs/dbraw/zinc/00/59/20/991005920.db2.gz TXUMXOKCYVXJPI-UHFFFAOYSA-N -2 3 356.379 1.083 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-])C1CCCCC1 ZINC001599743646 991898163 /nfs/dbraw/zinc/89/81/63/991898163.db2.gz KOUGJDIESQWWGL-QKVFXAPYSA-N -2 3 352.478 1.505 20 0 FDADHL CC(C)CN(CC(=O)[O-])C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001591298282 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CO[C@H](C)c1nc(=NC(=O)c2cc(-c3c(C)nn(C)c3C)[n-]n2)s[n-]1 ZINC000549379774 542875963 /nfs/dbraw/zinc/87/59/63/542875963.db2.gz QCMYYBQASJIJBS-SECBINFHSA-N -2 3 361.431 1.660 20 0 FDADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000549548745 542897858 /nfs/dbraw/zinc/89/78/58/542897858.db2.gz HODMRUDBAPGHQP-QLFBSQMISA-N -2 3 363.476 1.259 20 0 FDADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000551915105 543375582 /nfs/dbraw/zinc/37/55/82/543375582.db2.gz MJEOMVBVMVCFIH-VIFPVBQESA-N -2 3 360.775 1.306 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)s1 ZINC000552000851 543402215 /nfs/dbraw/zinc/40/22/15/543402215.db2.gz YLWURAWHWFKRNG-AWEZNQCLSA-N -2 3 361.441 1.847 20 0 FDADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000037413196 171892781 /nfs/dbraw/zinc/89/27/81/171892781.db2.gz BMJNZIUIMYDUQP-SSDOTTSWSA-N -2 3 352.206 1.599 20 0 FDADHL CCCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)s1 ZINC000081709090 172195072 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20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3c(=O)[n-]cnc3C2)n1 ZINC000560413281 545001438 /nfs/dbraw/zinc/00/14/38/545001438.db2.gz WSQBVHGWUAFFEH-UHFFFAOYSA-N -2 3 365.393 1.834 20 0 FDADHL COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1 ZINC000290420916 258849600 /nfs/dbraw/zinc/84/96/00/258849600.db2.gz AEDIVXXROPKACR-SNVBAGLBSA-N -2 3 357.762 1.873 20 0 FDADHL Cc1ccc([O-])c(C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)c1 ZINC000332587333 259280293 /nfs/dbraw/zinc/28/02/93/259280293.db2.gz LOCMKZHAFKDMFQ-UHFFFAOYSA-N -2 3 367.452 1.727 20 0 FDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn3c(n2)CCCC3)(C(=O)[O-])C1(C)C ZINC000364647741 259768804 /nfs/dbraw/zinc/76/88/04/259768804.db2.gz PYPPJAYQEKNOFW-ZBEGNZNMSA-N -2 3 371.459 1.156 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCOC1 ZINC000368489809 260190786 /nfs/dbraw/zinc/19/07/86/260190786.db2.gz HADIWJHWIXEVLQ-NSHDSACASA-N -2 3 373.736 1.881 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N3CCCC[C@@H]23)cc(F)c1F ZINC000374534537 261149297 /nfs/dbraw/zinc/14/92/97/261149297.db2.gz DFDDJOMVAIYRQL-NEPJUHHUSA-N -2 3 374.365 1.095 20 0 FDADHL CC(C)Oc1cccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000533649486 490273016 /nfs/dbraw/zinc/27/30/16/490273016.db2.gz QQLLYPJMHDBPOH-UHFFFAOYSA-N -2 3 357.417 1.344 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)o1 ZINC000073902164 522631112 /nfs/dbraw/zinc/63/11/12/522631112.db2.gz YJTXXCNIPGBCSX-UHFFFAOYSA-N -2 3 354.369 1.552 20 0 FDADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000068017676 523666145 /nfs/dbraw/zinc/66/61/45/523666145.db2.gz NFFCLOQJLNTOQB-UHFFFAOYSA-N -2 3 372.410 1.799 20 0 FDADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000068017676 523666153 /nfs/dbraw/zinc/66/61/53/523666153.db2.gz NFFCLOQJLNTOQB-UHFFFAOYSA-N -2 3 372.410 1.799 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4cc[nH]n4)cc3)ccc21 ZINC000068216300 523732536 /nfs/dbraw/zinc/73/25/36/523732536.db2.gz HNRBBQIFWLNOTB-UHFFFAOYSA-N -2 3 368.374 1.761 20 0 FDADHL Cc1cc(=O)n2nc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)[n-]c2n1 ZINC000176413468 525116788 /nfs/dbraw/zinc/11/67/88/525116788.db2.gz RQRACVZQPRLBRH-UHFFFAOYSA-N -2 3 374.209 1.834 20 0 FDADHL CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nc(C3CC3)n[n-]2)c1C ZINC000127124871 525385888 /nfs/dbraw/zinc/38/58/88/525385888.db2.gz NINLDZZUTAJIQI-UHFFFAOYSA-N -2 3 350.400 1.486 20 0 FDADHL CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nnc(C3CC3)[n-]2)c1C ZINC000127124871 525385894 /nfs/dbraw/zinc/38/58/94/525385894.db2.gz NINLDZZUTAJIQI-UHFFFAOYSA-N -2 3 350.400 1.486 20 0 FDADHL COCc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000178216928 525397180 /nfs/dbraw/zinc/39/71/80/525397180.db2.gz LTLKJBJQFDPOCR-UHFFFAOYSA-N -2 3 359.411 1.738 20 0 FDADHL COCc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000178216928 525397185 /nfs/dbraw/zinc/39/71/85/525397185.db2.gz LTLKJBJQFDPOCR-UHFFFAOYSA-N -2 3 359.411 1.738 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000167430618 525602009 /nfs/dbraw/zinc/60/20/09/525602009.db2.gz MPGHLBYEGQCBTJ-MRVPVSSYSA-N -2 3 372.624 1.480 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1 ZINC000184971498 536194438 /nfs/dbraw/zinc/19/44/38/536194438.db2.gz HBROGEWMRDCXHH-UHFFFAOYSA-N -2 3 363.317 1.902 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N1CCC(C)CC1 ZINC000184965481 536194654 /nfs/dbraw/zinc/19/46/54/536194654.db2.gz UUCAXVFKWROLBQ-GFCCVEGCSA-N -2 3 358.435 1.923 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263000440 536958350 /nfs/dbraw/zinc/95/83/50/536958350.db2.gz OVOMCCIXXFMNDS-MEWQQHAOSA-N -2 3 372.468 1.127 20 0 FDADHL C[C@@H](CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000263128329 536978363 /nfs/dbraw/zinc/97/83/63/536978363.db2.gz XVWDEXUNPJMIHT-VIFPVBQESA-N -2 3 373.406 1.451 20 0 FDADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000263226667 536996213 /nfs/dbraw/zinc/99/62/13/536996213.db2.gz QBCXKQYTUMGIQI-NWDGAFQWSA-N -2 3 372.418 1.206 20 0 FDADHL COC(=O)[C@H](C)CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000268097197 537010979 /nfs/dbraw/zinc/01/09/79/537010979.db2.gz VYFFOCASNFDIQP-SECBINFHSA-N -2 3 373.383 1.097 20 0 FDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000263338344 537019497 /nfs/dbraw/zinc/01/94/97/537019497.db2.gz MYMBMAVGAPJAQE-VXGBXAGGSA-N -2 3 372.418 1.063 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(C(=O)[O-])CC1 ZINC000263396158 537027042 /nfs/dbraw/zinc/02/70/42/537027042.db2.gz DOGIRGMVEKGECS-CYBMUJFWSA-N -2 3 372.418 1.110 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263398585 537027358 /nfs/dbraw/zinc/02/73/58/537027358.db2.gz DXCCAEPAPVAQMG-SUNKGSAMSA-N -2 3 374.434 1.354 20 0 FDADHL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000263455256 537033052 /nfs/dbraw/zinc/03/30/52/537033052.db2.gz 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FDADHL COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-])n1 ZINC000832583396 601797325 /nfs/dbraw/zinc/79/73/25/601797325.db2.gz UWQARECKCXTSKV-UWVGGRQHSA-N -2 3 369.399 1.446 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000824000005 607531728 /nfs/dbraw/zinc/53/17/28/607531728.db2.gz QNBJCRPZGVNBPM-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000824005540 607531852 /nfs/dbraw/zinc/53/18/52/607531852.db2.gz WVAPJVIHRQMHTJ-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000824005540 607531853 /nfs/dbraw/zinc/53/18/53/607531853.db2.gz WVAPJVIHRQMHTJ-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826073077 607533581 /nfs/dbraw/zinc/53/35/81/607533581.db2.gz CYOZFVMVRDXGIK-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826073077 607533582 /nfs/dbraw/zinc/53/35/82/607533582.db2.gz CYOZFVMVRDXGIK-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1-c1nn[n-]n1 ZINC000826304126 607535271 /nfs/dbraw/zinc/53/52/71/607535271.db2.gz XMMCOYPYJDLAKI-UHFFFAOYSA-N -2 3 372.366 1.823 20 0 FDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000832852734 601985105 /nfs/dbraw/zinc/98/51/05/601985105.db2.gz IHESBXOGPFVKLO-UHFFFAOYSA-N -3 3 365.363 1.957 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000827569904 601999198 /nfs/dbraw/zinc/99/91/98/601999198.db2.gz BKZIMVDAOVQWTE-OCCSQVGLSA-N -2 3 371.455 1.580 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC2CC2)c(Br)o1 ZINC000236485939 602153516 /nfs/dbraw/zinc/15/35/16/602153516.db2.gz XROBWFLKDMRAFC-UHFFFAOYSA-N -2 3 368.205 1.445 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC2CCC2)c(Br)o1 ZINC000709827629 602160421 /nfs/dbraw/zinc/16/04/21/602160421.db2.gz LPENJRNITXXYNC-UHFFFAOYSA-N -2 3 368.205 1.588 20 0 FDADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000740732199 602571676 /nfs/dbraw/zinc/57/16/76/602571676.db2.gz IMYKQLIHUJZYIS-WFASDCNBSA-N -2 3 371.393 1.565 20 0 FDADHL Cc1nc(C)c(CCC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c(=O)[n-]1 ZINC000740216341 602635818 /nfs/dbraw/zinc/63/58/18/602635818.db2.gz FANZAZWIQWEFQD-CYBMUJFWSA-N -2 3 350.419 1.628 20 0 FDADHL O=C([O-])NC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000832415562 602807988 /nfs/dbraw/zinc/80/79/88/602807988.db2.gz OEFWIQJXXCSQIP-CQSZACIVSA-N -2 3 352.354 1.857 20 0 FDADHL O=C([O-])N1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740723004 602922965 /nfs/dbraw/zinc/92/29/65/602922965.db2.gz VRFWEPVOEJOREB-JSGCOSHPSA-N -2 3 362.382 1.682 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]C2CCC(NC(=O)[O-])CC2)c1 ZINC000739794866 603086099 /nfs/dbraw/zinc/08/60/99/603086099.db2.gz ZRYSKXPYRXCRJR-UHFFFAOYSA-N -2 3 362.429 1.392 20 0 FDADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000739205246 603218924 /nfs/dbraw/zinc/21/89/24/603218924.db2.gz MFDSLPSAVKYGLC-IINYFYTJSA-N -2 3 359.382 1.761 20 0 FDADHL O=C([O-])NCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000832684597 603475120 /nfs/dbraw/zinc/47/51/20/603475120.db2.gz TYVRLPWDMOJJIZ-UHFFFAOYSA-N -2 3 373.365 1.351 20 0 FDADHL O=C([O-])NC[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000832416628 603484535 /nfs/dbraw/zinc/48/45/35/603484535.db2.gz YYECVVSVSXXWMF-LBPRGKRZSA-N -2 3 352.354 1.857 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CNC(=O)[O-])oc1C ZINC000828760473 603492233 /nfs/dbraw/zinc/49/22/33/603492233.db2.gz COEUVAZZMLYIBD-ZYHUDNBSSA-N -2 3 374.415 1.479 20 0 FDADHL CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000827836093 603605931 /nfs/dbraw/zinc/60/59/31/603605931.db2.gz UUSFGUXEUMSQEP-GXTWGEPZSA-N -2 3 361.398 1.208 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)o1 ZINC000833324321 604415479 /nfs/dbraw/zinc/41/54/79/604415479.db2.gz CKIFYXJPHUUBJL-UHFFFAOYSA-N -2 3 351.336 1.674 20 0 FDADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000832340936 604555613 /nfs/dbraw/zinc/55/56/13/604555613.db2.gz RUEPATFVOONMMI-OCCSQVGLSA-N -2 3 361.398 1.113 20 0 FDADHL C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCO1 ZINC000825358624 604594916 /nfs/dbraw/zinc/59/49/16/604594916.db2.gz HILCRIVRJWWVFN-MFKMUULPSA-N -2 3 372.381 1.939 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000827571586 604663410 /nfs/dbraw/zinc/66/34/10/604663410.db2.gz MWLSWYXLMQFBEK-AAEUAGOBSA-N -2 3 357.428 1.710 20 0 FDADHL C[C@]1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC[C@@H]1C(=O)[O-] ZINC000833573461 605065780 /nfs/dbraw/zinc/06/57/80/605065780.db2.gz XNRRIQFUAJKEDA-BZNIZROVSA-N -2 3 351.428 1.632 20 0 FDADHL COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833736787 605210046 /nfs/dbraw/zinc/21/00/46/605210046.db2.gz YFGXJRNOKZOOLU-GFCCVEGCSA-N -2 3 366.395 1.544 20 0 FDADHL C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833515351 605299582 /nfs/dbraw/zinc/29/95/82/605299582.db2.gz QLGHJRLODSAKME-SECBINFHSA-N -2 3 362.404 1.559 20 0 FDADHL CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCN1C[C@H](C)O ZINC000833850498 605652276 /nfs/dbraw/zinc/65/22/76/605652276.db2.gz JJBSCZYGGARLBK-WCQYABFASA-N -2 3 351.403 1.399 20 0 FDADHL COc1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])cc(OC)c1[O-] ZINC000833885915 605936082 /nfs/dbraw/zinc/93/60/82/605936082.db2.gz PJJBOMXVEHIWHH-JQWIXIFHSA-N -2 3 352.387 1.966 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000821477067 606180889 /nfs/dbraw/zinc/18/08/89/606180889.db2.gz XFHNUMDLCZUBOC-UHFFFAOYSA-N -2 3 354.779 1.871 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000821477067 606180890 /nfs/dbraw/zinc/18/08/90/606180890.db2.gz XFHNUMDLCZUBOC-UHFFFAOYSA-N -2 3 354.779 1.871 20 0 FDADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000819834678 606336951 /nfs/dbraw/zinc/33/69/51/606336951.db2.gz RJUPGKYBQGRUQB-UHFFFAOYSA-N -2 3 359.367 1.576 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@H](C)C1 ZINC000822222774 606628792 /nfs/dbraw/zinc/62/87/92/606628792.db2.gz SNFWWVOMIWSPDN-UVIKPUKZSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@H](C)C1 ZINC000822222774 606628793 /nfs/dbraw/zinc/62/87/93/606628793.db2.gz SNFWWVOMIWSPDN-UVIKPUKZSA-N -2 3 361.427 1.726 20 0 FDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)n1 ZINC000819971315 606706944 /nfs/dbraw/zinc/70/69/44/606706944.db2.gz IGRMAKSXTZGBNA-JTQLQIEISA-N -2 3 369.451 1.129 20 0 FDADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822193946 606709639 /nfs/dbraw/zinc/70/96/39/606709639.db2.gz AXNNFUQOEDPAFZ-UHFFFAOYSA-N -2 3 361.431 1.635 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)n1 ZINC000822623173 606711443 /nfs/dbraw/zinc/71/14/43/606711443.db2.gz PYAHIFZYDKLONI-UHFFFAOYSA-N -2 3 374.361 1.088 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822527867 606820695 /nfs/dbraw/zinc/82/06/95/606820695.db2.gz HNXGFFCGIZMZGH-UHFFFAOYSA-N -2 3 363.403 1.338 20 0 FDADHL CSc1n[nH]c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000821988651 606861361 /nfs/dbraw/zinc/86/13/61/606861361.db2.gz GCAIEGOMYIOODF-UHFFFAOYSA-N -2 3 372.823 1.161 20 0 FDADHL CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821678973 606895843 /nfs/dbraw/zinc/89/58/43/606895843.db2.gz VEYFVYNAYIRVEH-GHMZBOCLSA-N -2 3 373.385 1.237 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820541092 607108090 /nfs/dbraw/zinc/10/80/90/607108090.db2.gz BKAXPAPDNMXQGJ-VOMCLLRMSA-N -2 3 359.386 1.394 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820541092 607108091 /nfs/dbraw/zinc/10/80/91/607108091.db2.gz BKAXPAPDNMXQGJ-VOMCLLRMSA-N -2 3 359.386 1.394 20 0 FDADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583423 607223991 /nfs/dbraw/zinc/22/39/91/607223991.db2.gz QHUSSRFRGJWQNL-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583423 607223992 /nfs/dbraw/zinc/22/39/92/607223992.db2.gz QHUSSRFRGJWQNL-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826450578 607925692 /nfs/dbraw/zinc/92/56/92/607925692.db2.gz SAYIXUPVUFLXPM-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826450578 607925693 /nfs/dbraw/zinc/92/56/93/607925693.db2.gz SAYIXUPVUFLXPM-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC000826450284 607985987 /nfs/dbraw/zinc/98/59/87/607985987.db2.gz DZSTXHGSWIMCLQ-UHFFFAOYSA-N -2 3 371.369 1.497 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC000826450284 607985988 /nfs/dbraw/zinc/98/59/88/607985988.db2.gz DZSTXHGSWIMCLQ-UHFFFAOYSA-N -2 3 371.369 1.497 20 0 FDADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492680 608057838 /nfs/dbraw/zinc/05/78/38/608057838.db2.gz XQJHJMUUMMDSAA-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492680 608057839 /nfs/dbraw/zinc/05/78/39/608057839.db2.gz XQJHJMUUMMDSAA-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=C(c1ccc(F)cc1[O-])N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473192 608080709 /nfs/dbraw/zinc/08/07/09/608080709.db2.gz OCLRORLTOQDXFV-MRXNPFEDSA-N -2 3 369.356 1.925 20 0 FDADHL CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225662 608179966 /nfs/dbraw/zinc/17/99/66/608179966.db2.gz WAJYMIDCWJUSSJ-AWEZNQCLSA-N -2 3 365.459 1.885 20 0 FDADHL CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225662 608179968 /nfs/dbraw/zinc/17/99/68/608179968.db2.gz WAJYMIDCWJUSSJ-AWEZNQCLSA-N -2 3 365.459 1.885 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826225909 608331843 /nfs/dbraw/zinc/33/18/43/608331843.db2.gz NHGJWFMDGWJKOB-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826225909 608331844 /nfs/dbraw/zinc/33/18/44/608331844.db2.gz NHGJWFMDGWJKOB-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826450037 608473939 /nfs/dbraw/zinc/47/39/39/608473939.db2.gz UUWVXYUFKRBKNH-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826450037 608473941 /nfs/dbraw/zinc/47/39/41/608473941.db2.gz UUWVXYUFKRBKNH-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826186975 608526629 /nfs/dbraw/zinc/52/66/29/608526629.db2.gz SVWVETMUPAAJCK-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493104 608529038 /nfs/dbraw/zinc/52/90/38/608529038.db2.gz UCORRHFUBLUDNR-UHFFFAOYSA-N -2 3 361.358 1.837 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493104 608529039 /nfs/dbraw/zinc/52/90/39/608529039.db2.gz UCORRHFUBLUDNR-UHFFFAOYSA-N -2 3 361.358 1.837 20 0 FDADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826321874 609264338 /nfs/dbraw/zinc/26/43/38/609264338.db2.gz SIPVOOTVRNIJBT-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826321874 609264339 /nfs/dbraw/zinc/26/43/39/609264339.db2.gz SIPVOOTVRNIJBT-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826461220 609384340 /nfs/dbraw/zinc/38/43/40/609384340.db2.gz LRQFLXDPKSJDHB-AWEZNQCLSA-N -2 3 371.378 1.071 20 0 FDADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826461220 609384342 /nfs/dbraw/zinc/38/43/42/609384342.db2.gz LRQFLXDPKSJDHB-AWEZNQCLSA-N -2 3 371.378 1.071 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(Cl)c1 ZINC000275276790 674619661 /nfs/dbraw/zinc/61/96/61/674619661.db2.gz NVGBUQLPHUGDEN-QMMMGPOBSA-N -2 3 371.745 1.513 20 0 FDADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000290576982 676214792 /nfs/dbraw/zinc/21/47/92/676214792.db2.gz VGLRGZIZDWGHHZ-UHFFFAOYSA-N -2 3 361.441 1.867 20 0 FDADHL CCn1nc(C)c(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)c1C ZINC000294275068 676380932 /nfs/dbraw/zinc/38/09/32/676380932.db2.gz SDQVFNCQFLYRDJ-UHFFFAOYSA-N -2 3 353.400 1.813 20 0 FDADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000424068517 680828568 /nfs/dbraw/zinc/82/85/68/680828568.db2.gz ZJBUPILWWZPLOQ-UHFFFAOYSA-N -2 3 365.411 1.739 20 0 FDADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433373395 681184583 /nfs/dbraw/zinc/18/45/83/681184583.db2.gz RXHXFYZYESBBMN-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2O)c(F)c1 ZINC000433801053 681216007 /nfs/dbraw/zinc/21/60/07/681216007.db2.gz IADLVKOOHJFKKP-UHFFFAOYSA-N -2 3 360.388 1.704 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccn(CC(F)(F)F)n3)ccc21 ZINC000448125789 682596082 /nfs/dbraw/zinc/59/60/82/682596082.db2.gz OFOWSSLCTAQPEF-UHFFFAOYSA-N -2 3 374.300 1.130 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(F)c1 ZINC000480231793 686145842 /nfs/dbraw/zinc/14/58/42/686145842.db2.gz NTGGONDKJQJUJY-UHFFFAOYSA-N -2 3 363.374 1.739 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c(F)c1 ZINC000480231793 686145848 /nfs/dbraw/zinc/14/58/48/686145848.db2.gz NTGGONDKJQJUJY-UHFFFAOYSA-N -2 3 363.374 1.739 20 0 FDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481468029 686336280 /nfs/dbraw/zinc/33/62/80/686336280.db2.gz QLUNWLCXOPSGPU-UHFFFAOYSA-N -2 3 370.408 2.000 20 0 FDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000521604888 694412900 /nfs/dbraw/zinc/41/29/00/694412900.db2.gz PQRXUXGLPLADPG-UHFFFAOYSA-N -2 3 360.347 1.158 20 0 FDADHL O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000890530172 769487551 /nfs/dbraw/zinc/48/75/51/769487551.db2.gz HMWLQEODUGKXIL-VIFPVBQESA-N -2 3 352.753 1.689 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)oc1C(=O)[O-] ZINC000663419106 806982533 /nfs/dbraw/zinc/98/25/33/806982533.db2.gz OMWCLJXXRFEUEY-UHFFFAOYSA-N -2 3 367.379 1.926 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)oc1C(=O)[O-] ZINC000663418653 806982614 /nfs/dbraw/zinc/98/26/14/806982614.db2.gz LEEJAAXOSHWZHZ-LLVKDONJSA-N -2 3 366.399 1.024 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)oc1C(=O)[O-] ZINC000663421519 806986671 /nfs/dbraw/zinc/98/66/71/806986671.db2.gz SAPXNZIIJLZSQD-UHFFFAOYSA-N -2 3 364.423 1.623 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c([O-])c1 ZINC000262750194 837865601 /nfs/dbraw/zinc/86/56/01/837865601.db2.gz AFXNJMYWHHQUSR-AWEZNQCLSA-N -2 3 362.426 1.924 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC000906003576 852501730 /nfs/dbraw/zinc/50/17/30/852501730.db2.gz DXBKAQXLFYEWFA-QMMMGPOBSA-N -2 3 358.160 1.598 20 0 FDADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000910169580 856927073 /nfs/dbraw/zinc/92/70/73/856927073.db2.gz DYZGBJWJJYTGIG-SNVBAGLBSA-N -2 3 371.231 1.776 20 0 FDADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000669622242 864474591 /nfs/dbraw/zinc/47/45/91/864474591.db2.gz NYHKQSLYXKVMIN-UHFFFAOYSA-N -2 3 374.340 1.518 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000378772574 922483597 /nfs/dbraw/zinc/48/35/97/922483597.db2.gz CUQJAHKDGHJDFP-MRVPVSSYSA-N -2 3 368.205 1.444 20 0 FDADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819834088 945297901 /nfs/dbraw/zinc/29/79/01/945297901.db2.gz LPLVWICPGJFGIY-UHFFFAOYSA-N -2 3 350.385 1.327 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc3ccccn3n2)c(F)cc1F ZINC001195267773 970803664 /nfs/dbraw/zinc/80/36/64/970803664.db2.gz GIKJCZMBNLBETM-UHFFFAOYSA-N -2 3 367.333 1.789 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cn(Cc2c(F)cccc2F)nn1 ZINC001195386322 970926582 /nfs/dbraw/zinc/92/65/82/970926582.db2.gz ALQJABBJLFIZGG-UHFFFAOYSA-N -2 3 374.284 1.292 20 0 FDADHL O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823556845 946445447 /nfs/dbraw/zinc/44/54/47/946445447.db2.gz ARSYBPLMFHMCQM-AATRIKPKSA-N -2 3 352.376 1.875 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000824730573 946916394 /nfs/dbraw/zinc/91/63/94/946916394.db2.gz OXYLHVDGVAODCT-GFCCVEGCSA-N -2 3 373.413 1.928 20 0 FDADHL COc1nc([N-]S(=O)(=O)c2ccc(Br)cn2)cc(=O)[n-]1 ZINC001196127087 971463843 /nfs/dbraw/zinc/46/38/43/971463843.db2.gz IQLZFTRMFHDTSM-UHFFFAOYSA-N -2 3 361.177 1.149 20 0 FDADHL O=c1cc(CN2CCC[C@H]2C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001570962736 950042952 /nfs/dbraw/zinc/04/29/52/950042952.db2.gz AXSNYEYQQFCBOK-VIFPVBQESA-N -2 3 354.296 1.142 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000846001579 950313212 /nfs/dbraw/zinc/31/32/12/950313212.db2.gz INPCOIKIZBPIRG-UHFFFAOYSA-N -2 3 360.741 1.705 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000846002892 950314046 /nfs/dbraw/zinc/31/40/46/950314046.db2.gz OGDMVUBRDGCSBS-UHFFFAOYSA-N -2 3 360.741 1.705 20 0 FDADHL O=C([O-])CCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001595025355 951345359 /nfs/dbraw/zinc/34/53/59/951345359.db2.gz XYQYAEAAOWDXOK-UHFFFAOYSA-N -2 3 354.837 1.051 20 0 FDADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(-c3nn[n-]n3)c(F)cc2F)o1 ZINC001571054866 951852381 /nfs/dbraw/zinc/85/23/81/951852381.db2.gz YMIQRVCRTNYGHB-UHFFFAOYSA-N -2 3 369.309 1.394 20 0 FDADHL O=c1cc(CN2CCOCC23CCCCC3)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571071816 952069359 /nfs/dbraw/zinc/06/93/59/952069359.db2.gz YRWBVBPROWXEGI-UHFFFAOYSA-N -2 3 370.417 1.150 20 0 FDADHL CCn1c(C)cc2[n-]nc(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)c2c1=O ZINC001593660908 953799640 /nfs/dbraw/zinc/79/96/40/953799640.db2.gz PQLJKSUZDYYDEE-WDEREUQCSA-N -2 3 362.386 1.261 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOC1 ZINC001594884795 954451782 /nfs/dbraw/zinc/45/17/82/954451782.db2.gz QQAWYGLWEAGVGE-AWEZNQCLSA-N -2 3 354.409 1.332 20 0 FDADHL Cc1c(C(=O)[O-])sc2[n-]c(Cn3nnc(-c4ccccc4)n3)nc(=O)c12 ZINC000013196520 956978390 /nfs/dbraw/zinc/97/83/90/956978390.db2.gz VLYRHQGQVOKIOV-UHFFFAOYSA-N -2 3 368.378 1.693 20 0 FDADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594430112 959167935 /nfs/dbraw/zinc/16/79/35/959167935.db2.gz BLCAQDMPNBMBKP-LLVKDONJSA-N -2 3 355.803 1.413 20 0 FDADHL CSc1ccc([O-])c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001574258151 960554954 /nfs/dbraw/zinc/55/49/54/960554954.db2.gz WTQQBAJKMBCFPO-GFCCVEGCSA-N -2 3 352.412 1.310 20 0 FDADHL CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221475 960681693 /nfs/dbraw/zinc/68/16/93/960681693.db2.gz INLXUARJYSEBRJ-MRVPVSSYSA-N -2 3 353.799 1.863 20 0 FDADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC1=O ZINC001259222459 960687044 /nfs/dbraw/zinc/68/70/44/960687044.db2.gz UDNPVFILLZACBH-SSDOTTSWSA-N -2 3 364.782 1.076 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1O ZINC001260399967 960722710 /nfs/dbraw/zinc/72/27/10/960722710.db2.gz KGLBPQHUIWECIT-UHFFFAOYSA-N -2 3 365.363 1.669 20 0 FDADHL O=S(=O)([N-]c1cccc2nsnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185556111 963975480 /nfs/dbraw/zinc/97/54/80/963975480.db2.gz ROGFEZJDLOTMEI-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL O=S(=O)([N-]c1cccc2nsnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185556111 963975485 /nfs/dbraw/zinc/97/54/85/963975485.db2.gz ROGFEZJDLOTMEI-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL CCOC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566725 963979767 /nfs/dbraw/zinc/97/97/67/963979767.db2.gz RMPKOWKPGUPNPM-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CCOC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566725 963979771 /nfs/dbraw/zinc/97/97/71/963979771.db2.gz RMPKOWKPGUPNPM-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185598118 963996644 /nfs/dbraw/zinc/99/66/44/963996644.db2.gz KKXTXFPGMFGABN-UHFFFAOYSA-N -2 3 372.410 1.417 20 0 FDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598118 963996646 /nfs/dbraw/zinc/99/66/46/963996646.db2.gz KKXTXFPGMFGABN-UHFFFAOYSA-N -2 3 372.410 1.417 20 0 FDADHL Cc1cc2c([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cccc2nn1 ZINC001185598121 963996998 /nfs/dbraw/zinc/99/69/98/963996998.db2.gz KLQRSYHIOWXFDP-UHFFFAOYSA-N -2 3 367.394 1.919 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180340275 965230885 /nfs/dbraw/zinc/23/08/85/965230885.db2.gz ILIBPKAVDUVABD-AWEZNQCLSA-N -2 3 370.342 1.724 20 0 FDADHL CN(C)c1nc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(N=O)c(=O)[n-]1 ZINC001189425266 966970454 /nfs/dbraw/zinc/97/04/54/966970454.db2.gz FUHHNLUWMPSPCJ-UHFFFAOYSA-N -2 3 373.341 1.866 20 0 FDADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000776598823 967339937 /nfs/dbraw/zinc/33/99/37/967339937.db2.gz FOKGNRWLWMZFSD-SECBINFHSA-N -2 3 353.849 1.950 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000776622117 967606611 /nfs/dbraw/zinc/60/66/11/967606611.db2.gz DDWNLXIMWWXWRR-QMMMGPOBSA-N -2 3 364.807 1.301 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1F ZINC000776624756 967652578 /nfs/dbraw/zinc/65/25/78/967652578.db2.gz WOPUTZKVKANFGE-QMMMGPOBSA-N -2 3 365.354 1.531 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1F ZINC000776632817 967700775 /nfs/dbraw/zinc/70/07/75/967700775.db2.gz BKORQBJCFBFTQD-MRVPVSSYSA-N -2 3 365.354 1.673 20 0 FDADHL CSc1ncc(C(=O)Nc2ncc(Br)[n-]c2=O)c(=O)[n-]1 ZINC001191438348 968515132 /nfs/dbraw/zinc/51/51/32/968515132.db2.gz XSILJKSUNZWIDM-UHFFFAOYSA-N -2 3 358.177 1.002 20 0 FDADHL Cc1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)nn1 ZINC000903408797 969577926 /nfs/dbraw/zinc/57/79/26/969577926.db2.gz NIJDPDTYDCPHBM-NWDGAFQWSA-N -2 3 360.336 1.190 20 0 FDADHL Cn1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])n1 ZINC001193253989 969581079 /nfs/dbraw/zinc/58/10/79/969581079.db2.gz FMESTFSOTOXSNE-UHFFFAOYSA-N -2 3 373.394 1.574 20 0 FDADHL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(Cl)c1 ZINC001193261601 969588183 /nfs/dbraw/zinc/58/81/83/969588183.db2.gz KJXJXYLYDCZIMH-MRVPVSSYSA-N -2 3 355.821 1.507 20 0 FDADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCCCC1 ZINC001605973762 972986733 /nfs/dbraw/zinc/98/67/33/972986733.db2.gz DREYFJVDGLGESH-CHWSQXEVSA-N -2 3 366.380 1.932 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CS1 ZINC000397874381 973030219 /nfs/dbraw/zinc/03/02/19/973030219.db2.gz LBAYBYQECNOTOI-PHDIDXHHSA-N -2 3 370.246 1.913 20 0 FDADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000398137600 973074019 /nfs/dbraw/zinc/07/40/19/973074019.db2.gz NCNBIFBVWZHRIL-BQBZGAKWSA-N -2 3 368.205 1.586 20 0 FDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1=NN(c3ccccc3)[C@@H](C(=O)[O-])C1)C2 ZINC001605411201 973416080 /nfs/dbraw/zinc/41/60/80/973416080.db2.gz ZHPDUUJQXWNGGT-OAHLLOKOSA-N -2 3 367.365 1.052 20 0 FDADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198782607 973468139 /nfs/dbraw/zinc/46/81/39/973468139.db2.gz LIPWDNRROSLZBX-UHFFFAOYSA-N -2 3 365.363 1.737 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(OC2CCOCC2)ccn1 ZINC001199545036 974386006 /nfs/dbraw/zinc/38/60/06/974386006.db2.gz ZJNPPVRTDQZCAH-UHFFFAOYSA-N -2 3 358.331 1.327 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201372577 975016214 /nfs/dbraw/zinc/01/62/14/975016214.db2.gz PSAFXXCGURDJKF-UHFFFAOYSA-N -2 3 367.669 1.815 20 0 FDADHL O=C(CSc1n[n-]c(=S)s1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847080324 975321905 /nfs/dbraw/zinc/32/19/05/975321905.db2.gz NLESFCIJZLSIPQ-ZCFIWIBFSA-N -2 3 359.458 1.414 20 0 FDADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C1CC1 ZINC001592333836 977775360 /nfs/dbraw/zinc/77/53/60/977775360.db2.gz JJSMVGGZYZMISB-RCDICMHDSA-N -2 3 366.505 1.895 20 0 FDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001592415873 978015518 /nfs/dbraw/zinc/01/55/18/978015518.db2.gz QSEZMKPBPINZRK-LBPRGKRZSA-N -2 3 358.394 1.872 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)nc1Cl ZINC000776478002 978444076 /nfs/dbraw/zinc/44/40/76/978444076.db2.gz QHOLNTMWVFMTSK-SNVBAGLBSA-N -2 3 361.782 1.707 20 0 FDADHL C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001592616685 978581148 /nfs/dbraw/zinc/58/11/48/978581148.db2.gz XXBAJTCDNWLYLR-SNVBAGLBSA-N -2 3 362.398 1.816 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776482797 978598024 /nfs/dbraw/zinc/59/80/24/978598024.db2.gz ABTCMQBCHHIILP-MRVPVSSYSA-N -2 3 355.869 1.257 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccc(F)cc1 ZINC000776623325 978761423 /nfs/dbraw/zinc/76/14/23/978761423.db2.gz OUGGXCQCWVKJNQ-LLVKDONJSA-N -2 3 374.777 1.685 20 0 FDADHL NC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000832374290 979044880 /nfs/dbraw/zinc/04/48/80/979044880.db2.gz LUECJDASPDEFHB-CYBMUJFWSA-N -2 3 368.798 1.543 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCc2ccccc2C1 ZINC001592716010 979214794 /nfs/dbraw/zinc/21/47/94/979214794.db2.gz NAACBDQWUOLGOH-LBPRGKRZSA-N -2 3 364.423 1.703 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592722515 979226492 /nfs/dbraw/zinc/22/64/92/979226492.db2.gz NIRHGGNPDGLIHX-SSDOTTSWSA-N -2 3 365.433 1.033 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])N1CCc2sccc2C1 ZINC001592723562 979232510 /nfs/dbraw/zinc/23/25/10/979232510.db2.gz YIANSBANWWLYBV-JTQLQIEISA-N -2 3 370.452 1.764 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837288943 979270911 /nfs/dbraw/zinc/27/09/11/979270911.db2.gz RJUZVKPLCMLGGT-ZCFIWIBFSA-N -2 3 371.640 1.887 20 0 FDADHL COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ncn1 ZINC000826181265 979431716 /nfs/dbraw/zinc/43/17/16/979431716.db2.gz RTBAZVIWCDQQSG-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ncn1 ZINC000826181265 979431742 /nfs/dbraw/zinc/43/17/42/979431742.db2.gz RTBAZVIWCDQQSG-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL CCC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001595226954 980079685 /nfs/dbraw/zinc/07/96/85/980079685.db2.gz YYDLOQBETAJRFL-UHFFFAOYSA-N -2 3 357.356 1.557 20 0 FDADHL C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593002310 980214787 /nfs/dbraw/zinc/21/47/87/980214787.db2.gz FJQMNWDOVSOWKJ-RVMXOQNASA-N -2 3 363.414 1.758 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000903030910 980954100 /nfs/dbraw/zinc/95/41/00/980954100.db2.gz UDWXBBQJMVADDX-MWLCHTKSSA-N -2 3 351.783 1.780 20 0 FDADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc([O-])cc(Br)c1 ZINC000882735934 981633995 /nfs/dbraw/zinc/63/39/95/981633995.db2.gz YYMZXVPJTWSVQE-SFHVURJKSA-N -2 3 372.266 1.386 20 0 FDADHL CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001594920976 982465777 /nfs/dbraw/zinc/46/57/77/982465777.db2.gz MUTLLPQFBGQNSW-RNFRBKRXSA-N -2 3 370.221 1.426 20 0 FDADHL Cc1ccccc1OCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000645963029 1014979803 /nfs/dbraw/zinc/97/98/03/1014979803.db2.gz UVRZOSWSMRSEBI-UHFFFAOYSA-N -2 3 356.425 1.897 20 0 FDADHL CCOC(=O)N1CCC[C@@H]([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001596651998 984686072 /nfs/dbraw/zinc/68/60/72/984686072.db2.gz UUCHCPCBQYBHHH-GHMZBOCLSA-N -2 3 374.415 1.513 20 0 FDADHL CCOC(=O)c1nc([C@@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])n[n-]1 ZINC001596749538 985090336 /nfs/dbraw/zinc/09/03/36/985090336.db2.gz WVIAEHDJYYXUMZ-GHMZBOCLSA-N -2 3 362.386 1.684 20 0 FDADHL CCOC(=O)c1n[n-]c([C@@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])n1 ZINC001596749538 985090343 /nfs/dbraw/zinc/09/03/43/985090343.db2.gz WVIAEHDJYYXUMZ-GHMZBOCLSA-N -2 3 362.386 1.684 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001589224302 985743453 /nfs/dbraw/zinc/74/34/53/985743453.db2.gz BQPGNBXOQYZGMR-LLVKDONJSA-N -2 3 369.424 1.248 20 0 FDADHL CC(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cc1[O-] ZINC001589277324 985994019 /nfs/dbraw/zinc/99/40/19/985994019.db2.gz NCOUFIPBCYKHDR-UHFFFAOYSA-N -2 3 370.361 1.590 20 0 FDADHL C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)O2 ZINC001594641275 986793037 /nfs/dbraw/zinc/79/30/37/986793037.db2.gz WQUBAZJEQBRYRV-DZHLUBAWSA-N -2 3 359.400 1.229 20 0 FDADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589741764 988016009 /nfs/dbraw/zinc/01/60/09/988016009.db2.gz GULMBYRRAQIFFA-SSDOTTSWSA-N -3 3 350.418 1.399 20 0 FDADHL CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001599802165 988194498 /nfs/dbraw/zinc/19/44/98/988194498.db2.gz DZUZWZWCNDAPMX-UHFFFAOYSA-N -2 3 360.388 1.853 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]Cc2nc3cc(C(=O)[O-])ccc3[nH]2)s1 ZINC001597702896 988934600 /nfs/dbraw/zinc/93/46/00/988934600.db2.gz QQPJRGBYNOQBAQ-UHFFFAOYSA-N -2 3 366.424 1.759 20 0 FDADHL CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)CC(=O)[O-] ZINC001598085918 990416685 /nfs/dbraw/zinc/41/66/85/990416685.db2.gz UPCPOFGOAXTSBZ-UHFFFAOYSA-N -2 3 372.418 1.592 20 0 FDADHL COc1cccc2c(C(=O)O[C@H]3CCCN(CCC(=O)[O-])C3=O)n[n-]c21 ZINC001599689917 991051644 /nfs/dbraw/zinc/05/16/44/991051644.db2.gz WHEQHUGKPICLFA-LBPRGKRZSA-N -2 3 361.354 1.194 20 0 FDADHL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001598300708 991247541 /nfs/dbraw/zinc/24/75/41/991247541.db2.gz XZEZVNABECNWIO-UHFFFAOYSA-N -2 3 363.399 1.557 20 0 FDADHL CC(C)[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591045840 991428512 /nfs/dbraw/zinc/42/85/12/991428512.db2.gz UCBFUSDDLDMYSH-HNNXBMFYSA-N -2 3 374.397 1.463 20 0 FDADHL CC(C)[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591045840 991428515 /nfs/dbraw/zinc/42/85/15/991428515.db2.gz UCBFUSDDLDMYSH-HNNXBMFYSA-N -2 3 374.397 1.463 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)c(Cl)c1 ZINC001599759668 992102773 /nfs/dbraw/zinc/10/27/73/992102773.db2.gz FYUTUMBSAHKQFD-UHFFFAOYSA-N -2 3 358.803 1.401 20 0 FDADHL CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1F ZINC001598482597 992176075 /nfs/dbraw/zinc/17/60/75/992176075.db2.gz GKWSBHHWEAKXIS-UHFFFAOYSA-N -2 3 356.375 1.922 20 0 FDADHL C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001593175528 994046418 /nfs/dbraw/zinc/04/64/18/994046418.db2.gz POYACRVKYPNHJZ-GHMZBOCLSA-N -2 3 357.366 1.879 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001593175529 994047079 /nfs/dbraw/zinc/04/70/79/994047079.db2.gz POYACRVKYPNHJZ-MNOVXSKESA-N -2 3 357.366 1.879 20 0 FDADHL COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC001599650037 994484471 /nfs/dbraw/zinc/48/44/71/994484471.db2.gz RFRGYDNYDGCFFV-UHFFFAOYSA-N -2 3 367.427 1.681 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1F ZINC001598673618 994803049 /nfs/dbraw/zinc/80/30/49/994803049.db2.gz WCIOPHKYKJTTLR-JOYOIKCWSA-N -2 3 358.391 1.059 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)c(C)o1 ZINC001598674841 994823278 /nfs/dbraw/zinc/82/32/78/994823278.db2.gz ZDONJBGVNLDLHS-UHFFFAOYSA-N -2 3 358.397 1.817 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cncc(C(=O)[O-])c2)ccc1F ZINC001598674849 994824231 /nfs/dbraw/zinc/82/42/31/994824231.db2.gz ZOEABHPHKIKFMT-UHFFFAOYSA-N -2 3 353.331 1.079 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1OCCc2sccc21 ZINC001593347686 994957993 /nfs/dbraw/zinc/95/79/93/994957993.db2.gz POBJEZPDEMOPGC-RDDDGLTNSA-N -2 3 374.465 1.884 20 0 FDADHL C[C@H](Oc1ccccc1CNCc1nc2c(c(=O)[n-]1)COCC2)C(=O)[O-] ZINC001593648800 995998771 /nfs/dbraw/zinc/99/87/71/995998771.db2.gz MUCWCEGJBPOJOX-NSHDSACASA-N -2 3 359.382 1.397 20 0 FDADHL COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c(C)c1OC ZINC001599508418 997252575 /nfs/dbraw/zinc/25/25/75/997252575.db2.gz PGLAVQRMKZWYLE-SECBINFHSA-N -2 3 370.383 1.738 20 0 FDADHL COC1(OC)CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001599094965 997262756 /nfs/dbraw/zinc/26/27/56/997262756.db2.gz NUGGKQMQSXPJJW-UHFFFAOYSA-N -2 3 351.327 1.093 20 0 FDADHL COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001599517244 997411824 /nfs/dbraw/zinc/41/18/24/997411824.db2.gz UOQSMXITHYJFKU-LLVKDONJSA-N -2 3 355.368 1.041 20 0 FDADHL CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001599320048 997565915 /nfs/dbraw/zinc/56/59/15/997565915.db2.gz OYLDBEXKSGXRDT-LURJTMIESA-N -2 3 370.196 1.600 20 0 FDADHL CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)OCCCO1 ZINC001594028215 997584040 /nfs/dbraw/zinc/58/40/40/997584040.db2.gz XKDBZJJRJFGYKK-UHFFFAOYSA-N -2 3 367.782 1.609 20 0 FDADHL COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)oc1C ZINC001598929787 997724194 /nfs/dbraw/zinc/72/41/94/997724194.db2.gz FGIKLIFUYFKCBF-UHFFFAOYSA-N -2 3 357.340 1.453 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCc1ncccc1[O-] ZINC001599330216 997734866 /nfs/dbraw/zinc/73/48/66/997734866.db2.gz PMLSHKYNFISAHW-UHFFFAOYSA-N -2 3 372.786 1.626 20 0 FDADHL COc1cc(C(=O)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc(OC)c1[O-] ZINC001599355494 998172778 /nfs/dbraw/zinc/17/27/78/998172778.db2.gz XCIFOQQAQWHSAT-UHFFFAOYSA-N -2 3 371.349 1.914 20 0 FDADHL COC(=O)c1oc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC001599017760 998953198 /nfs/dbraw/zinc/95/31/98/998953198.db2.gz MBCCCQLLUQVCPV-UHFFFAOYSA-N -2 3 357.340 1.453 20 0 FDADHL Cc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266808799 999237660 /nfs/dbraw/zinc/23/76/60/999237660.db2.gz IDVKESRBNINHQZ-GFCCVEGCSA-N -2 3 373.438 1.839 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnn[n-]3)cc2)cc1C ZINC000647335312 1009615286 /nfs/dbraw/zinc/61/52/86/1009615286.db2.gz BEVWFPOPQYJCEB-UHFFFAOYSA-N -2 3 372.410 1.870 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230275417 178274059 /nfs/dbraw/zinc/27/40/59/178274059.db2.gz VHLXUZBQYRQRNX-JTQLQIEISA-N -2 3 354.197 1.976 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000230101831 178274202 /nfs/dbraw/zinc/27/42/02/178274202.db2.gz GOXVDTUHJATMOZ-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3cccc(C(=O)[O-])c3)cn21 ZINC000518136021 539397998 /nfs/dbraw/zinc/39/79/98/539397998.db2.gz CDHPANZJRWRZFY-GFCCVEGCSA-N -2 3 363.439 2.000 20 0 FDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000263020174 178847565 /nfs/dbraw/zinc/84/75/65/178847565.db2.gz YAKDHVOMKGLDCK-QGZVFWFLSA-N -2 3 361.398 1.505 20 0 FDADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000270489143 180488120 /nfs/dbraw/zinc/48/81/20/180488120.db2.gz LTMLSCLYDMFTNN-UHFFFAOYSA-N -2 3 351.222 1.767 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1 ZINC000530421100 539967166 /nfs/dbraw/zinc/96/71/66/539967166.db2.gz OUGIYMRCTXLLDC-AWEZNQCLSA-N -2 3 373.402 1.924 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000530435385 539972466 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COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000548223824 542591630 /nfs/dbraw/zinc/59/16/30/542591630.db2.gz LNQIIUHUTYCVMJ-LBPRGKRZSA-N -2 3 368.386 1.451 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000548238788 542596665 /nfs/dbraw/zinc/59/66/65/542596665.db2.gz PAIKRFIOFPTNEG-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)s1 ZINC000548246795 542600021 /nfs/dbraw/zinc/60/00/21/542600021.db2.gz KVCNFRDGOHUILZ-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548526042 542690066 /nfs/dbraw/zinc/69/00/66/542690066.db2.gz GVISRJWDZGNEGX-LLVKDONJSA-N -2 3 356.787 1.100 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)cc1OC ZINC000548991215 542818947 /nfs/dbraw/zinc/81/89/47/542818947.db2.gz RVCVZKTYYRBCRB-XLKFXECMSA-N -2 3 361.391 1.621 20 0 FDADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1F ZINC000549520293 542894911 /nfs/dbraw/zinc/89/49/11/542894911.db2.gz NQEVGHURTCOVCR-UKRRQHHQSA-N -2 3 359.419 1.889 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000551936648 543381462 /nfs/dbraw/zinc/38/14/62/543381462.db2.gz WXQQTCODXPOYTI-MRXNPFEDSA-N -2 3 360.395 1.245 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCOC1 ZINC000085856429 172221415 /nfs/dbraw/zinc/22/14/15/172221415.db2.gz JJPNRDCQAIGMNI-VIFPVBQESA-N -2 3 356.219 1.033 20 0 FDADHL C[C@](O)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000097514135 172329869 /nfs/dbraw/zinc/32/98/69/172329869.db2.gz FHKZUJFQCHBXNI-JTQLQIEISA-N -2 3 372.624 1.216 20 0 FDADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-])C1CC1 ZINC000554665463 543847825 /nfs/dbraw/zinc/84/78/25/543847825.db2.gz MDAJDHAAQOMXRS-HQJQHLMTSA-N -2 3 363.233 1.622 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c1 ZINC000554665408 543847983 /nfs/dbraw/zinc/84/79/83/543847983.db2.gz HBYHCMHRHDFVMF-YMTOWFKASA-N -2 3 373.402 1.780 20 0 FDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-])C1CC1 ZINC000554665461 543848057 /nfs/dbraw/zinc/84/80/57/543848057.db2.gz MDAJDHAAQOMXRS-CPCISQLKSA-N -2 3 363.233 1.622 20 0 FDADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)c1cncc([O-])c1 ZINC000557007465 544233201 /nfs/dbraw/zinc/23/32/01/544233201.db2.gz UJQSVLJFQNEBNP-UHFFFAOYSA-N -2 3 371.378 1.630 20 0 FDADHL CCC[C@@](C)(NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)C(=O)[O-] ZINC000557778595 544345739 /nfs/dbraw/zinc/34/57/39/544345739.db2.gz QKOULDBTHVFJDX-CYBMUJFWSA-N -2 3 363.461 1.099 20 0 FDADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000369056898 260287888 /nfs/dbraw/zinc/28/78/88/260287888.db2.gz SVFKWJRSUHJQQG-UHFFFAOYSA-N -3 3 374.378 1.985 20 0 FDADHL CCO[N-]C(=O)C[C@]1(C(=O)[N-]OCC)CCN(C(=O)OC(C)(C)C)C1 ZINC000376783436 261650984 /nfs/dbraw/zinc/65/09/84/261650984.db2.gz VFDLGEFAVHVJIW-MRXNPFEDSA-N -2 3 359.423 1.139 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000408493533 262117124 /nfs/dbraw/zinc/11/71/24/262117124.db2.gz CCTZTGLKFAOTDR-UHFFFAOYSA-N -2 3 360.439 1.979 20 0 FDADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000054294676 523612485 /nfs/dbraw/zinc/61/24/85/523612485.db2.gz DKCHWKUATNZMHN-UHFFFAOYSA-N -2 3 366.399 1.035 20 0 FDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216099 523731839 /nfs/dbraw/zinc/73/18/39/523731839.db2.gz PBIOENSPOWKYMZ-UHFFFAOYSA-N -2 3 373.390 1.121 20 0 FDADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000175823991 525014997 /nfs/dbraw/zinc/01/49/97/525014997.db2.gz JHLJEJGINKKOSK-UHFFFAOYSA-N -2 3 366.255 1.588 20 0 FDADHL CS(=O)(=O)c1nc([N-]C(=O)c2occc2-c2ccc(F)cc2)n[n-]1 ZINC000161950175 525192572 /nfs/dbraw/zinc/19/25/72/525192572.db2.gz NMSMUYYZHPOIOZ-UHFFFAOYSA-N -2 3 350.331 1.860 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc3n2CCCC3)o1 ZINC000162786482 525315649 /nfs/dbraw/zinc/31/56/49/525315649.db2.gz NTRUVUGSYCYGHT-UHFFFAOYSA-N -2 3 367.431 1.537 20 0 FDADHL CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C(=O)c2ccc([O-])cc2)n[n-]1 ZINC000570640892 549356929 /nfs/dbraw/zinc/35/69/29/549356929.db2.gz BEQTTXDLPAZXIV-CYBMUJFWSA-N -2 3 374.397 1.773 20 0 FDADHL CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C(=O)c2ccc([O-])cc2)[n-]1 ZINC000570640892 549356930 /nfs/dbraw/zinc/35/69/30/549356930.db2.gz BEQTTXDLPAZXIV-CYBMUJFWSA-N -2 3 374.397 1.773 20 0 FDADHL CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000570640892 549356931 /nfs/dbraw/zinc/35/69/31/549356931.db2.gz BEQTTXDLPAZXIV-CYBMUJFWSA-N -2 3 374.397 1.773 20 0 FDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000186970358 536250934 /nfs/dbraw/zinc/25/09/34/536250934.db2.gz BTTYJLKECCJRBQ-UHFFFAOYSA-N -2 3 373.438 1.896 20 0 FDADHL C[C@@H](CN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C1CC1)C(=O)[O-] ZINC000262985031 536954924 /nfs/dbraw/zinc/95/49/24/536954924.db2.gz ROTPUWLHSWQVJR-YPMLDQLKSA-N -2 3 359.382 1.067 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263398583 537027616 /nfs/dbraw/zinc/02/76/16/537027616.db2.gz DXCCAEPAPVAQMG-GYSYKLTISA-N -2 3 374.434 1.354 20 0 FDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)[O-] ZINC000276265269 537375659 /nfs/dbraw/zinc/37/56/59/537375659.db2.gz TZNPWMCYIWZTLC-JTQLQIEISA-N -2 3 364.445 1.178 20 0 FDADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000314158199 537607558 /nfs/dbraw/zinc/60/75/58/537607558.db2.gz SHMBWTCHYXWRHF-LLVKDONJSA-N -2 3 364.210 1.691 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000318474877 537611292 /nfs/dbraw/zinc/61/12/92/537611292.db2.gz KIPQVSZIPKXSSJ-MRVPVSSYSA-N -2 3 361.725 1.737 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C)C1 ZINC000323084959 537615346 /nfs/dbraw/zinc/61/53/46/537615346.db2.gz QSJLDKRTSQEAOY-WCBMZHEXSA-N -2 3 363.819 1.893 20 0 FDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000323891782 537618910 /nfs/dbraw/zinc/61/89/10/537618910.db2.gz NQAKGDHWLKHZHU-CQSZACIVSA-N -2 3 353.371 1.814 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000324831811 537621646 /nfs/dbraw/zinc/62/16/46/537621646.db2.gz CGEZYOBKXQBVSU-LLVKDONJSA-N -2 3 368.440 1.184 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000325578029 537627022 /nfs/dbraw/zinc/62/70/22/537627022.db2.gz NNSYPXXSSAOWLG-KGLIPLIRSA-N -2 3 354.428 1.821 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cnc(Cl)c(F)c1 ZINC000372961377 538069280 /nfs/dbraw/zinc/06/92/80/538069280.db2.gz ICUPDWDWLHLINY-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cnc(Cl)c(F)c1 ZINC000372961377 538069285 /nfs/dbraw/zinc/06/92/85/538069285.db2.gz ICUPDWDWLHLINY-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCC[C@H]1C(=O)[O-] ZINC000432106905 538118897 /nfs/dbraw/zinc/11/88/97/538118897.db2.gz JFKKEDOIXBUTIB-BBRMVZONSA-N -2 3 354.428 1.821 20 0 FDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433530046 538252133 /nfs/dbraw/zinc/25/21/33/538252133.db2.gz LYHJJCNNPMYCJZ-UHFFFAOYSA-N -3 3 364.379 1.641 20 0 FDADHL CCC(CC)(CNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)C(=O)[O-] ZINC000424422292 538296565 /nfs/dbraw/zinc/29/65/65/538296565.db2.gz FGFDNRBMSDFUPD-ZBEGNZNMSA-N -2 3 368.434 1.040 20 0 FDADHL COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)CCC(=O)[O-] ZINC000422657586 538333578 /nfs/dbraw/zinc/33/35/78/538333578.db2.gz MALMAUIBENQGCV-UHFFFAOYSA-N -2 3 370.427 1.605 20 0 FDADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000421162113 538384866 /nfs/dbraw/zinc/38/48/66/538384866.db2.gz YRTYUVRKJAZWBF-ZDUSSCGKSA-N -2 3 355.420 1.171 20 0 FDADHL CC(C)Oc1cccnc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000431168536 538403597 /nfs/dbraw/zinc/40/35/97/538403597.db2.gz PESWZKPDYQPNPB-UHFFFAOYSA-N -2 3 357.417 1.344 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000477498035 538647602 /nfs/dbraw/zinc/64/76/02/538647602.db2.gz GTKBQVWZJLKBLU-UHFFFAOYSA-N -2 3 370.358 1.836 20 0 FDADHL CC(C)[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ncccc1[O-] ZINC000489632421 538827434 /nfs/dbraw/zinc/82/74/34/538827434.db2.gz QIIHNBJQMLITEB-GFCCVEGCSA-N -2 3 358.398 1.414 20 0 FDADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cn(C(C)C)cn2)sc1C(=O)[O-] ZINC000563080176 546392581 /nfs/dbraw/zinc/39/25/81/546392581.db2.gz JPRNCYRBQFEUEO-SECBINFHSA-N -2 3 358.445 1.967 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563970718 546760466 /nfs/dbraw/zinc/76/04/66/546760466.db2.gz LRXMFGNNMQCSGV-UHFFFAOYSA-N -2 3 354.370 1.355 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C3(C(=O)[O-])CCSCC3)cn21 ZINC000564081244 546799662 /nfs/dbraw/zinc/79/96/62/546799662.db2.gz NAVVHSPRCMLXRL-JTQLQIEISA-N -2 3 359.473 1.409 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000564922941 547105699 /nfs/dbraw/zinc/10/56/99/547105699.db2.gz IPBPPURGIFPWAN-UHFFFAOYSA-N -2 3 372.424 1.380 20 0 FDADHL COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000564924064 547107068 /nfs/dbraw/zinc/10/70/68/547107068.db2.gz UDGUISKBZYGFPO-SNVBAGLBSA-N -2 3 355.368 1.732 20 0 FDADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cncc([O-])c1 ZINC000566025978 547572114 /nfs/dbraw/zinc/57/21/14/547572114.db2.gz SGGJSDYJZNHKSO-UHFFFAOYSA-N -2 3 373.793 1.288 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000566312874 547706987 /nfs/dbraw/zinc/70/69/87/547706987.db2.gz XQIWZNXHZQVQHM-SECBINFHSA-N -2 3 370.349 1.802 20 0 FDADHL Cn1[n-]c([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)cc2[O-])nc1=N ZINC000567508488 548145391 /nfs/dbraw/zinc/14/53/91/548145391.db2.gz KFTVEFBZZQMSOD-GFCCVEGCSA-N -2 3 353.386 1.096 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000568001955 548355597 /nfs/dbraw/zinc/35/55/97/548355597.db2.gz MOPZSRVLACKSRA-VIFPVBQESA-N -2 3 363.461 1.659 20 0 FDADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000568247326 548457423 /nfs/dbraw/zinc/45/74/23/548457423.db2.gz JGPOTUHABUPYLY-JTQLQIEISA-N -2 3 356.444 1.901 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000569220296 548840186 /nfs/dbraw/zinc/84/01/86/548840186.db2.gz YHQPACYSUAHTLR-OAHLLOKOSA-N -2 3 355.391 1.711 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000569453108 548922518 /nfs/dbraw/zinc/92/25/18/548922518.db2.gz RVQUQIYAPPLQIT-JTQLQIEISA-N -2 3 351.446 1.794 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]CCc1nc(CC(=O)[O-])cs1 ZINC000570166954 549181917 /nfs/dbraw/zinc/18/19/17/549181917.db2.gz RLTFZVAJSODWSH-UHFFFAOYSA-N -2 3 371.440 1.085 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000570777543 549405444 /nfs/dbraw/zinc/40/54/44/549405444.db2.gz MKZHZMGXVCFIQF-QMMMGPOBSA-N -2 3 372.624 1.480 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cs1 ZINC000571955812 549811052 /nfs/dbraw/zinc/81/10/52/549811052.db2.gz AZFWTKQMLLJRKL-LURJTMIESA-N -2 3 357.356 1.169 20 0 FDADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000572086318 549838117 /nfs/dbraw/zinc/83/81/17/549838117.db2.gz BPVXFRHFUVNFJC-UHFFFAOYSA-N -2 3 368.798 1.867 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(F)cc1Br ZINC000572821646 550001640 /nfs/dbraw/zinc/00/16/40/550001640.db2.gz AEFDLABEEMJROQ-VIFPVBQESA-N -2 3 370.196 1.011 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000573962458 550238577 /nfs/dbraw/zinc/23/85/77/550238577.db2.gz GEGAGIOGUNPONS-VIFPVBQESA-N -2 3 354.409 1.686 20 0 FDADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000574882208 550386292 /nfs/dbraw/zinc/38/62/92/550386292.db2.gz RPXWUQPEBZFSKV-GFCCVEGCSA-N -2 3 364.826 1.697 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(C)nn(C)c2C)c(F)c1 ZINC000576563712 550562418 /nfs/dbraw/zinc/56/24/18/550562418.db2.gz DFSXYXRVGYEYDQ-CQSZACIVSA-N -2 3 371.390 1.289 20 0 FDADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000578641018 550785937 /nfs/dbraw/zinc/78/59/37/550785937.db2.gz GXUGEVWCPOAKEP-JVXZTZIISA-N -2 3 360.363 1.284 20 0 FDADHL CCO[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000579004273 550825345 /nfs/dbraw/zinc/82/53/45/550825345.db2.gz XCKDVMHFOMMWHS-NSHDSACASA-N -2 3 356.425 1.897 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000580034365 550935693 /nfs/dbraw/zinc/93/56/93/550935693.db2.gz MTMBALQLABBMGV-LLVKDONJSA-N -2 3 373.818 1.285 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCSC1 ZINC000580323389 550967269 /nfs/dbraw/zinc/96/72/69/550967269.db2.gz WHFGRBNVHBMJSS-JTQLQIEISA-N -2 3 356.347 1.339 20 0 FDADHL Cc1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000580528671 550991395 /nfs/dbraw/zinc/99/13/95/550991395.db2.gz LQXUHVWGHBNNAW-AWEZNQCLSA-N -2 3 365.393 1.531 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])Oc1ccccc1Cl ZINC000581605453 551110739 /nfs/dbraw/zinc/11/07/39/551110739.db2.gz DUBRNDCBKWXWIK-SECBINFHSA-N -2 3 373.818 1.897 20 0 FDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-])C1CC1 ZINC000581654639 551117230 /nfs/dbraw/zinc/11/72/30/551117230.db2.gz BUIUSJYJHMVBNR-RDDDGLTNSA-N -2 3 352.334 1.878 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])cn1C ZINC000582179769 551187280 /nfs/dbraw/zinc/18/72/80/551187280.db2.gz WKKNKTLZAJFBEY-NSHDSACASA-N -2 3 361.464 1.480 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)cn1C ZINC000583009020 551290679 /nfs/dbraw/zinc/29/06/79/551290679.db2.gz ZNQNKSZGIXENBI-ZDUSSCGKSA-N -2 3 373.381 1.926 20 0 FDADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000583192581 551316988 /nfs/dbraw/zinc/31/69/88/551316988.db2.gz VFAVLQSTAATNKM-WDMOLILDSA-N -2 3 373.475 1.716 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2cccc(F)c2)on1 ZINC000583202900 551318494 /nfs/dbraw/zinc/31/84/94/551318494.db2.gz XACRGYNPUMGOAW-HNNXBMFYSA-N -2 3 356.375 1.932 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000584778232 551546794 /nfs/dbraw/zinc/54/67/94/551546794.db2.gz BNLXMSSAIHGYPT-MRXNPFEDSA-N -2 3 367.427 1.580 20 0 FDADHL COCCOCCS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000586750431 551614102 /nfs/dbraw/zinc/61/41/02/551614102.db2.gz NNIJVKVLZIQEEN-UHFFFAOYSA-N -2 3 367.807 1.237 20 0 FDADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)OC)c1[O-])OC ZINC000591491376 551874930 /nfs/dbraw/zinc/87/49/30/551874930.db2.gz CQNLCRXJUYVSQG-SECBINFHSA-N -2 3 351.808 1.999 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)CC ZINC000592446451 551996667 /nfs/dbraw/zinc/99/66/67/551996667.db2.gz MHMRITNWHWXGAH-LBPRGKRZSA-N -2 3 361.416 1.796 20 0 FDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614913931 555136224 /nfs/dbraw/zinc/13/62/24/555136224.db2.gz GJQICEINJOSGNO-UHFFFAOYSA-N -2 3 361.789 1.617 20 0 FDADHL Cc1cnc(C(=O)N[C@@]2(C)CCN(C(=O)c3ncc(C)cc3[O-])C2)c([O-])c1 ZINC000614985639 555144998 /nfs/dbraw/zinc/14/49/98/555144998.db2.gz UYTRTIHMEISKND-IBGZPJMESA-N -2 3 370.409 1.539 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)c[n-]1 ZINC000618906252 555694197 /nfs/dbraw/zinc/69/41/97/555694197.db2.gz BPBQWGLMAKNACM-UHFFFAOYSA-N -2 3 371.371 1.384 20 0 FDADHL C[C@@H]1[C@@H](C)N(C(=O)c2cncc([O-])c2)CCN1C(=O)c1cncc([O-])c1 ZINC000620745894 555978152 /nfs/dbraw/zinc/97/81/52/555978152.db2.gz VINKZCUCFUQGKS-VXGBXAGGSA-N -2 3 356.382 1.263 20 0 FDADHL C[C@]1(c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000621567426 556113357 /nfs/dbraw/zinc/11/33/57/556113357.db2.gz SQVYOXIXXSQXPD-SCLBCKFNSA-N -2 3 359.382 1.211 20 0 FDADHL C/C=C\C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000625557702 556853141 /nfs/dbraw/zinc/85/31/41/556853141.db2.gz RPQNYWIGTFNBGB-HYXAFXHYSA-N -2 3 350.437 1.832 20 0 FDADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2)C1CC1 ZINC000629290839 557753696 /nfs/dbraw/zinc/75/36/96/557753696.db2.gz VSEZZQRLGWVVFS-AWEZNQCLSA-N -2 3 371.411 1.713 20 0 FDADHL CCC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)OCC ZINC000629332453 557766556 /nfs/dbraw/zinc/76/65/56/557766556.db2.gz HNEUZOOSZXDFNV-VIFPVBQESA-N -2 3 351.446 1.938 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCCOC2)c(Cl)cc1F ZINC000630433713 557909168 /nfs/dbraw/zinc/90/91/68/557909168.db2.gz XFGJZVINCYGHHI-AWEZNQCLSA-N -2 3 365.810 1.947 20 0 FDADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735983959 598923979 /nfs/dbraw/zinc/92/39/79/598923979.db2.gz AINZNADSBSLDCC-LLVKDONJSA-N -2 3 363.443 1.888 20 0 FDADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735983959 598923981 /nfs/dbraw/zinc/92/39/81/598923981.db2.gz AINZNADSBSLDCC-LLVKDONJSA-N -2 3 363.443 1.888 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000737297957 598976252 /nfs/dbraw/zinc/97/62/52/598976252.db2.gz HGRWMXBXKTVWME-VOTSOKGWSA-N -2 3 359.367 1.286 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000737297957 598976253 /nfs/dbraw/zinc/97/62/53/598976253.db2.gz HGRWMXBXKTVWME-VOTSOKGWSA-N -2 3 359.367 1.286 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736191532 599220770 /nfs/dbraw/zinc/22/07/70/599220770.db2.gz ZXYXWMVUFWZDFR-MRVPVSSYSA-N -2 3 374.382 1.356 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736191532 599220772 /nfs/dbraw/zinc/22/07/72/599220772.db2.gz ZXYXWMVUFWZDFR-MRVPVSSYSA-N -2 3 374.382 1.356 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000821910876 607327965 /nfs/dbraw/zinc/32/79/65/607327965.db2.gz JLFAOSKYOIRCCD-UHFFFAOYSA-N -2 3 355.376 1.877 20 0 FDADHL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738209469 598309126 /nfs/dbraw/zinc/30/91/26/598309126.db2.gz OTRLUAZRMZVZCM-YUELXQCFSA-N -2 3 371.397 1.490 20 0 FDADHL O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737792990 598417091 /nfs/dbraw/zinc/41/70/91/598417091.db2.gz SYNCMMKZLBYTQL-UHFFFAOYSA-N -2 3 367.818 1.825 20 0 FDADHL O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737792990 598417092 /nfs/dbraw/zinc/41/70/92/598417092.db2.gz SYNCMMKZLBYTQL-UHFFFAOYSA-N -2 3 367.818 1.825 20 0 FDADHL Cn1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)n1 ZINC000737612493 598548579 /nfs/dbraw/zinc/54/85/79/598548579.db2.gz KJIHATOWZRQDOY-UHFFFAOYSA-N -2 3 371.329 1.002 20 0 FDADHL COc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737156787 598607270 /nfs/dbraw/zinc/60/72/70/598607270.db2.gz ZRVRRZGRWKSNHX-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737156787 598607272 /nfs/dbraw/zinc/60/72/72/598607272.db2.gz ZRVRRZGRWKSNHX-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736951069 598637818 /nfs/dbraw/zinc/63/78/18/598637818.db2.gz MNVNJJQVZXGZLT-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737825377 598734829 /nfs/dbraw/zinc/73/48/29/598734829.db2.gz YUEFQLCZDFBEQQ-LBPRGKRZSA-N -2 3 365.415 1.021 20 0 FDADHL O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737825377 598734830 /nfs/dbraw/zinc/73/48/30/598734830.db2.gz YUEFQLCZDFBEQQ-LBPRGKRZSA-N -2 3 365.415 1.021 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737236993 598785627 /nfs/dbraw/zinc/78/56/27/598785627.db2.gz XXSGVMADSONFKA-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737236993 598785629 /nfs/dbraw/zinc/78/56/29/598785629.db2.gz XXSGVMADSONFKA-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)cc12 ZINC000822223802 599304468 /nfs/dbraw/zinc/30/44/68/599304468.db2.gz KXYBRJOKVRQESY-UHFFFAOYSA-N -2 3 371.382 1.821 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822685065 599307374 /nfs/dbraw/zinc/30/73/74/599307374.db2.gz RCFYYWZTXFEEEY-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822685065 599307377 /nfs/dbraw/zinc/30/73/77/599307377.db2.gz RCFYYWZTXFEEEY-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823284830 599627202 /nfs/dbraw/zinc/62/72/02/599627202.db2.gz KNGUHWHGUOSNBM-UHFFFAOYSA-N -2 3 373.394 1.005 20 0 FDADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823284830 599627203 /nfs/dbraw/zinc/62/72/03/599627203.db2.gz KNGUHWHGUOSNBM-UHFFFAOYSA-N -2 3 373.394 1.005 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)cc2)o1 ZINC000739420002 599768906 /nfs/dbraw/zinc/76/89/06/599768906.db2.gz LCLYPRRXIQNTDK-UHFFFAOYSA-N -2 3 372.786 1.340 20 0 FDADHL CC(=O)Nc1cccc(OCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736168124 599779101 /nfs/dbraw/zinc/77/91/01/599779101.db2.gz BHAVWGGARGATQU-UHFFFAOYSA-N -2 3 368.367 1.294 20 0 FDADHL Cc1cccc(C[C@@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)C(=O)[O-])c1 ZINC000738704145 600063971 /nfs/dbraw/zinc/06/39/71/600063971.db2.gz SUJVJRLDFDLZIB-HNNXBMFYSA-N -2 3 357.410 1.710 20 0 FDADHL COC(=O)c1cc(NC(=O)COC(=O)c2cncc([O-])c2)cc(C(=O)[O-])c1 ZINC000737665319 600178122 /nfs/dbraw/zinc/17/81/22/600178122.db2.gz GDQZRXOLTNBERQ-UHFFFAOYSA-N -2 3 374.305 1.068 20 0 FDADHL O=C([O-])[C@H](CNC(=O)c1nnc2ccccc2c1[O-])Cc1ccc(O)cc1 ZINC000739406580 600179717 /nfs/dbraw/zinc/17/97/17/600179717.db2.gz BCPOFIHOOFAUCM-LBPRGKRZSA-N -2 3 367.361 1.714 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000392967890 600229636 /nfs/dbraw/zinc/22/96/36/600229636.db2.gz LPDRAPDBZDLMJI-HNNXBMFYSA-N -2 3 363.391 1.719 20 0 FDADHL O=C([O-])c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000738482974 600262966 /nfs/dbraw/zinc/26/29/66/600262966.db2.gz PIWAFMIRQZOJLO-UHFFFAOYSA-N -2 3 368.143 1.048 20 0 FDADHL Cc1nc(C)c(CCC(=O)Nc2nnc(CCCC(=O)[O-])s2)c(=O)[n-]1 ZINC000738846476 600540755 /nfs/dbraw/zinc/54/07/55/600540755.db2.gz CMIYVBAEHZWFBQ-UHFFFAOYSA-N -2 3 365.415 1.629 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)o1 ZINC000740175668 600636836 /nfs/dbraw/zinc/63/68/36/600636836.db2.gz SJNJJNCCOQAXAB-LBPRGKRZSA-N -2 3 350.396 1.925 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1C ZINC000484539449 600814116 /nfs/dbraw/zinc/81/41/16/600814116.db2.gz LSSRSNSQMUKJKR-UHFFFAOYSA-N -2 3 356.331 1.450 20 0 FDADHL CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000830596210 600829557 /nfs/dbraw/zinc/82/95/57/600829557.db2.gz GNDNAAXQCSIKCF-UHFFFAOYSA-N -2 3 366.399 1.014 20 0 FDADHL O=C([O-])CCc1nnc([N-]C(=O)c2cn(Cc3cccs3)nn2)s1 ZINC000833243184 600891827 /nfs/dbraw/zinc/89/18/27/600891827.db2.gz YLGCFBYNRUKBRH-UHFFFAOYSA-N -2 3 364.412 1.509 20 0 FDADHL Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1C(=O)[O-] ZINC000832947401 601140801 /nfs/dbraw/zinc/14/08/01/601140801.db2.gz VTRWUHSAIWOSQP-UHFFFAOYSA-N -2 3 357.366 1.950 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)s1 ZINC000831331232 601216766 /nfs/dbraw/zinc/21/67/66/601216766.db2.gz DGJIOVBYVJCJSH-ZDUSSCGKSA-N -2 3 363.413 1.075 20 0 FDADHL COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831147944 601258239 /nfs/dbraw/zinc/25/82/39/601258239.db2.gz MEPVARSJYTWHTB-UHFFFAOYSA-N -2 3 365.354 1.673 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000273683192 601261537 /nfs/dbraw/zinc/26/15/37/601261537.db2.gz KZHUCGMCLATCGH-ZDUSSCGKSA-N -2 3 369.395 1.961 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)o1 ZINC000683300701 601272862 /nfs/dbraw/zinc/27/28/62/601272862.db2.gz UMQPYIUWWVJJPD-JTQLQIEISA-N -2 3 372.424 1.503 20 0 FDADHL O=C([O-])C1CCN(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000833349451 601447181 /nfs/dbraw/zinc/44/71/81/601447181.db2.gz MKBYPTLQKYHDCO-UHFFFAOYSA-N -2 3 359.737 1.665 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000766845155 601628488 /nfs/dbraw/zinc/62/84/88/601628488.db2.gz GSVMBENPSQGXCH-CYBMUJFWSA-N -2 3 372.418 1.592 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1F ZINC000833294055 601802316 /nfs/dbraw/zinc/80/23/16/601802316.db2.gz MUWZPXIQJYCKRY-VIFPVBQESA-N -2 3 365.354 1.137 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(N(C)C)n1 ZINC000826291720 607532374 /nfs/dbraw/zinc/53/23/74/607532374.db2.gz SKIBNLPJGHNSPS-UHFFFAOYSA-N -2 3 373.442 1.745 20 0 FDADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825755188 607535894 /nfs/dbraw/zinc/53/58/94/607535894.db2.gz RKIZOUGRGGMKDI-UHFFFAOYSA-N -2 3 354.392 1.826 20 0 FDADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825755188 607535896 /nfs/dbraw/zinc/53/58/96/607535896.db2.gz RKIZOUGRGGMKDI-UHFFFAOYSA-N -2 3 354.392 1.826 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(Br)o1 ZINC000109546587 602153481 /nfs/dbraw/zinc/15/34/81/602153481.db2.gz ZCQQAJZHAONDLP-ZCFIWIBFSA-N -2 3 354.178 1.198 20 0 FDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000738071795 602173373 /nfs/dbraw/zinc/17/33/73/602173373.db2.gz WHIYVBISEGYHBL-RXMQYKEDSA-N -2 3 356.169 1.348 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)c([O-])c1 ZINC000740108585 602258167 /nfs/dbraw/zinc/25/81/67/602258167.db2.gz WZXUXYUCKCSDTB-ZDUSSCGKSA-N -2 3 363.414 1.421 20 0 FDADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000740517995 602594065 /nfs/dbraw/zinc/59/40/65/602594065.db2.gz CIKYIVGTOLSPRK-SSDOTTSWSA-N -2 3 354.215 1.809 20 0 FDADHL CN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])nc2)CC1 ZINC000739737243 602850762 /nfs/dbraw/zinc/85/07/62/602850762.db2.gz WEYFUVPJSLBRCZ-UHFFFAOYSA-N -2 3 371.397 1.881 20 0 FDADHL O=C([O-])N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832009772 603108951 /nfs/dbraw/zinc/10/89/51/603108951.db2.gz OXALOBRZEWQZAK-MRVPVSSYSA-N -2 3 352.334 1.915 20 0 FDADHL O=C([O-])N(CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)CC1CC1 ZINC000831821869 603474140 /nfs/dbraw/zinc/47/41/40/603474140.db2.gz YTOXQUARJJFGBR-UHFFFAOYSA-N -2 3 361.398 1.067 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)oc1C ZINC000828760830 603492096 /nfs/dbraw/zinc/49/20/96/603492096.db2.gz ICFDBQYYHRHURI-JTQLQIEISA-N -2 3 360.388 1.043 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)[O-])c(C)o1 ZINC000828580165 603553222 /nfs/dbraw/zinc/55/32/22/603553222.db2.gz WGMOFOLDPPHEDR-JOYOIKCWSA-N -2 3 373.431 1.004 20 0 FDADHL O=C([O-])Cn1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000833276812 604340250 /nfs/dbraw/zinc/34/02/50/604340250.db2.gz AVXFDTJWJFFEQE-UHFFFAOYSA-N -2 3 369.175 1.758 20 0 FDADHL CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000824176039 604634155 /nfs/dbraw/zinc/63/41/55/604634155.db2.gz IGFGFZPQVYWNCS-KRWDZBQOSA-N -2 3 362.386 1.764 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)cc1F ZINC000833744338 604703720 /nfs/dbraw/zinc/70/37/20/604703720.db2.gz ATUBCDSKASGAGU-UHFFFAOYSA-N -2 3 351.396 1.902 20 0 FDADHL CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833667469 605044881 /nfs/dbraw/zinc/04/48/81/605044881.db2.gz KUDZWESFEMLVSA-JYFUKTADSA-N -2 3 366.486 1.199 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000833508977 605048563 /nfs/dbraw/zinc/04/85/63/605048563.db2.gz YKBSFEAZQBFDOW-SECBINFHSA-N -2 3 364.445 1.486 20 0 FDADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000827532228 605156834 /nfs/dbraw/zinc/15/68/34/605156834.db2.gz RZVPVFFMBNMLNB-ZETCQYMHSA-N -2 3 364.139 1.982 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]CCc2ccc(NC(=O)[O-])cc2)nc1Cl ZINC000831018673 605184915 /nfs/dbraw/zinc/18/49/15/605184915.db2.gz MOGBAZCVXVBFKS-UHFFFAOYSA-N -2 3 358.807 1.684 20 0 FDADHL C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@H](C)O1 ZINC000833620775 605192044 /nfs/dbraw/zinc/19/20/44/605192044.db2.gz FJZHOPGSWBJRPO-QWRGUYRKSA-N -2 3 360.432 1.144 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833436465 605204130 /nfs/dbraw/zinc/20/41/30/605204130.db2.gz HVXYEFNSJXRIIL-NSHDSACASA-N -2 3 374.415 1.656 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])c([O-])c1 ZINC000827342716 605310301 /nfs/dbraw/zinc/31/03/01/605310301.db2.gz DBCPHRHZTGSNRT-LLVKDONJSA-N -2 3 368.411 1.993 20 0 FDADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000739927807 605630773 /nfs/dbraw/zinc/63/07/73/605630773.db2.gz RNIGQNDKBBTGPR-ZETCQYMHSA-N -2 3 354.215 1.809 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC2CN(C(=O)[O-])C2)s1 ZINC000833898925 605726189 /nfs/dbraw/zinc/72/61/89/605726189.db2.gz XCNKLFJTGXCZFC-UHFFFAOYSA-N -2 3 369.262 1.707 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833424473 605817619 /nfs/dbraw/zinc/81/76/19/605817619.db2.gz IWQSZPOOUFIRGJ-LBPRGKRZSA-N -2 3 361.391 1.531 20 0 FDADHL O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000834042323 605884489 /nfs/dbraw/zinc/88/44/89/605884489.db2.gz RTQQLVDHXJKWJH-CQSZACIVSA-N -2 3 361.398 1.018 20 0 FDADHL COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cc(OC)c1[O-] ZINC000833885917 605936018 /nfs/dbraw/zinc/93/60/18/605936018.db2.gz PJJBOMXVEHIWHH-ZYHUDNBSSA-N -2 3 352.387 1.966 20 0 FDADHL COc1cc(C(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885712 606008031 /nfs/dbraw/zinc/00/80/31/606008031.db2.gz MOAWTLAMFHACOD-LLVKDONJSA-N -2 3 352.387 1.871 20 0 FDADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823265791 606197606 /nfs/dbraw/zinc/19/76/06/606197606.db2.gz GLKJJSCRSIWVJS-UHFFFAOYSA-N -2 3 362.353 1.287 20 0 FDADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823265791 606197607 /nfs/dbraw/zinc/19/76/07/606197607.db2.gz GLKJJSCRSIWVJS-UHFFFAOYSA-N -2 3 362.353 1.287 20 0 FDADHL Cc1sc2ncn([N-]C(=O)c3ccc(-c4nn[n-]n4)s3)c(=O)c2c1C ZINC000822563187 606520384 /nfs/dbraw/zinc/52/03/84/606520384.db2.gz GKYUVDFVONLLOS-UHFFFAOYSA-N -2 3 373.423 1.700 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000822620516 606711216 /nfs/dbraw/zinc/71/12/16/606711216.db2.gz USGTYDVLYKYZJL-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C ZINC000821846649 607026408 /nfs/dbraw/zinc/02/64/08/607026408.db2.gz WVMOESPVDJSNCC-UHFFFAOYSA-N -2 3 352.401 1.441 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821838786 607035328 /nfs/dbraw/zinc/03/53/28/607035328.db2.gz PICHOZPMMHMZAM-UHFFFAOYSA-N -2 3 365.346 1.521 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821838786 607035330 /nfs/dbraw/zinc/03/53/30/607035330.db2.gz PICHOZPMMHMZAM-UHFFFAOYSA-N -2 3 365.346 1.521 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000822222907 607097110 /nfs/dbraw/zinc/09/71/10/607097110.db2.gz XQMKUBLIEOWELP-PWSUYJOCSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000822222907 607097111 /nfs/dbraw/zinc/09/71/11/607097111.db2.gz XQMKUBLIEOWELP-PWSUYJOCSA-N -2 3 363.443 1.806 20 0 FDADHL O=C([O-])[C@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823036737 607110817 /nfs/dbraw/zinc/11/08/17/607110817.db2.gz JXKITZIRUCKBCX-OAHLLOKOSA-N -2 3 367.365 1.230 20 0 FDADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000156897442 607826770 /nfs/dbraw/zinc/82/67/70/607826770.db2.gz HHQXEVYRAILKGR-UHFFFAOYSA-N -2 3 361.431 1.526 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000263570400 608011172 /nfs/dbraw/zinc/01/11/72/608011172.db2.gz ZZZALDMRUHDCQO-LLVKDONJSA-N -2 3 373.822 1.298 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000263570400 608011173 /nfs/dbraw/zinc/01/11/73/608011173.db2.gz ZZZALDMRUHDCQO-LLVKDONJSA-N -2 3 373.822 1.298 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315598 608141345 /nfs/dbraw/zinc/14/13/45/608141345.db2.gz NLPQCBHBWGGHLU-DAXSKMNVSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315598 608141346 /nfs/dbraw/zinc/14/13/46/608141346.db2.gz NLPQCBHBWGGHLU-DAXSKMNVSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc2n[nH]cc21 ZINC000826271520 608267438 /nfs/dbraw/zinc/26/74/38/608267438.db2.gz VSHKUZSGOKDRNF-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL Cc1oncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826349826 608529074 /nfs/dbraw/zinc/52/90/74/608529074.db2.gz WCYULXVNBHHVNF-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL Cc1oncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826349826 608529075 /nfs/dbraw/zinc/52/90/75/608529075.db2.gz WCYULXVNBHHVNF-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(C)(C)C1 ZINC000826279279 609404726 /nfs/dbraw/zinc/40/47/26/609404726.db2.gz LSJWVEQAEAUEOA-GFCCVEGCSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(C)(C)C1 ZINC000826279279 609404727 /nfs/dbraw/zinc/40/47/27/609404727.db2.gz LSJWVEQAEAUEOA-GFCCVEGCSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000826279910 609499998 /nfs/dbraw/zinc/49/99/98/609499998.db2.gz HAZRWYOVEZSSSJ-UHFFFAOYSA-N -2 3 362.419 1.322 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000381770376 678770261 /nfs/dbraw/zinc/77/02/61/678770261.db2.gz BAEZFODTUOSGJD-MRVPVSSYSA-N -2 3 372.624 1.480 20 0 FDADHL CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273783683 674571213 /nfs/dbraw/zinc/57/12/13/674571213.db2.gz UBTHHHPQLANYRK-UHFFFAOYSA-N -2 3 369.226 1.496 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)ccc1Br ZINC000049152745 671090353 /nfs/dbraw/zinc/09/03/53/671090353.db2.gz DQUJLWUYDMVPST-UHFFFAOYSA-N -2 3 362.249 1.660 20 0 FDADHL COCCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1 ZINC000065833019 671334753 /nfs/dbraw/zinc/33/47/53/671334753.db2.gz FTTFHRFRIMJXQA-UHFFFAOYSA-N -2 3 357.432 1.147 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1OCC 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ZINC000629333739 557766851 /nfs/dbraw/zinc/76/68/51/557766851.db2.gz AXOXTWFWPIXDPJ-LBPRGKRZSA-N -2 3 363.439 1.886 20 0 FDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736352178 598858183 /nfs/dbraw/zinc/85/81/83/598858183.db2.gz XBKBGQGIYIAVGQ-SNVBAGLBSA-N -2 3 367.431 1.269 20 0 FDADHL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1C ZINC000737512114 598891367 /nfs/dbraw/zinc/89/13/67/598891367.db2.gz RVEILRYDTZUIFL-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])s1 ZINC000261766423 597054312 /nfs/dbraw/zinc/05/43/12/597054312.db2.gz YMDQAUSETDHIEM-QMMMGPOBSA-N -2 3 365.429 1.321 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1F ZINC000769528556 597095485 /nfs/dbraw/zinc/09/54/85/597095485.db2.gz VIHJJUOIYVYYDR-JTQLQIEISA-N -2 3 358.391 1.061 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1ccccc1-c1nn[n-]n1 ZINC000738342114 599263042 /nfs/dbraw/zinc/26/30/42/599263042.db2.gz LEKPICRERWUWHX-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1(C(F)(F)F)CC1 ZINC000738139701 598307646 /nfs/dbraw/zinc/30/76/46/598307646.db2.gz NWNRPNWXQVDFKL-UHFFFAOYSA-N -2 3 361.305 1.014 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1(C(F)(F)F)CC1 ZINC000738139701 598307647 /nfs/dbraw/zinc/30/76/47/598307647.db2.gz NWNRPNWXQVDFKL-UHFFFAOYSA-N -2 3 361.305 1.014 20 0 FDADHL Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737219907 598414610 /nfs/dbraw/zinc/41/46/10/598414610.db2.gz UGNOWFMFRVUFPE-UHFFFAOYSA-N -2 3 366.790 1.275 20 0 FDADHL Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737219907 598414612 /nfs/dbraw/zinc/41/46/12/598414612.db2.gz UGNOWFMFRVUFPE-UHFFFAOYSA-N -2 3 366.790 1.275 20 0 FDADHL COc1cccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737141029 598492751 /nfs/dbraw/zinc/49/27/51/598492751.db2.gz JELACJLLAZVOMA-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1n[nH]c(=O)[n-]1 ZINC000738171122 598562620 /nfs/dbraw/zinc/56/26/20/598562620.db2.gz BOFTVLVTSRXFMN-UHFFFAOYSA-N -2 3 364.325 1.735 20 0 FDADHL O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1n[nH]c(=O)[n-]1 ZINC000738171122 598562622 /nfs/dbraw/zinc/56/26/22/598562622.db2.gz BOFTVLVTSRXFMN-UHFFFAOYSA-N -2 3 364.325 1.735 20 0 FDADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737271877 598607322 /nfs/dbraw/zinc/60/73/22/598607322.db2.gz YFTNXFDKZCNRJT-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736421971 598785152 /nfs/dbraw/zinc/78/51/52/598785152.db2.gz DFWVEUGQJWIEIJ-NSHDSACASA-N -2 3 351.432 1.291 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736421971 598785153 /nfs/dbraw/zinc/78/51/53/598785153.db2.gz DFWVEUGQJWIEIJ-NSHDSACASA-N -2 3 351.432 1.291 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736168836 598801446 /nfs/dbraw/zinc/80/14/46/598801446.db2.gz KSSHBQXWESGZML-SNVBAGLBSA-N -2 3 367.431 1.126 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nnc1C ZINC000737280682 599362244 /nfs/dbraw/zinc/36/22/44/599362244.db2.gz OQWSGBAYRLBHRN-UHFFFAOYSA-N -2 3 365.806 1.728 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nnc1C ZINC000737280682 599362246 /nfs/dbraw/zinc/36/22/46/599362246.db2.gz OQWSGBAYRLBHRN-UHFFFAOYSA-N -2 3 365.806 1.728 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819866635 599621190 /nfs/dbraw/zinc/62/11/90/599621190.db2.gz OMSMCJHYHCFWRH-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819866635 599621191 /nfs/dbraw/zinc/62/11/91/599621191.db2.gz OMSMCJHYHCFWRH-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690145 599621721 /nfs/dbraw/zinc/62/17/21/599621721.db2.gz HBCYLNXMGJFPGQ-RISCZKNCSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690145 599621722 /nfs/dbraw/zinc/62/17/22/599621722.db2.gz HBCYLNXMGJFPGQ-RISCZKNCSA-N -2 3 363.443 1.639 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000821904159 599625489 /nfs/dbraw/zinc/62/54/89/599625489.db2.gz RVVFOMNHMNTFDU-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000821904159 599625490 /nfs/dbraw/zinc/62/54/90/599625490.db2.gz RVVFOMNHMNTFDU-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)o1 ZINC000740176398 599769477 /nfs/dbraw/zinc/76/94/77/599769477.db2.gz ABIZSBXONZILHC-UHFFFAOYSA-N -2 3 361.379 1.701 20 0 FDADHL COc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738137276 599779735 /nfs/dbraw/zinc/77/97/35/599779735.db2.gz YGTPFMYOKWSUMN-UHFFFAOYSA-N -2 3 355.368 1.734 20 0 FDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000520626278 599854185 /nfs/dbraw/zinc/85/41/85/599854185.db2.gz CVZZQAXLLMFFEG-UHFFFAOYSA-N -2 3 364.379 1.310 20 0 FDADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000737574128 599981651 /nfs/dbraw/zinc/98/16/51/599981651.db2.gz LLGWKASQNVAJEM-QMMMGPOBSA-N -2 3 373.280 1.139 20 0 FDADHL O=C([O-])CC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000739659129 599984933 /nfs/dbraw/zinc/98/49/33/599984933.db2.gz ICLJBHBLZRTTGD-INIZCTEOSA-N -2 3 356.378 1.844 20 0 FDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000740235485 600177391 /nfs/dbraw/zinc/17/73/91/600177391.db2.gz BNFQNBJDEVHYGB-UHFFFAOYSA-N -4 3 365.319 1.582 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000832950518 600691202 /nfs/dbraw/zinc/69/12/02/600691202.db2.gz MRLXQGCMBBECSO-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL CCC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000829203580 600993843 /nfs/dbraw/zinc/99/38/43/600993843.db2.gz XNIXROIAMAIXHX-AWEZNQCLSA-N -2 3 365.354 1.673 20 0 FDADHL Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833014702 601230610 /nfs/dbraw/zinc/23/06/10/601230610.db2.gz PGLNXRSNRILKSQ-UHFFFAOYSA-N -2 3 373.381 1.534 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)o1 ZINC000431509457 601292468 /nfs/dbraw/zinc/29/24/68/601292468.db2.gz CDPNAIXWWPOWSY-UHFFFAOYSA-N -2 3 352.368 1.755 20 0 FDADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000831971945 601333936 /nfs/dbraw/zinc/33/39/36/601333936.db2.gz AMPGQCJMTIRJRU-UHFFFAOYSA-N -3 3 374.325 1.075 20 0 FDADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000833185364 601387232 /nfs/dbraw/zinc/38/72/32/601387232.db2.gz MGGMFMHXKIOTMA-KGLIPLIRSA-N -2 3 360.410 1.568 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000833185367 601387260 /nfs/dbraw/zinc/38/72/60/601387260.db2.gz MGGMFMHXKIOTMA-UONOGXRCSA-N -2 3 360.410 1.568 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(C2CC2)no1 ZINC000826718041 601513371 /nfs/dbraw/zinc/51/33/71/601513371.db2.gz YSSRNULSPZYGHV-GFCCVEGCSA-N -2 3 357.432 1.818 20 0 FDADHL COc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC000832549014 601564165 /nfs/dbraw/zinc/56/41/65/601564165.db2.gz FVKJRSRDFIPREF-UHFFFAOYSA-N -2 3 372.349 1.588 20 0 FDADHL O=C([O-])CCCc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000325215557 601801487 /nfs/dbraw/zinc/80/14/87/601801487.db2.gz MPQFURPQHLFGGY-UHFFFAOYSA-N -2 3 352.328 1.812 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000826291369 607533611 /nfs/dbraw/zinc/53/36/11/607533611.db2.gz CCUXNBHTVBBHCK-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(CC(F)(F)F)c2)o1 ZINC000833323343 602009053 /nfs/dbraw/zinc/00/90/53/602009053.db2.gz DMWDMYNPHXJGKG-UHFFFAOYSA-N -2 3 353.278 1.215 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c1F ZINC000317731088 602114948 /nfs/dbraw/zinc/11/49/48/602114948.db2.gz LDJTUAPPSJHVEE-ZETCQYMHSA-N -2 3 369.436 1.790 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)cn(C)c1=O ZINC000831944891 602204937 /nfs/dbraw/zinc/20/49/37/602204937.db2.gz ATKDVYDDEYMUJT-UHFFFAOYSA-N -2 3 358.397 1.263 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CCCCC3)C2)o1 ZINC000833324298 602229562 /nfs/dbraw/zinc/22/95/62/602229562.db2.gz BSUDPNFUSWKDRW-JTQLQIEISA-N -2 3 356.400 1.190 20 0 FDADHL O=C(c1ccc(F)cc1[O-])N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826473032 607563498 /nfs/dbraw/zinc/56/34/98/607563498.db2.gz HSBVRDOXIGTKAM-UHFFFAOYSA-N -2 3 368.372 1.674 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739783932 602455875 /nfs/dbraw/zinc/45/58/75/602455875.db2.gz DQYLBYKCMRLDDG-JTQLQIEISA-N -2 3 374.390 1.281 20 0 FDADHL O=C([O-])N1CCc2ccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2C1 ZINC000740465369 602595713 /nfs/dbraw/zinc/59/57/13/602595713.db2.gz GSIIDTIHSSUAHL-UHFFFAOYSA-N -2 3 365.345 1.859 20 0 FDADHL O=C([O-])NCc1nc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cs1 ZINC000740686062 602723430 /nfs/dbraw/zinc/72/34/30/602723430.db2.gz VHAXOZXXEVHZRO-UHFFFAOYSA-N -2 3 369.380 1.086 20 0 FDADHL CC(C)(CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)NC(=O)[O-] ZINC000738741084 602887304 /nfs/dbraw/zinc/88/73/04/602887304.db2.gz AOXXNQSYHYBNLK-UHFFFAOYSA-N -2 3 363.414 1.503 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c(=O)[n-]1 ZINC000740220423 603212093 /nfs/dbraw/zinc/21/20/93/603212093.db2.gz XQLPVNRWBKYWHB-ZWNOBZJWSA-N -2 3 366.418 1.351 20 0 FDADHL O=C([O-])NCc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000740679213 603322932 /nfs/dbraw/zinc/32/29/32/603322932.db2.gz WXQKRUZTPQKIAJ-UHFFFAOYSA-N -2 3 372.381 1.711 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CNC(=O)[O-])oc1C ZINC000828760472 603492189 /nfs/dbraw/zinc/49/21/89/603492189.db2.gz COEUVAZZMLYIBD-PWSUYJOCSA-N -2 3 374.415 1.479 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c(C)o1 ZINC000828580242 603532196 /nfs/dbraw/zinc/53/21/96/603532196.db2.gz XDXQFUOJVJKCIC-CABZTGNLSA-N -2 3 373.431 1.147 20 0 FDADHL CN(C(=O)[O-])[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000827836094 603605968 /nfs/dbraw/zinc/60/59/68/603605968.db2.gz UUSFGUXEUMSQEP-JSGCOSHPSA-N -2 3 361.398 1.208 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)CNC(=O)[O-])cc1OC ZINC000827480893 603637909 /nfs/dbraw/zinc/63/79/09/603637909.db2.gz QFJJXCYSRVMGNE-UHFFFAOYSA-N -2 3 373.431 1.689 20 0 FDADHL O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCC(=O)[N-]C(=O)c2cccs2)C1 ZINC000832334560 603876659 /nfs/dbraw/zinc/87/66/59/603876659.db2.gz YFXNCMNIOZJZIY-ZJUUUORDSA-N -2 3 354.384 1.374 20 0 FDADHL O=C([O-])N1CCc2c1cccc2NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000831494178 604021573 /nfs/dbraw/zinc/02/15/73/604021573.db2.gz YGQRJOWAOGSRQF-UHFFFAOYSA-N -2 3 355.350 1.801 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)cc1Cl ZINC000823593136 604413956 /nfs/dbraw/zinc/41/39/56/604413956.db2.gz YRKRQTLSRWXQFZ-UHFFFAOYSA-N -2 3 365.770 1.078 20 0 FDADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000825396949 604447800 /nfs/dbraw/zinc/44/78/00/604447800.db2.gz FDPXRCAWQWSAFM-JTQLQIEISA-N -2 3 367.361 1.829 20 0 FDADHL O=C([O-])[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000666536797 604539009 /nfs/dbraw/zinc/53/90/09/604539009.db2.gz IDNHFVCQWHFBIX-LLVKDONJSA-N -2 3 359.176 1.150 20 0 FDADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000826127480 604882942 /nfs/dbraw/zinc/88/29/42/604882942.db2.gz UIWPFLYAXUUNOC-JOYOIKCWSA-N -2 3 355.366 1.834 20 0 FDADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000833731490 605022403 /nfs/dbraw/zinc/02/24/03/605022403.db2.gz FSIVPEHRQHMEQO-SNVBAGLBSA-N -2 3 367.427 1.725 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000833460656 605026612 /nfs/dbraw/zinc/02/66/12/605026612.db2.gz LAQUIJGTTCRPOV-UHFFFAOYSA-N -2 3 369.424 1.537 20 0 FDADHL CN(C(=O)[O-])c1ccc(OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000827899794 605254820 /nfs/dbraw/zinc/25/48/20/605254820.db2.gz JJMRPDMCGHXUBN-LBPRGKRZSA-N -2 3 358.416 1.670 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc(C[C@@H](C)N(C)C(=O)[O-])no2)c(C)o1 ZINC000828578776 605301771 /nfs/dbraw/zinc/30/17/71/605301771.db2.gz DGADBINLFIAIGB-SSDOTTSWSA-N -2 3 358.376 1.087 20 0 FDADHL O=C(COC(=O)CCC1CCN(C(=O)[O-])CC1)[N-]C(=O)c1cccs1 ZINC000834008160 605328469 /nfs/dbraw/zinc/32/84/69/605328469.db2.gz DANKZJMIOVCMDN-UHFFFAOYSA-N -2 3 368.411 1.718 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833437918 605421473 /nfs/dbraw/zinc/42/14/73/605421473.db2.gz XGGXKWUXJJRBQZ-JTQLQIEISA-N -2 3 374.415 1.513 20 0 FDADHL O=C([O-])N1CCC(n2cccc2C(=O)N2CCc3nc[n-]c(=O)c3C2)CC1 ZINC000834087986 605835364 /nfs/dbraw/zinc/83/53/64/605835364.db2.gz VCVQAKQYMRTEIQ-UHFFFAOYSA-N -2 3 371.397 1.497 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC12CCCC2 ZINC000823284059 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365.773 1.541 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000068239522 671362855 /nfs/dbraw/zinc/36/28/55/671362855.db2.gz MFCDJQVQDDPQHF-SECBINFHSA-N -2 3 362.477 1.238 20 0 FDADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1c[nH]c2ncccc12 ZINC000105386705 671601291 /nfs/dbraw/zinc/60/12/91/671601291.db2.gz YSPZRVSRTKVGKB-UHFFFAOYSA-N -2 3 361.280 1.820 20 0 FDADHL O=C(N=c1cn[n-]s1)N[N-]C(=O)c1ccc(F)cc1Br ZINC000192332788 672353600 /nfs/dbraw/zinc/35/36/00/672353600.db2.gz RNCMLMFRHJHHCK-UHFFFAOYSA-N -2 3 360.168 1.906 20 0 FDADHL CCCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000262623099 672820144 /nfs/dbraw/zinc/82/01/44/672820144.db2.gz CYFDTBPDYWIVKB-MRVPVSSYSA-N -2 3 365.429 1.465 20 0 FDADHL CCC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nnn[n-]1 ZINC000267663905 673318631 /nfs/dbraw/zinc/31/86/31/673318631.db2.gz IRVQSLWJLCOLED-JTQLQIEISA-N -2 3 351.436 1.316 20 0 FDADHL CCC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nn[n-]n1 ZINC000267663905 673318633 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COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000436475976 681696775 /nfs/dbraw/zinc/69/67/75/681696775.db2.gz ICSDSXIPPVSRAW-UHFFFAOYSA-N -2 3 350.352 1.079 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000436665005 681714159 /nfs/dbraw/zinc/71/41/59/681714159.db2.gz MXQFLAPTMFEJTA-UHFFFAOYSA-N -2 3 364.379 1.938 20 0 FDADHL CC(C)Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000475823580 685649901 /nfs/dbraw/zinc/64/99/01/685649901.db2.gz DXDOOTZFHDEOFH-UHFFFAOYSA-N -3 3 351.384 1.880 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)[n-]1 ZINC000460537878 684534826 /nfs/dbraw/zinc/53/48/26/684534826.db2.gz FKIRFVSAHUTPNS-UHFFFAOYSA-N -2 3 364.305 1.340 20 0 FDADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC000463373983 684686443 /nfs/dbraw/zinc/68/64/43/684686443.db2.gz DWVHZBDHMAHFCU-UHFFFAOYSA-N -2 3 364.379 1.339 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481582763 686350896 /nfs/dbraw/zinc/35/08/96/686350896.db2.gz UGRQXWYMTNWQQU-UHFFFAOYSA-N -2 3 352.368 1.866 20 0 FDADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481613057 686351567 /nfs/dbraw/zinc/35/15/67/686351567.db2.gz NEBNIZCCMDZOFD-UHFFFAOYSA-N -2 3 371.396 1.395 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000484555501 686604810 /nfs/dbraw/zinc/60/48/10/686604810.db2.gz JYTHRSJZSYFTNN-UHFFFAOYSA-N -2 3 370.358 1.836 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)cc3cccnc32)s1 ZINC000503530987 688364870 /nfs/dbraw/zinc/36/48/70/688364870.db2.gz PRAHYYZXJQGNQL-UHFFFAOYSA-N -2 3 367.387 1.849 20 0 FDADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000513811986 689702240 /nfs/dbraw/zinc/70/22/40/689702240.db2.gz BQNFTFYXYJSFOQ-UHFFFAOYSA-N -2 3 372.472 1.945 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000515636104 689880025 /nfs/dbraw/zinc/88/00/25/689880025.db2.gz GEDFPDNJDIOMGY-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 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20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000776574557 967131258 /nfs/dbraw/zinc/13/12/58/967131258.db2.gz SDWUMMSAIXMXAM-DTWKUNHWSA-N -2 3 351.856 1.940 20 0 FDADHL CCn1c(=O)c2ccc(C(=O)NCCCc3cc(=O)[nH][n-]3)cc2[n-]c1=S ZINC000854488822 968937337 /nfs/dbraw/zinc/93/73/37/968937337.db2.gz YHSXTYZMYWYQDL-UHFFFAOYSA-N -2 3 373.438 1.091 20 0 FDADHL COc1ccc(-n2nc(C)cc2C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001192889537 969350012 /nfs/dbraw/zinc/35/00/12/969350012.db2.gz WXOFVOBEQBAKTF-UHFFFAOYSA-N -2 3 367.342 1.877 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2)c(F)cc1F ZINC001195186112 970729474 /nfs/dbraw/zinc/72/94/74/970729474.db2.gz FUEVVHFJUIIJRX-CYBMUJFWSA-N -2 3 357.334 1.675 20 0 FDADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000864500489 973587994 /nfs/dbraw/zinc/58/79/94/973587994.db2.gz AISLPJFDOXXEDO-KNVOCYPGSA-N -2 3 357.281 1.866 20 0 FDADHL COCc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC001604640952 973774594 /nfs/dbraw/zinc/77/45/94/973774594.db2.gz WUGLQQUSCDCXMY-ZIAGYGMSSA-N -2 3 374.359 1.929 20 0 FDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C(=O)[O-])C[C@H]3C)c2)n[n-]1 ZINC001603817996 974294184 /nfs/dbraw/zinc/29/41/84/974294184.db2.gz AXHIJDBJUFMSFM-MGNBDDOMSA-N -2 3 372.381 1.375 20 0 FDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C(=O)[O-])C[C@H]3C)c2)[n-]1 ZINC001603817996 974294186 /nfs/dbraw/zinc/29/41/86/974294186.db2.gz AXHIJDBJUFMSFM-MGNBDDOMSA-N -2 3 372.381 1.375 20 0 FDADHL CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001201509989 975070599 /nfs/dbraw/zinc/07/05/99/975070599.db2.gz DPPFIWICYXIGBT-UHFFFAOYSA-N -2 3 352.368 1.773 20 0 FDADHL Cc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000794914604 975573524 /nfs/dbraw/zinc/57/35/24/975573524.db2.gz CXAPCRSMBPIZRD-UHFFFAOYSA-N -2 3 356.350 1.887 20 0 FDADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C1CC1 ZINC001592334142 977776926 /nfs/dbraw/zinc/77/69/26/977776926.db2.gz MJYTWBUYYWJIGD-RCDICMHDSA-N -2 3 360.457 1.621 20 0 FDADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccnc2Cl)(C(=O)[O-])C1(C)C ZINC000780288589 978785483 /nfs/dbraw/zinc/78/54/83/978785483.db2.gz QEYCTSAFCFTLTO-YGRLFVJLSA-N -2 3 362.835 1.672 20 0 FDADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cccnc2Cl)n1 ZINC000776525703 978896909 /nfs/dbraw/zinc/89/69/09/978896909.db2.gz YRLWGVBDWWIQRW-UHFFFAOYSA-N -2 3 361.832 1.340 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776536243 978983730 /nfs/dbraw/zinc/98/37/30/978983730.db2.gz CHDDIYNYDKOQSQ-HTQZYQBOSA-N -2 3 369.226 1.547 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])N1CCc2ccccc21 ZINC001592721972 979222102 /nfs/dbraw/zinc/22/21/02/979222102.db2.gz JGERNIRXDJMEKP-LLVKDONJSA-N -2 3 350.396 1.707 20 0 FDADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000776564696 979325595 /nfs/dbraw/zinc/32/55/95/979325595.db2.gz UDQDSNHUQYEEIR-SECBINFHSA-N -2 3 367.880 1.504 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000776570890 979395956 /nfs/dbraw/zinc/39/59/56/979395956.db2.gz IPNZOAITJRIBJE-GFCCVEGCSA-N -2 3 371.846 1.919 20 0 FDADHL C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592788685 979429594 /nfs/dbraw/zinc/42/95/94/979429594.db2.gz VUADCCWFGOUJQQ-MRVPVSSYSA-N -2 3 360.388 1.726 20 0 FDADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000864500526 979937286 /nfs/dbraw/zinc/93/72/86/979937286.db2.gz BDQJUFXAHIBOBT-WRXNHJIOSA-N -2 3 352.181 1.730 20 0 FDADHL C[C@@](Cn1cccn1)([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC001592926761 979951245 /nfs/dbraw/zinc/95/12/45/979951245.db2.gz YMOOMXIXRGRXOZ-ZDUSSCGKSA-N -2 3 361.782 1.497 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593039534 980318140 /nfs/dbraw/zinc/31/81/40/980318140.db2.gz AYYGWYMLUSZUFN-NEPJUHHUSA-N -2 3 371.393 1.807 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)c1noc(C)n1 ZINC001595310206 980466969 /nfs/dbraw/zinc/46/69/69/980466969.db2.gz DFFSCNXENIDCLE-LLVKDONJSA-N -2 3 357.363 1.953 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2CC(F)(F)F)oc1C(=O)[O-] ZINC000903511355 980964944 /nfs/dbraw/zinc/96/49/44/980964944.db2.gz SWRWPIREDCFQEZ-VIFPVBQESA-N -2 3 370.349 1.591 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001595537393 981386771 /nfs/dbraw/zinc/38/67/71/981386771.db2.gz KCLWUNRPIBKXMW-CJNGLKHVSA-N -2 3 372.443 1.423 20 0 FDADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c1ccccn1 ZINC001595538207 981390933 /nfs/dbraw/zinc/39/09/33/981390933.db2.gz QSEKQNLSELYECJ-BLLLJJGKSA-N -2 3 372.443 1.423 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H](O)c1ccccc1 ZINC001595600168 981577745 /nfs/dbraw/zinc/57/77/45/981577745.db2.gz HGYGNUTVKHTGTR-OLZOCXBDSA-N -2 3 353.400 1.289 20 0 FDADHL CC[C@@](C)(NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001594840477 982051096 /nfs/dbraw/zinc/05/10/96/982051096.db2.gz WXHSMBUJNWMICU-GOSISDBHSA-N -2 3 358.398 1.442 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000826322638 982190224 /nfs/dbraw/zinc/19/02/24/982190224.db2.gz VAOPTYBQXUAKSO-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL CCn1c(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nc2ccccc21 ZINC000645958575 1014974927 /nfs/dbraw/zinc/97/49/27/1014974927.db2.gz AERDGIOWGJWTSY-UHFFFAOYSA-N -2 3 363.395 1.868 20 0 FDADHL O=C([N-]c1nc2n(n1)CCCC2)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861939008 984004066 /nfs/dbraw/zinc/00/40/66/984004066.db2.gz HHJIZJLWZDHARX-UHFFFAOYSA-N -2 3 357.292 1.638 20 0 FDADHL CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596527575 984344409 /nfs/dbraw/zinc/34/44/09/984344409.db2.gz JQBHPVBOEKCQPW-NSHDSACASA-N -2 3 361.420 1.144 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000646012085 1015032160 /nfs/dbraw/zinc/03/21/60/1015032160.db2.gz FWNPTJDLMVMXHO-HNNXBMFYSA-N -2 3 352.437 1.910 20 0 FDADHL CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(C)C ZINC001596631320 984619498 /nfs/dbraw/zinc/61/94/98/984619498.db2.gz YWHKIFXTYVCQGW-NSHDSACASA-N -2 3 361.416 1.872 20 0 FDADHL C[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C[C@]1(C)C(=O)[O-] ZINC001599926289 985204730 /nfs/dbraw/zinc/20/47/30/985204730.db2.gz QFNIVFCYFQJGRZ-QPFGOUBPSA-N -2 3 350.321 1.989 20 0 FDADHL CCO[C@@H]1C[C@](NC(=O)c2cc3c(cc2[O-])OCO3)(C(=O)[O-])C1(C)C ZINC001596829722 985458608 /nfs/dbraw/zinc/45/86/08/985458608.db2.gz ZQWMZDWFWIYXGZ-DYVFJYSZSA-N -2 3 351.355 1.509 20 0 FDADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])no1 ZINC001596950866 986115409 /nfs/dbraw/zinc/11/54/09/986115409.db2.gz PQZWYDVCYXZBAA-SECBINFHSA-N -2 3 355.372 1.344 20 0 FDADHL CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCO2 ZINC001596986693 986253220 /nfs/dbraw/zinc/25/32/20/986253220.db2.gz FQSCPXVBCYJSFH-XOUADPBQSA-N -2 3 361.460 1.625 20 0 FDADHL O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826493528 986468044 /nfs/dbraw/zinc/46/80/44/986468044.db2.gz OWTVBOIOBVOEFU-UHFFFAOYSA-N -2 3 367.778 1.581 20 0 FDADHL O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826493528 986468048 /nfs/dbraw/zinc/46/80/48/986468048.db2.gz OWTVBOIOBVOEFU-UHFFFAOYSA-N -2 3 367.778 1.581 20 0 FDADHL C[C@H](C(=O)NCc1cccs1)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001589414401 986631609 /nfs/dbraw/zinc/63/16/09/986631609.db2.gz AKZWBBJGDDUXDA-BRNAGBGPSA-N -2 3 366.439 1.250 20 0 FDADHL C[C@@H](C(=O)NCc1cccs1)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001589414405 986631698 /nfs/dbraw/zinc/63/16/98/986631698.db2.gz AKZWBBJGDDUXDA-JXBBEZQWSA-N -2 3 366.439 1.250 20 0 FDADHL C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001589414749 986638741 /nfs/dbraw/zinc/63/87/41/986638741.db2.gz LOKYRCCQZROBCZ-LLVKDONJSA-N -2 3 374.397 1.358 20 0 FDADHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001589461122 986908952 /nfs/dbraw/zinc/90/89/52/986908952.db2.gz AEKIXWVFFPREPZ-HZMBPMFUSA-N -2 3 352.354 1.454 20 0 FDADHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001589461122 986908960 /nfs/dbraw/zinc/90/89/60/986908960.db2.gz AEKIXWVFFPREPZ-HZMBPMFUSA-N -2 3 352.354 1.454 20 0 FDADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001589513322 987157765 /nfs/dbraw/zinc/15/77/65/987157765.db2.gz RYOJDQVTEBSXJS-RISCZKNCSA-N -2 3 371.397 1.771 20 0 FDADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)n1 ZINC000871771068 987230316 /nfs/dbraw/zinc/23/03/16/987230316.db2.gz PYSMFXFORKMOQE-QMMMGPOBSA-N -2 3 354.400 1.625 20 0 FDADHL CCc1ccc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)[O-])c([O-])c1 ZINC001597498856 988049657 /nfs/dbraw/zinc/04/96/57/988049657.db2.gz PZQLQRKAZCVDSG-GXFFZTMASA-N -2 3 366.439 1.449 20 0 FDADHL CSCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)n[nH]1 ZINC001599805082 988241891 /nfs/dbraw/zinc/24/18/91/988241891.db2.gz HPBPBNBEMCYNKT-UHFFFAOYSA-N -2 3 374.419 1.292 20 0 FDADHL C[C@@H](COc1c(F)cccc1F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599837821 988772818 /nfs/dbraw/zinc/77/28/18/988772818.db2.gz REZKOEMSQTXRRM-ZETCQYMHSA-N -2 3 361.326 1.132 20 0 FDADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)s1 ZINC001597729393 989037778 /nfs/dbraw/zinc/03/77/78/989037778.db2.gz UBMLLWOSPIFPDN-UHFFFAOYSA-N -2 3 371.440 1.424 20 0 FDADHL CC(C)(CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001590717137 990480733 /nfs/dbraw/zinc/48/07/33/990480733.db2.gz JPPNXHTUARZDQH-SECBINFHSA-N -2 3 353.341 1.197 20 0 FDADHL CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001590778912 990584207 /nfs/dbraw/zinc/58/42/07/990584207.db2.gz GFZGXPSFYMBSER-ZDUSSCGKSA-N -2 3 354.384 1.411 20 0 FDADHL CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001598246060 991000217 /nfs/dbraw/zinc/00/02/17/991000217.db2.gz CUICHLPEXKBBJH-VMPITWQZSA-N -2 3 364.427 1.343 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001598326147 991345906 /nfs/dbraw/zinc/34/59/06/991345906.db2.gz ZFJYJYPXUMTKRT-UHFFFAOYSA-N -3 3 364.379 1.950 20 0 FDADHL COc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC001599734700 991757512 /nfs/dbraw/zinc/75/75/12/991757512.db2.gz KSPDEDFFRARONO-CMPLNLGQSA-N -2 3 370.452 1.762 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001599759969 992107194 /nfs/dbraw/zinc/10/71/94/992107194.db2.gz GLLIIQOZSJCKSG-HNNXBMFYSA-N -2 3 363.391 1.911 20 0 FDADHL C[S@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599774670 992286895 /nfs/dbraw/zinc/28/68/95/992286895.db2.gz DXGVHGUATZYLRY-FQEVSTJZSA-N -2 3 357.812 1.224 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(F)cc1 ZINC001598587873 993411197 /nfs/dbraw/zinc/41/11/97/993411197.db2.gz OYVFAMQFYPKSPR-IUODEOHRSA-N -2 3 368.386 1.841 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(F)cc1 ZINC001598587870 993411213 /nfs/dbraw/zinc/41/12/13/993411213.db2.gz OYVFAMQFYPKSPR-DOMZBBRYSA-N -2 3 368.386 1.841 20 0 FDADHL C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001593172852 994038454 /nfs/dbraw/zinc/03/84/54/994038454.db2.gz QJRZQEKKJXWLCU-SSDOTTSWSA-N -2 3 358.276 1.778 20 0 FDADHL C[C@H](NC(=O)c1csc(C(=O)[O-])n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593184538 994090494 /nfs/dbraw/zinc/09/04/94/994090494.db2.gz GPVMDLAYHNFYBV-YUMQZZPRSA-N -2 3 364.383 1.335 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1csc(C(=O)[O-])n1 ZINC001593184537 994090719 /nfs/dbraw/zinc/09/07/19/994090719.db2.gz GPVMDLAYHNFYBV-SFYZADRCSA-N -2 3 364.383 1.335 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC001593347461 994956658 /nfs/dbraw/zinc/95/66/58/994956658.db2.gz LQMLSRFJUOMMBO-QMMMGPOBSA-N -2 3 355.397 1.147 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC001599683178 995015440 /nfs/dbraw/zinc/01/54/40/995015440.db2.gz RAOGONDMLBAFAK-LURJTMIESA-N -2 3 361.269 1.295 20 0 FDADHL COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001598696376 995144044 /nfs/dbraw/zinc/14/40/44/995144044.db2.gz BYEJOPPDFWKATO-MRVPVSSYSA-N -2 3 373.280 1.296 20 0 FDADHL COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001598742422 995567588 /nfs/dbraw/zinc/56/75/88/995567588.db2.gz AQWPIDFTTMNAPO-HZMBPMFUSA-N -2 3 358.350 1.007 20 0 FDADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC[C@@H](C)CC1 ZINC001598907829 997300324 /nfs/dbraw/zinc/30/03/24/997300324.db2.gz AAXMFRBDLDKXEH-XCSCGOTBSA-N -2 3 362.429 1.242 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nc1 ZINC001598975466 998595576 /nfs/dbraw/zinc/59/55/76/998595576.db2.gz HQPFGRFZLSPDQS-UHFFFAOYSA-N -2 3 368.367 1.255 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C(=O)O1 ZINC001594263786 999018081 /nfs/dbraw/zinc/01/80/81/999018081.db2.gz GIHTXUGEDGXXDY-CDUCUWFYSA-N -2 3 351.739 1.160 20 0 FDADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])(CC(=O)[O-])C1 ZINC001594308584 999191580 /nfs/dbraw/zinc/19/15/80/999191580.db2.gz MVBKTOFVQBGGLB-AMIZOPFISA-N -3 3 362.429 1.401 20 0 FDADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC001599059533 999255280 /nfs/dbraw/zinc/25/52/80/999255280.db2.gz OXBDVWWYDUBHNZ-ZDUSSCGKSA-N -2 3 368.386 1.918 20 0 FDADHL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795343867 1006220258 /nfs/dbraw/zinc/22/02/58/1006220258.db2.gz RFVWOBCEYFICBW-SNVBAGLBSA-N -2 3 366.436 1.366 20 0 FDADHL C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)c1ncccc1[O-] ZINC000647778176 1009920237 /nfs/dbraw/zinc/92/02/37/1009920237.db2.gz UFCNROKTUZWEQS-LBPRGKRZSA-N -2 3 358.398 1.606 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)c(F)cc1[O-] ZINC000648317493 1010429245 /nfs/dbraw/zinc/42/92/45/1010429245.db2.gz NVFOVYRPGGZCLH-ZETCQYMHSA-N -2 3 358.167 1.536 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000514838027 539020586 /nfs/dbraw/zinc/02/05/86/539020586.db2.gz GHJCPHOVBDOFNF-AAEUAGOBSA-N -2 3 371.436 1.092 20 0 FDADHL C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261575223 178592291 /nfs/dbraw/zinc/59/22/91/178592291.db2.gz YMUXDTFHCHWTHC-JTQLQIEISA-N -2 3 372.624 1.216 20 0 FDADHL Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000518370389 539413955 /nfs/dbraw/zinc/41/39/55/539413955.db2.gz RVHLHDWCUVKWLQ-SNVBAGLBSA-N -2 3 356.425 1.896 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000522652291 539574170 /nfs/dbraw/zinc/57/41/70/539574170.db2.gz KWGWEGZLZCXOLH-UHFFFAOYSA-N -3 3 365.363 1.957 20 0 FDADHL CC(C)N(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000268894647 180175322 /nfs/dbraw/zinc/17/53/22/180175322.db2.gz NNXHZCDRNFWVSC-UHFFFAOYSA-N -2 3 374.434 1.838 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(=O)[O-])ccc1F ZINC000268933909 180182461 /nfs/dbraw/zinc/18/24/61/180182461.db2.gz BJTGNCWRHYVXBQ-UHFFFAOYSA-N -2 3 374.434 1.743 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c(C)o1 ZINC000271862000 180657451 /nfs/dbraw/zinc/65/74/51/180657451.db2.gz IYUZPXRADDFFBY-MRXNPFEDSA-N -2 3 363.395 1.752 20 0 FDADHL Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530150915 539897484 /nfs/dbraw/zinc/89/74/84/539897484.db2.gz VMNOFVGTDQEUGX-LBPRGKRZSA-N -2 3 351.384 1.147 20 0 FDADHL CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000274561523 181121885 /nfs/dbraw/zinc/12/18/85/181121885.db2.gz YTRCVWUPAVDETE-SNVBAGLBSA-N -2 3 374.390 1.341 20 0 FDADHL CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000274796215 181167508 /nfs/dbraw/zinc/16/75/08/181167508.db2.gz RJHPIBSWJGPAOS-UHFFFAOYSA-N -2 3 367.420 1.017 20 0 FDADHL C[C@@]1(c2ccc(NC(=O)c3cccc(C(=O)[O-])n3)cc2)NC(=O)[N-]C1=O ZINC000531996277 540130410 /nfs/dbraw/zinc/13/04/10/540130410.db2.gz WSOSMCGYYOVDCT-KRWDZBQOSA-N -2 3 354.322 1.087 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c1 ZINC000274922826 181195220 /nfs/dbraw/zinc/19/52/20/181195220.db2.gz NHHWRWOUTBDCCS-SNVBAGLBSA-N -2 3 353.849 1.833 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000274916659 181193994 /nfs/dbraw/zinc/19/39/94/181193994.db2.gz ACMLBNGXOSQHQG-LLVKDONJSA-N -2 3 363.819 1.762 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000274980709 181210610 /nfs/dbraw/zinc/21/06/10/181210610.db2.gz LNSPQECQORPRPE-LURJTMIESA-N -3 3 356.183 1.447 20 0 FDADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cc1Cl ZINC000274981001 181211289 /nfs/dbraw/zinc/21/12/89/181211289.db2.gz XTCZMTOIVPFHIC-FWOIEVBISA-N -2 3 358.199 1.114 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000274998558 181215198 /nfs/dbraw/zinc/21/51/98/181215198.db2.gz AKZVYGDXZJZBAY-VIFPVBQESA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCOCC1 ZINC000275036828 181222095 /nfs/dbraw/zinc/22/20/95/181222095.db2.gz UWEMQGZSQLBIFD-UHFFFAOYSA-N -2 3 351.783 1.639 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2F)cn1C ZINC000275065928 181229468 /nfs/dbraw/zinc/22/94/68/181229468.db2.gz VMSLWGMDBPLADS-LBPRGKRZSA-N -2 3 359.354 1.501 20 0 FDADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1 ZINC000275079146 181233142 /nfs/dbraw/zinc/23/31/42/181233142.db2.gz YIIZERRGCNCVBD-UHFFFAOYSA-N -2 3 363.819 1.906 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000275261362 181273688 /nfs/dbraw/zinc/27/36/88/181273688.db2.gz MHRDZEQLASEXTB-JTQLQIEISA-N -2 3 351.856 1.797 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c1 ZINC000534023298 540315532 /nfs/dbraw/zinc/31/55/32/540315532.db2.gz FRFZOPALFLPZCU-UHFFFAOYSA-N -2 3 355.393 1.711 20 0 FDADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000275344885 181295841 /nfs/dbraw/zinc/29/58/41/181295841.db2.gz VNVPXSXLDLCPMY-VIFPVBQESA-N -2 3 364.807 1.198 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000534763232 540409833 /nfs/dbraw/zinc/40/98/33/540409833.db2.gz XFYDMYVYVBUPAO-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2sc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000275549140 181348251 /nfs/dbraw/zinc/34/82/51/181348251.db2.gz DPFWCWBYVAQVCS-HZMBPMFUSA-N -2 3 362.473 1.697 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c1 ZINC000541929906 541300914 /nfs/dbraw/zinc/30/09/14/541300914.db2.gz IHWPZRONAMCZSF-UHFFFAOYSA-N -2 3 370.408 1.149 20 0 FDADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccc3nonc32)(C(=O)[O-])C1(C)C ZINC000275658775 181379372 /nfs/dbraw/zinc/37/93/72/181379372.db2.gz OQJAUISTRQARGO-ABAIWWIYSA-N -2 3 369.399 1.160 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)on1 ZINC000544929279 541855886 /nfs/dbraw/zinc/85/58/86/541855886.db2.gz JVUCKIWKRFXWAN-UHFFFAOYSA-N -2 3 354.384 1.351 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccccc2)c(F)c1 ZINC000544926329 541855535 /nfs/dbraw/zinc/85/55/35/541855535.db2.gz UDVZTUSWYUHNMX-UHFFFAOYSA-N -2 3 352.343 1.441 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])s1 ZINC000296812062 184202849 /nfs/dbraw/zinc/20/28/49/184202849.db2.gz CHCGUVTXJYNRKG-ZYHUDNBSSA-N -2 3 360.457 1.163 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000296934516 184215983 /nfs/dbraw/zinc/21/59/83/184215983.db2.gz LXDBVFDFMWBCPZ-PSASIEDQSA-N -2 3 363.233 1.623 20 0 FDADHL C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000298116303 184395882 /nfs/dbraw/zinc/39/58/82/184395882.db2.gz QCWXGAIQJJGQED-VXGBXAGGSA-N -2 3 374.434 1.302 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000547544670 542368848 /nfs/dbraw/zinc/36/88/48/542368848.db2.gz WFIHHQKEOCESKG-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-] ZINC000547561262 542375808 /nfs/dbraw/zinc/37/58/08/542375808.db2.gz BLHPSZDOUJDOHT-ZCFIWIBFSA-N -2 3 358.199 1.380 20 0 FDADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000547566840 542377088 /nfs/dbraw/zinc/37/70/88/542377088.db2.gz AEAWRVZIIBAJAY-NSHDSACASA-N -2 3 358.303 1.301 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)s1 ZINC000547567002 542377462 /nfs/dbraw/zinc/37/74/62/542377462.db2.gz CPVYTQIGYBMUIN-MRVPVSSYSA-N -2 3 354.247 1.961 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])oc1C ZINC000547569416 542378133 /nfs/dbraw/zinc/37/81/33/542378133.db2.gz LHSOIXICMQXTHR-ABAIWWIYSA-N -2 3 359.400 1.686 20 0 FDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547571529 542378798 /nfs/dbraw/zinc/37/87/98/542378798.db2.gz YAVFDACCJUUQGT-SSDOTTSWSA-N -2 3 362.791 1.696 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547573841 542380274 /nfs/dbraw/zinc/38/02/74/542380274.db2.gz BLBINGPKOGOMGU-SNVBAGLBSA-N -2 3 359.429 1.002 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Cc1ccccn1 ZINC000547556002 542373293 /nfs/dbraw/zinc/37/32/93/542373293.db2.gz WBECYYRMFFSSHI-JTQLQIEISA-N -2 3 356.350 1.582 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000547615123 542392161 /nfs/dbraw/zinc/39/21/61/542392161.db2.gz MHMAQUDUBCTJCD-ZDUSSCGKSA-N -2 3 372.305 1.977 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)oc1C ZINC000547869236 542469467 /nfs/dbraw/zinc/46/94/67/542469467.db2.gz ZWVJJCIJJJQULS-NSHDSACASA-N -2 3 359.381 1.540 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]CCc2nc(C)c(C(=O)[O-])s2)nc1C ZINC000547882035 542475498 /nfs/dbraw/zinc/47/54/98/542475498.db2.gz MNSBUXCMDJLKSJ-UHFFFAOYSA-N -2 3 358.445 1.196 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])on1 ZINC000547898408 542481088 /nfs/dbraw/zinc/48/10/88/542481088.db2.gz OBRJMTYLKRCWNM-CYBMUJFWSA-N -2 3 358.347 1.074 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000547901671 542482169 /nfs/dbraw/zinc/48/21/69/542482169.db2.gz JENCEVONJCLMAJ-GFCCVEGCSA-N -2 3 371.342 1.180 20 0 FDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000547910359 542484998 /nfs/dbraw/zinc/48/49/98/542484998.db2.gz GDSLRGRISFXWPV-UHFFFAOYSA-N -2 3 352.412 1.528 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547893875 542479936 /nfs/dbraw/zinc/47/99/36/542479936.db2.gz ZAIFHVAYLNLOTR-DOMZBBRYSA-N -2 3 359.400 1.550 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)(CC(=O)[O-])C(=O)[O-] ZINC000547935517 542492856 /nfs/dbraw/zinc/49/28/56/542492856.db2.gz GZUUEPCGCDBTQQ-LBPRGKRZSA-N -3 3 370.210 1.837 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000548197852 542581262 /nfs/dbraw/zinc/58/12/62/542581262.db2.gz SPYLVSGPFTUKSH-MFKMUULPSA-N -2 3 359.375 1.997 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1 ZINC000548213181 542587926 /nfs/dbraw/zinc/58/79/26/542587926.db2.gz NPWONLWLAMRGCW-SNVBAGLBSA-N -2 3 361.391 1.924 20 0 FDADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000548223823 542591515 /nfs/dbraw/zinc/59/15/15/542591515.db2.gz LNQIIUHUTYCVMJ-GFCCVEGCSA-N -2 3 368.386 1.451 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000548240316 542597574 /nfs/dbraw/zinc/59/75/74/542597574.db2.gz XIYZFZJFUOSSTP-SNVBAGLBSA-N -2 3 365.429 1.249 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000548527193 542690820 /nfs/dbraw/zinc/69/08/20/542690820.db2.gz QWUOEOCNWRUHHH-GFCCVEGCSA-N -2 3 364.383 1.142 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c1 ZINC000548543475 542697386 /nfs/dbraw/zinc/69/73/86/542697386.db2.gz SPNAJDQCFNPXAN-XJKSGUPXSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548555161 542701730 /nfs/dbraw/zinc/70/17/30/542701730.db2.gz UKEPLUAQEIEUKR-SNVBAGLBSA-N -2 3 363.457 1.258 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C3CCC3)cnc2c1Cl ZINC000548567920 542706257 /nfs/dbraw/zinc/70/62/57/542706257.db2.gz QRHAXOGJLAQJTF-LLVKDONJSA-N -2 3 358.807 1.223 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c(C)o1 ZINC000548588670 542711778 /nfs/dbraw/zinc/71/17/78/542711778.db2.gz QXKVMJFYVMIZDH-LLVKDONJSA-N -2 3 359.381 1.540 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCC1 ZINC000548593659 542714375 /nfs/dbraw/zinc/71/43/75/542714375.db2.gz BSPYQCPGMVEIPO-CQSZACIVSA-N -2 3 356.375 1.242 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)s1 ZINC000548866640 542793910 /nfs/dbraw/zinc/79/39/10/542793910.db2.gz JFQSWNHQUNESPG-AMIZOPFISA-N -2 3 360.457 1.162 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000548867392 542794569 /nfs/dbraw/zinc/79/45/69/542794569.db2.gz DFUOLWUOVKCYFJ-SDBXPKJASA-N -2 3 359.375 1.390 20 0 FDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1 ZINC000551113851 543234393 /nfs/dbraw/zinc/23/43/93/543234393.db2.gz JGUPWJYSUUJHBB-UHFFFAOYSA-N -2 3 364.354 1.611 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)s1 ZINC000552000852 543402033 /nfs/dbraw/zinc/40/20/33/543402033.db2.gz YLWURAWHWFKRNG-CQSZACIVSA-N -2 3 361.441 1.847 20 0 FDADHL CC(C)[C@@H](CN(C)C(=O)c1cncc([O-])c1)NC(=O)c1cncc([O-])c1 ZINC000552518941 543479319 /nfs/dbraw/zinc/47/93/19/543479319.db2.gz POQOKEDLFUYZPY-MRXNPFEDSA-N -2 3 358.398 1.414 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000126262634 173035236 /nfs/dbraw/zinc/03/52/36/173035236.db2.gz UBPQSXKKFUOEIU-SSDOTTSWSA-N -2 3 372.262 1.587 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)sc1Br ZINC000126274361 173035332 /nfs/dbraw/zinc/03/53/32/173035332.db2.gz JREYXFUDRPADPW-SNVBAGLBSA-N -2 3 370.246 1.341 20 0 FDADHL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CCCF)c1 ZINC000275085160 258455809 /nfs/dbraw/zinc/45/58/09/258455809.db2.gz ZNAUHFNVNQKLHT-UHFFFAOYSA-N -2 3 353.393 1.280 20 0 FDADHL Cn1[n-]c(=NC(=O)N=c2ncn(Cc3ccccc3)[n-]2)cc1OC(F)F ZINC000554160210 543753310 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369.317 1.247 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)s1 ZINC000559926497 544844667 /nfs/dbraw/zinc/84/46/67/544844667.db2.gz DYWTWYZGUUGMIO-OLZOCXBDSA-N -2 3 370.452 1.095 20 0 FDADHL Cc1cc(C(=O)NCc2cnc3n2CCCC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000560395366 544993295 /nfs/dbraw/zinc/99/32/95/544993295.db2.gz WXGHTXGKPBMVDS-UHFFFAOYSA-N -2 3 354.370 1.207 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC2(CCC2)C1 ZINC000368801174 260239108 /nfs/dbraw/zinc/23/91/08/260239108.db2.gz WPHAQOURWHSTDG-SMDDNHRTSA-N -2 3 357.403 1.907 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)C1C2CC3CC(C2)CC1C3 ZINC000408489781 262116403 /nfs/dbraw/zinc/11/64/03/262116403.db2.gz WCGKRNXXXANQMS-UHFFFAOYSA-N -2 3 360.439 1.835 20 0 FDADHL CC(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000408502227 262117815 /nfs/dbraw/zinc/11/78/15/262117815.db2.gz SBZBTUAMNJJKLI-FZMZJTMJSA-N -2 3 352.416 1.214 20 0 FDADHL CCOC(=O)c1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n[n-]1 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/nfs/dbraw/zinc/41/69/11/538416911.db2.gz IQCVEMVIKCWSAV-CYBMUJFWSA-N -2 3 372.443 1.650 20 0 FDADHL O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000497703030 538780026 /nfs/dbraw/zinc/78/00/26/538780026.db2.gz WUIRSPUYAILWOP-ZETCQYMHSA-N -2 3 362.567 1.345 20 0 FDADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000561307488 545796179 /nfs/dbraw/zinc/79/61/79/545796179.db2.gz JLRFBCQBOXCXJV-LBPRGKRZSA-N -2 3 372.830 1.756 20 0 FDADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000561842161 545964969 /nfs/dbraw/zinc/96/49/69/545964969.db2.gz IHHGUIBGUCZFRV-APPDUMDISA-N -2 3 363.391 1.951 20 0 FDADHL O=S(=O)([N-]C1CCN(Cc2ncccc2[O-])CC1)c1cccs1 ZINC000561943147 545989091 /nfs/dbraw/zinc/98/90/91/545989091.db2.gz IQJYLJZQOUGMLR-UHFFFAOYSA-N -2 3 353.469 1.792 20 0 FDADHL O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(O)cc1 ZINC000562417594 546132868 /nfs/dbraw/zinc/13/28/68/546132868.db2.gz UKELWOPICGBKKV-ZDUSSCGKSA-N -2 3 355.306 1.223 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000562967976 546334680 /nfs/dbraw/zinc/33/46/80/546334680.db2.gz ZVODWCXACRAFGH-SNVBAGLBSA-N -2 3 359.331 1.175 20 0 FDADHL CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000563069661 546384353 /nfs/dbraw/zinc/38/43/53/546384353.db2.gz SRWGZBLCKIHUEH-ZDUSSCGKSA-N -2 3 355.391 1.793 20 0 FDADHL CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000563069658 546384479 /nfs/dbraw/zinc/38/44/79/546384479.db2.gz SRWGZBLCKIHUEH-CYBMUJFWSA-N -2 3 355.391 1.793 20 0 FDADHL O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000563675367 546641424 /nfs/dbraw/zinc/64/14/24/546641424.db2.gz ULQKXMNXYHLAFN-SNVBAGLBSA-N -2 3 364.210 1.691 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000564919230 547103430 /nfs/dbraw/zinc/10/34/30/547103430.db2.gz AVXXRPFJXJSSNL-LLVKDONJSA-N -2 3 361.391 1.770 20 0 FDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCOCC1 ZINC000564920405 547104113 /nfs/dbraw/zinc/10/41/13/547104113.db2.gz HDMZRMSZXAMFNA-UHFFFAOYSA-N -2 3 368.333 1.403 20 0 FDADHL O=C([O-])c1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1 ZINC000565039069 547170043 /nfs/dbraw/zinc/17/00/43/547170043.db2.gz WNSFMDBOGGPWHL-UHFFFAOYSA-N -2 3 368.440 1.184 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000565053277 547176188 /nfs/dbraw/zinc/17/61/88/547176188.db2.gz ACPWHIGCCIBIPI-OAHLLOKOSA-N -2 3 366.395 1.593 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H]1CCCOC1 ZINC000565887464 547520213 /nfs/dbraw/zinc/52/02/13/547520213.db2.gz RKARPJGNKZHQOS-XVKPBYJWSA-N -2 3 373.374 1.925 20 0 FDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000566183119 547647207 /nfs/dbraw/zinc/64/72/07/547647207.db2.gz UZSQDFORFKRGCC-HNNXBMFYSA-N -2 3 370.452 1.968 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCCC(=O)[O-])c2)n1 ZINC000566227415 547669776 /nfs/dbraw/zinc/66/97/76/547669776.db2.gz GYWVQTLYTQHOLN-UHFFFAOYSA-N -2 3 372.381 1.331 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000566831834 547899511 /nfs/dbraw/zinc/89/95/11/547899511.db2.gz WEGHZGGLRFAQPX-PELKAZGASA-N -2 3 351.783 1.637 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCSC1 ZINC000567585799 548171592 /nfs/dbraw/zinc/17/15/92/548171592.db2.gz WAYASSWJTBSMEH-SNVBAGLBSA-N -2 3 356.347 1.339 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000567810290 548269093 /nfs/dbraw/zinc/26/90/93/548269093.db2.gz REQSZKZBQDOBLE-FZMZJTMJSA-N -2 3 351.428 1.339 20 0 FDADHL Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1C ZINC000568008304 548360326 /nfs/dbraw/zinc/36/03/26/548360326.db2.gz UMERYOJYHDKFNG-VIFPVBQESA-N -2 3 355.391 1.914 20 0 FDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000568820720 548691873 /nfs/dbraw/zinc/69/18/73/548691873.db2.gz QBIJVRPFBASUGH-LURJTMIESA-N -2 3 366.239 1.784 20 0 FDADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000569170829 548821068 /nfs/dbraw/zinc/82/10/68/548821068.db2.gz HLQCQLJQEBJICW-UHFFFAOYSA-N -2 3 366.376 1.219 20 0 FDADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000569807659 549054775 /nfs/dbraw/zinc/05/47/75/549054775.db2.gz MGNWIZICJPQVDL-UHFFFAOYSA-N -2 3 368.411 1.985 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC000569962395 549111321 /nfs/dbraw/zinc/11/13/21/549111321.db2.gz VSQKOEVCNLWQFA-LJGSYFOKSA-N -2 3 354.247 1.961 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000570088292 549154161 /nfs/dbraw/zinc/15/41/61/549154161.db2.gz DKPMJMSVIYNHFS-CYBMUJFWSA-N -2 3 368.386 1.594 20 0 FDADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000571043871 549504637 /nfs/dbraw/zinc/50/46/37/549504637.db2.gz VPGSYAMZTCVGCI-CYBMUJFWSA-N -2 3 360.432 1.161 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)[O-])c1scnc1C)c1ccccc1 ZINC000572601149 549952295 /nfs/dbraw/zinc/95/22/95/549952295.db2.gz RGLOZQOVXYTICG-STQMWFEESA-N -2 3 370.452 1.884 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000573320679 550111241 /nfs/dbraw/zinc/11/12/41/550111241.db2.gz FCBMWELOKIHRRA-NWDGAFQWSA-N -2 3 373.337 1.195 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000573377783 550124027 /nfs/dbraw/zinc/12/40/27/550124027.db2.gz VWAHJNGYRQQVHH-WDEREUQCSA-N -2 3 361.391 1.305 20 0 FDADHL C[C@@H]1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C[C@H]1C(=O)[O-] ZINC000574756956 550365512 /nfs/dbraw/zinc/36/55/12/550365512.db2.gz KKQIFVXKTAGSRH-BXUZGUMPSA-N -2 3 359.382 1.061 20 0 FDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000577567780 550669879 /nfs/dbraw/zinc/66/98/79/550669879.db2.gz SNPLEBAPPNRETJ-NSHDSACASA-N -2 3 363.317 1.556 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000579587460 550889227 /nfs/dbraw/zinc/88/92/27/550889227.db2.gz KRGNRDPJVNHMGV-UHFFFAOYSA-N -2 3 356.400 1.991 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]Cc1cccc(OCC(=O)[O-])c1 ZINC000579948407 550927009 /nfs/dbraw/zinc/92/70/09/550927009.db2.gz CSOSOOCDEGGGNC-UHFFFAOYSA-N -2 3 366.395 1.422 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000580070574 550940318 /nfs/dbraw/zinc/94/03/18/550940318.db2.gz NOMPQQNHXSPPOV-UHFFFAOYSA-N -2 3 371.436 1.950 20 0 FDADHL CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000581827688 551136958 /nfs/dbraw/zinc/13/69/58/551136958.db2.gz ADJOMTIQBBQHIZ-UHFFFAOYSA-N -2 3 360.407 1.451 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000582037973 551166010 /nfs/dbraw/zinc/16/60/10/551166010.db2.gz HNTYDFQVALSZDN-BBRMVZONSA-N -2 3 373.402 1.924 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cnc2c1Cl ZINC000582236678 551194700 /nfs/dbraw/zinc/19/47/00/551194700.db2.gz ICYAZYQGBRKBBH-KCJUWKMLSA-N -2 3 374.850 1.715 20 0 FDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000582358226 551212687 /nfs/dbraw/zinc/21/26/87/551212687.db2.gz MJDPQOFVWMUIHJ-NSHDSACASA-N -2 3 356.322 1.259 20 0 FDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000583451739 551354233 /nfs/dbraw/zinc/35/42/33/551354233.db2.gz FSYFKKHSRQWOGJ-VIFPVBQESA-N -2 3 353.400 1.780 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-])cn21 ZINC000583750946 551396836 /nfs/dbraw/zinc/39/68/36/551396836.db2.gz USOXRGLGKDCEIW-NWDGAFQWSA-N -2 3 373.475 1.717 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000583875613 551414530 /nfs/dbraw/zinc/41/45/30/551414530.db2.gz NMDRHDKQVWPRDQ-BDAKNGLRSA-N -2 3 363.461 1.659 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000584777977 551546822 /nfs/dbraw/zinc/54/68/22/551546822.db2.gz KDRNYJRUTCQTDO-UHFFFAOYSA-N -2 3 368.436 1.826 20 0 FDADHL COc1ccc2c(c1)[n-]cc(C(=O)N=c1cc(-c3ccncc3)[n-][nH]1)c2=O ZINC000590310701 551772105 /nfs/dbraw/zinc/77/21/05/551772105.db2.gz HAZVOWWZWIHPMP-UHFFFAOYSA-N -2 3 361.361 2.574 20 0 FDADHL COc1ccc2c([O-])c(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)cnc2c1 ZINC000590310701 551772107 /nfs/dbraw/zinc/77/21/07/551772107.db2.gz HAZVOWWZWIHPMP-UHFFFAOYSA-N -2 3 361.361 2.574 20 0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000590695252 551806157 /nfs/dbraw/zinc/80/61/57/551806157.db2.gz FVRQXRRMFJILHJ-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000590695252 551806159 /nfs/dbraw/zinc/80/61/59/551806159.db2.gz FVRQXRRMFJILHJ-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592426777 551993888 /nfs/dbraw/zinc/99/38/88/551993888.db2.gz RKQNHRLJWAHFBR-UHFFFAOYSA-N -2 3 368.411 1.577 20 0 FDADHL C[C@H](CSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000592450722 551997672 /nfs/dbraw/zinc/99/76/72/551997672.db2.gz OTGTVSNMOWTUOX-GHMZBOCLSA-N -2 3 361.489 1.513 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c(F)c1 ZINC000592450156 551997703 /nfs/dbraw/zinc/99/77/03/551997703.db2.gz MNTZIDGKGBEREV-VIFPVBQESA-N -2 3 351.421 1.567 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000593275860 552080920 /nfs/dbraw/zinc/08/09/20/552080920.db2.gz YZAHKMCBOMJFQQ-MRVPVSSYSA-N -2 3 361.803 1.658 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000596027582 552646395 /nfs/dbraw/zinc/64/63/95/552646395.db2.gz SAMRIDSOYRPCKK-CYBMUJFWSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000600659711 553293868 /nfs/dbraw/zinc/29/38/68/553293868.db2.gz PZBKZXIQKNERKN-WDEREUQCSA-N -2 3 361.441 1.847 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603889652 553825176 /nfs/dbraw/zinc/82/51/76/553825176.db2.gz ZPSACJPQSUXYNY-GFCCVEGCSA-N -2 3 366.443 1.080 20 0 FDADHL O=S(=O)([N-]c1cc(I)ccc1[O-])N1CCCC1 ZINC000611291011 554623507 /nfs/dbraw/zinc/62/35/07/554623507.db2.gz JNQRMVYWMGFOIM-UHFFFAOYSA-N -2 3 368.196 1.749 20 0 FDADHL C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614817458 555120268 /nfs/dbraw/zinc/12/02/68/555120268.db2.gz LXACRIFGHUUNIT-QWRGUYRKSA-N -2 3 361.373 1.954 20 0 FDADHL Cc1ccc(-c2cc(=NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)C)[nH][n-]2)s1 ZINC000616811706 555341676 /nfs/dbraw/zinc/34/16/76/555341676.db2.gz VGXHCEDFLALYAR-ZDUSSCGKSA-N -2 3 356.473 1.959 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)[n-]1 ZINC000617870357 555526004 /nfs/dbraw/zinc/52/60/04/555526004.db2.gz NJOZJEPKFFSEIP-UHFFFAOYSA-N -2 3 370.362 1.349 20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c[n-]1 ZINC000617870357 555526005 /nfs/dbraw/zinc/52/60/05/555526005.db2.gz NJOZJEPKFFSEIP-UHFFFAOYSA-N -2 3 370.362 1.349 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2OC(F)F)c[n-]1 ZINC000618906740 555694106 /nfs/dbraw/zinc/69/41/06/555694106.db2.gz VZGRUQGULMWKPP-UHFFFAOYSA-N -2 3 361.326 1.989 20 0 FDADHL C[C@@H]1[C@H](C)N(C(=O)c2cncc([O-])c2)CCN1C(=O)c1cncc([O-])c1 ZINC000620745893 555978357 /nfs/dbraw/zinc/97/83/57/555978357.db2.gz VINKZCUCFUQGKS-TXEJJXNPSA-N -2 3 356.382 1.263 20 0 FDADHL C[C@]1(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000621598734 556119074 /nfs/dbraw/zinc/11/90/74/556119074.db2.gz WHZCQGNLKXMJGU-VEVIJQCQSA-N -2 3 359.382 1.114 20 0 FDADHL CC(C)(C)n1nnc(C(=O)N=c2nc(-c3ccc([O-])c(Cl)c3)[nH][n-]2)n1 ZINC000621956915 556190855 /nfs/dbraw/zinc/19/08/55/556190855.db2.gz BKSYLHZRJGQLTC-UHFFFAOYSA-N -2 3 362.781 1.825 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)n1C ZINC000629286397 557752430 /nfs/dbraw/zinc/75/24/30/557752430.db2.gz NVEGBSFSPQNEFV-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-])C1CC1 ZINC000629302833 557757644 /nfs/dbraw/zinc/75/76/44/557757644.db2.gz AVTYQXVPHLCZHO-WDEREUQCSA-N -2 3 363.382 1.820 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629339700 557769232 /nfs/dbraw/zinc/76/92/32/557769232.db2.gz JCMYKGLBQZMVOH-NWDGAFQWSA-N -2 3 358.416 1.029 20 0 FDADHL Cc1cc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)CCOCC2)on1 ZINC000629345536 557770970 /nfs/dbraw/zinc/77/09/70/557770970.db2.gz YSIRQBWOQXVZBL-UHFFFAOYSA-N -2 3 367.383 1.060 20 0 FDADHL Cc1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)oc1C(=O)[O-] ZINC000630329932 557898128 /nfs/dbraw/zinc/89/81/28/557898128.db2.gz SZZCFDWGJKUGGT-VIFPVBQESA-N -2 3 372.424 1.331 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)[C@@H]1CCCO1 ZINC000630422418 557908045 /nfs/dbraw/zinc/90/80/45/557908045.db2.gz LSMKNVYUCZDFEN-WFASDCNBSA-N -2 3 353.371 1.889 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000630425000 557908460 /nfs/dbraw/zinc/90/84/60/557908460.db2.gz YUFQUDCJFMACJT-MWLCHTKSSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000630425032 557908506 /nfs/dbraw/zinc/90/85/06/557908506.db2.gz ZJBKWWXACZMYCS-QWRGUYRKSA-N -2 3 354.211 1.904 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000632654931 558199467 /nfs/dbraw/zinc/19/94/67/558199467.db2.gz DBVNXFGYGIVHFM-HZMBPMFUSA-N -2 3 362.448 1.808 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737106294 598843978 /nfs/dbraw/zinc/84/39/78/598843978.db2.gz QSAGCWAJLNHNAV-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737106294 598843979 /nfs/dbraw/zinc/84/39/79/598843979.db2.gz QSAGCWAJLNHNAV-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735984980 598924347 /nfs/dbraw/zinc/92/43/47/598924347.db2.gz HVCTYWHIALULBB-NSHDSACASA-N -2 3 363.443 1.888 20 0 FDADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735984980 598924348 /nfs/dbraw/zinc/92/43/48/598924348.db2.gz HVCTYWHIALULBB-NSHDSACASA-N -2 3 363.443 1.888 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737391542 598978148 /nfs/dbraw/zinc/97/81/48/598978148.db2.gz DNFJXLIGBVEJGQ-UHFFFAOYSA-N -2 3 371.422 1.531 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737391542 598978150 /nfs/dbraw/zinc/97/81/50/598978150.db2.gz DNFJXLIGBVEJGQ-UHFFFAOYSA-N -2 3 371.422 1.531 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1sccc1-c1nnn[n-]1 ZINC000738139764 599028962 /nfs/dbraw/zinc/02/89/62/599028962.db2.gz PEWKGIKAYPYFDZ-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1sccc1-c1nn[n-]n1 ZINC000738139764 599028964 /nfs/dbraw/zinc/02/89/64/599028964.db2.gz PEWKGIKAYPYFDZ-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821133804 599233389 /nfs/dbraw/zinc/23/33/89/599233389.db2.gz FKRJYBBCLZCCNK-UHFFFAOYSA-N -2 3 360.399 1.851 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798716 599284101 /nfs/dbraw/zinc/28/41/01/599284101.db2.gz UISCYBWRCPUXRH-WDZFZDKYSA-N -2 3 361.427 1.808 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798716 599284103 /nfs/dbraw/zinc/28/41/03/599284103.db2.gz UISCYBWRCPUXRH-WDZFZDKYSA-N -2 3 361.427 1.808 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000822496200 607328088 /nfs/dbraw/zinc/32/80/88/607328088.db2.gz DYYYOTKGTWYQNG-UHFFFAOYSA-N -2 3 371.785 1.502 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000735974032 598414895 /nfs/dbraw/zinc/41/48/95/598414895.db2.gz FFYJPMASUHEOIB-QMMMGPOBSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000735974032 598414896 /nfs/dbraw/zinc/41/48/96/598414896.db2.gz FFYJPMASUHEOIB-QMMMGPOBSA-N -2 3 369.834 1.761 20 0 FDADHL CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735896789 598415992 /nfs/dbraw/zinc/41/59/92/598415992.db2.gz VPOFNPUNLFDFDC-UHFFFAOYSA-N -2 3 373.822 1.140 20 0 FDADHL CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735896789 598415993 /nfs/dbraw/zinc/41/59/93/598415993.db2.gz VPOFNPUNLFDFDC-UHFFFAOYSA-N -2 3 373.822 1.140 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737369565 598491042 /nfs/dbraw/zinc/49/10/42/598491042.db2.gz JBTLFZFMXHTABV-VWLOTQADSA-N -2 3 355.423 1.599 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000737061666 598499947 /nfs/dbraw/zinc/49/99/47/598499947.db2.gz CHIRLJDDDLFJQF-UHFFFAOYSA-N -2 3 373.394 1.706 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000738214257 598594494 /nfs/dbraw/zinc/59/44/94/598594494.db2.gz KDUAUPZLAHIMIC-UHFFFAOYSA-N -3 3 369.359 1.566 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000738214257 598594495 /nfs/dbraw/zinc/59/44/95/598594495.db2.gz KDUAUPZLAHIMIC-UHFFFAOYSA-N -3 3 369.359 1.566 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000820177784 607375512 /nfs/dbraw/zinc/37/55/12/607375512.db2.gz ANKGZTTWFSSCPF-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000820177784 607375514 /nfs/dbraw/zinc/37/55/14/607375514.db2.gz ANKGZTTWFSSCPF-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL Cc1cccc(NC(=O)C(=O)[N-]OCc2ccccc2)c1-c1nnn[n-]1 ZINC000822323312 599601586 /nfs/dbraw/zinc/60/15/86/599601586.db2.gz FCIGGNRTNMJINL-UHFFFAOYSA-N -2 3 352.354 1.362 20 0 FDADHL Cc1cccc(NC(=O)C(=O)[N-]OCc2ccccc2)c1-c1nn[n-]n1 ZINC000822323312 599601588 /nfs/dbraw/zinc/60/15/88/599601588.db2.gz FCIGGNRTNMJINL-UHFFFAOYSA-N -2 3 352.354 1.362 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690201 599619830 /nfs/dbraw/zinc/61/98/30/599619830.db2.gz HIKZGQFSQWXTIL-SMDDNHRTSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690201 599619831 /nfs/dbraw/zinc/61/98/31/599619831.db2.gz HIKZGQFSQWXTIL-SMDDNHRTSA-N -2 3 363.443 1.639 20 0 FDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227785 599620172 /nfs/dbraw/zinc/62/01/72/599620172.db2.gz VYXSGCGGZJXHES-SNVBAGLBSA-N -2 3 361.383 1.377 20 0 FDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227785 599620173 /nfs/dbraw/zinc/62/01/73/599620173.db2.gz VYXSGCGGZJXHES-SNVBAGLBSA-N -2 3 361.383 1.377 20 0 FDADHL CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737103219 599774436 /nfs/dbraw/zinc/77/44/36/599774436.db2.gz BXSJAMSDUKVGCW-UHFFFAOYSA-N -2 3 366.395 1.305 20 0 FDADHL COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC000738103723 599778385 /nfs/dbraw/zinc/77/83/85/599778385.db2.gz ZORSPRCREWKVLM-LLVKDONJSA-N -2 3 366.395 1.544 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC000327886533 599811890 /nfs/dbraw/zinc/81/18/90/599811890.db2.gz DOZPKHGUQAFXND-OAHLLOKOSA-N -2 3 363.391 1.886 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1C(=O)[O-] ZINC000392729180 599926219 /nfs/dbraw/zinc/92/62/19/599926219.db2.gz VAVJLMQVAHABLK-UHFFFAOYSA-N -2 3 362.363 1.825 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000736165902 599950683 /nfs/dbraw/zinc/95/06/83/599950683.db2.gz UDQTXGWIEYOLAB-UHFFFAOYSA-N -2 3 358.350 1.858 20 0 FDADHL O=C([O-])c1ccc(OCCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000740164385 599951318 /nfs/dbraw/zinc/95/13/18/599951318.db2.gz REHHOLZAPUSNSO-UHFFFAOYSA-N -2 3 354.318 1.077 20 0 FDADHL COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738108559 600449172 /nfs/dbraw/zinc/44/91/72/600449172.db2.gz GDMNMUONSXXPDB-UHFFFAOYSA-N -2 3 355.368 1.734 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000740175702 600450850 /nfs/dbraw/zinc/45/08/50/600450850.db2.gz VNVKCHHMFQERBM-LBPRGKRZSA-N -2 3 364.379 1.452 20 0 FDADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c(=O)[n-]1 ZINC000738846961 600487217 /nfs/dbraw/zinc/48/72/17/600487217.db2.gz GRNXNPGWOVJVNT-CYBMUJFWSA-N -2 3 351.403 1.214 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000736390902 600497090 /nfs/dbraw/zinc/49/70/90/600497090.db2.gz VMQSTKCUCAZROX-CYBMUJFWSA-N -2 3 368.415 1.613 20 0 FDADHL O=C([O-])Cc1nc([N-]C(=O)c2cnc(Cc3ccc(F)cc3)s2)n[nH]1 ZINC000739899882 600534913 /nfs/dbraw/zinc/53/49/13/600534913.db2.gz VYBOVACPGJGFKF-UHFFFAOYSA-N -2 3 361.358 1.871 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000737732254 600652251 /nfs/dbraw/zinc/65/22/51/600652251.db2.gz BTQYIUSOKJEARX-VIFPVBQESA-N -2 3 361.725 1.894 20 0 FDADHL CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000325114331 600674443 /nfs/dbraw/zinc/67/44/43/600674443.db2.gz KLJXLHKDGCMRAM-UHFFFAOYSA-N -2 3 371.802 1.869 20 0 FDADHL C[C@H](CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000827450107 600723823 /nfs/dbraw/zinc/72/38/23/600723823.db2.gz RSSAVZTVKREXKG-CQSZACIVSA-N -2 3 370.405 1.872 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000656180172 601216900 /nfs/dbraw/zinc/21/69/00/601216900.db2.gz DBNNQDFLCJYOII-UHFFFAOYSA-N -2 3 372.443 1.602 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(-n3cncn3)cc2)cc1C(=O)[O-] ZINC000833027477 601217102 /nfs/dbraw/zinc/21/71/02/601217102.db2.gz ULUHUCWVXMJPOZ-UHFFFAOYSA-N -2 3 362.367 1.345 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCn2c(=O)oc3ccccc32)cc1C(=O)[O-] ZINC000833027480 601220852 /nfs/dbraw/zinc/22/08/52/601220852.db2.gz UNBBHRUNYKERLE-UHFFFAOYSA-N -2 3 366.351 1.173 20 0 FDADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000831073652 601223544 /nfs/dbraw/zinc/22/35/44/601223544.db2.gz QCYHMDLAVMUJBH-ZDUSSCGKSA-N -2 3 367.379 1.521 20 0 FDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000828691785 601233556 /nfs/dbraw/zinc/23/35/56/601233556.db2.gz DNANNLIJZGLODT-ZDUSSCGKSA-N -2 3 351.327 1.283 20 0 FDADHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826983892 601239250 /nfs/dbraw/zinc/23/92/50/601239250.db2.gz HSURHXJNAONCFW-QMMMGPOBSA-N -2 3 365.354 1.529 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)c1F ZINC000776574461 601611849 /nfs/dbraw/zinc/61/18/49/601611849.db2.gz KESVZHNIMZHMNL-SECBINFHSA-N -2 3 363.338 1.283 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1F ZINC000831029584 601624659 /nfs/dbraw/zinc/62/46/59/601624659.db2.gz XJXSADPBZJDWTK-NSHDSACASA-N -2 3 370.402 1.061 20 0 FDADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262796871 601711640 /nfs/dbraw/zinc/71/16/40/601711640.db2.gz QWECRKCSORMPFW-QGZVFWFLSA-N -2 3 360.345 1.120 20 0 FDADHL O=C([O-])C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCC1 ZINC000833134910 601758745 /nfs/dbraw/zinc/75/87/45/601758745.db2.gz VGLLPGDHSLHEAE-AWEZNQCLSA-N -2 3 360.410 1.758 20 0 FDADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833085366 601863628 /nfs/dbraw/zinc/86/36/28/601863628.db2.gz MKSRTKOGNTZJNK-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL CC(C)N(CCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000738839153 602062244 /nfs/dbraw/zinc/06/22/44/602062244.db2.gz GUXGNIHKPQDKFL-UHFFFAOYSA-N -2 3 363.414 1.455 20 0 FDADHL CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000069440457 602156059 /nfs/dbraw/zinc/15/60/59/602156059.db2.gz JBSNPAGVTQXWIQ-UHFFFAOYSA-N -2 3 358.235 1.772 20 0 FDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)C(=O)[O-] ZINC000738388270 602273150 /nfs/dbraw/zinc/27/31/50/602273150.db2.gz MTBRNEHKXZEEQN-MRVPVSSYSA-N -2 3 357.322 1.196 20 0 FDADHL O=C([O-])NCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000740653098 602388546 /nfs/dbraw/zinc/38/85/46/602388546.db2.gz TUCNHRPPITYGII-UHFFFAOYSA-N -2 3 355.185 1.524 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])CC(C)C)s1 ZINC000739791147 602567783 /nfs/dbraw/zinc/56/77/83/602567783.db2.gz FVHAKICWJPNZGA-SECBINFHSA-N -2 3 364.445 1.495 20 0 FDADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000740505523 602568683 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350.352 1.647 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1cccnc1)C(=O)[O-] ZINC000275362898 181300042 /nfs/dbraw/zinc/30/00/42/181300042.db2.gz XSVXIWMVIPOKTC-ZDUSSCGKSA-N -2 3 352.387 1.751 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000540776746 541096276 /nfs/dbraw/zinc/09/62/76/541096276.db2.gz COEUCMHBKMWFFI-UHFFFAOYSA-N -2 3 374.418 1.955 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)n[n-]1 ZINC000542518067 541419207 /nfs/dbraw/zinc/41/92/07/541419207.db2.gz RVDJKTLJUJNSBB-UHFFFAOYSA-N -2 3 371.371 1.329 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000278140335 181916353 /nfs/dbraw/zinc/91/63/53/181916353.db2.gz NJQUFYRNUBQBLC-JTQLQIEISA-N -2 3 367.782 1.554 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037573936 205028982 /nfs/dbraw/zinc/02/89/82/205028982.db2.gz WWEARCHHKOWFNI-SNVBAGLBSA-N -2 3 354.197 1.976 20 0 FDADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000226859701 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3 367.354 1.789 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621574321 556114177 /nfs/dbraw/zinc/11/41/77/556114177.db2.gz ONADDNIYZAUTFX-SNVBAGLBSA-N -2 3 360.457 1.271 20 0 FDADHL C[C@@]1(c2ccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000621584898 556115537 /nfs/dbraw/zinc/11/55/37/556115537.db2.gz LCPPEAJEWGPPSA-LIRRHRJNSA-N -2 3 373.409 1.505 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)CCOCC1 ZINC000629285707 557751892 /nfs/dbraw/zinc/75/18/92/557751892.db2.gz AHWNPBPNKWDSMZ-UHFFFAOYSA-N -2 3 361.391 1.851 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cscc1Br)[C@H]1CCOC1 ZINC000630414518 557906847 /nfs/dbraw/zinc/90/68/47/557906847.db2.gz UXMQDTIUJCFUFD-IMTBSYHQSA-N -2 3 370.246 1.279 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)[C@H]1CCCO1 ZINC000630422415 557907950 /nfs/dbraw/zinc/90/79/50/557907950.db2.gz LSMKNVYUCZDFEN-DOMZBBRYSA-N -2 3 353.371 1.889 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCCOC2)sc1Cl ZINC000630431422 557909007 /nfs/dbraw/zinc/90/90/07/557909007.db2.gz FRXNJYHNBWPJAF-GFCCVEGCSA-N -2 3 353.849 1.870 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341642 598841973 /nfs/dbraw/zinc/84/19/73/598841973.db2.gz HSPGNBRKXJNVKE-UHFFFAOYSA-N -2 3 361.358 1.742 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341642 598841975 /nfs/dbraw/zinc/84/19/75/598841975.db2.gz HSPGNBRKXJNVKE-UHFFFAOYSA-N -2 3 361.358 1.742 20 0 FDADHL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736956661 598929072 /nfs/dbraw/zinc/92/90/72/598929072.db2.gz HMXINRDZBDEATD-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CSC(C)(C)C ZINC000737300434 598975349 /nfs/dbraw/zinc/97/53/49/598975349.db2.gz XIDNSOMOGAOJHR-UHFFFAOYSA-N -2 3 369.472 1.512 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CSC(C)(C)C ZINC000737300434 598975350 /nfs/dbraw/zinc/97/53/50/598975350.db2.gz XIDNSOMOGAOJHR-UHFFFAOYSA-N -2 3 369.472 1.512 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n(C)n1 ZINC000736678170 599192920 /nfs/dbraw/zinc/19/29/20/599192920.db2.gz VWOCRYCQKCQANP-UHFFFAOYSA-N -2 3 367.822 1.617 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821492876 607302273 /nfs/dbraw/zinc/30/22/73/607302273.db2.gz YAQZHCAOIIOIKT-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821492876 607302274 /nfs/dbraw/zinc/30/22/74/607302274.db2.gz YAQZHCAOIIOIKT-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCC(=O)[O-])c1Cl ZINC000820645218 597847724 /nfs/dbraw/zinc/84/77/24/597847724.db2.gz BNOAFPFURJECQL-UHFFFAOYSA-N -2 3 370.210 1.923 20 0 FDADHL O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738209466 598308772 /nfs/dbraw/zinc/30/87/72/598308772.db2.gz OTRLUAZRMZVZCM-SNPRPXQTSA-N -2 3 371.397 1.490 20 0 FDADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736330314 598331280 /nfs/dbraw/zinc/33/12/80/598331280.db2.gz CEXJQUZEGICZOT-GFCCVEGCSA-N -2 3 365.459 1.885 20 0 FDADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736330314 598331281 /nfs/dbraw/zinc/33/12/81/598331281.db2.gz CEXJQUZEGICZOT-GFCCVEGCSA-N -2 3 365.459 1.885 20 0 FDADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738101039 598719261 /nfs/dbraw/zinc/71/92/61/598719261.db2.gz WPKLZUHNAQHZAM-UHFFFAOYSA-N -2 3 363.337 1.140 20 0 FDADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738101039 598719263 /nfs/dbraw/zinc/71/92/63/598719263.db2.gz WPKLZUHNAQHZAM-UHFFFAOYSA-N -2 3 363.337 1.140 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738139844 598799949 /nfs/dbraw/zinc/79/99/49/598799949.db2.gz QUMMIVDVISXUQJ-OAHLLOKOSA-N -2 3 369.406 1.402 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738139844 598799950 /nfs/dbraw/zinc/79/99/50/598799950.db2.gz QUMMIVDVISXUQJ-OAHLLOKOSA-N -2 3 369.406 1.402 20 0 FDADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346274 599519359 /nfs/dbraw/zinc/51/93/59/599519359.db2.gz XECPDRMRUFHWNP-UHFFFAOYSA-N -2 3 374.411 1.514 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000822222903 599624650 /nfs/dbraw/zinc/62/46/50/599624650.db2.gz XOXHGXBGUPVVCP-MFKMUULPSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000822222903 599624651 /nfs/dbraw/zinc/62/46/51/599624651.db2.gz XOXHGXBGUPVVCP-MFKMUULPSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000822222904 599624717 /nfs/dbraw/zinc/62/47/17/599624717.db2.gz XOXHGXBGUPVVCP-ZWNOBZJWSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000822222904 599624718 /nfs/dbraw/zinc/62/47/18/599624718.db2.gz XOXHGXBGUPVVCP-ZWNOBZJWSA-N -2 3 363.443 1.806 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262420684 599776442 /nfs/dbraw/zinc/77/64/42/599776442.db2.gz QBYZKIXIBBGMFY-JGVFFNPUSA-N -2 3 366.317 1.736 20 0 FDADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000736863802 599797850 /nfs/dbraw/zinc/79/78/50/599797850.db2.gz PTZFQIGUFHKEGM-CYBMUJFWSA-N -2 3 366.798 1.969 20 0 FDADHL O=C([O-])c1ccc(OCCNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000740317577 599905890 /nfs/dbraw/zinc/90/58/90/599905890.db2.gz VBBIGAXNUXPNIU-LFIBNONCSA-N -2 3 352.346 1.664 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000466284749 599908251 /nfs/dbraw/zinc/90/82/51/599908251.db2.gz BWVVKDUGLDUKCL-UHFFFAOYSA-N -2 3 364.379 1.425 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1C(=O)[O-] ZINC000476769396 599926159 /nfs/dbraw/zinc/92/61/59/599926159.db2.gz IMOYKHHHSURGAC-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000737950910 600158570 /nfs/dbraw/zinc/15/85/70/600158570.db2.gz BWVRHBXWXVIYPC-MRXNPFEDSA-N -2 3 372.377 1.463 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc1F ZINC000736477279 600643740 /nfs/dbraw/zinc/64/37/40/600643740.db2.gz DZQYLKNPTXCVKK-CYBMUJFWSA-N -2 3 374.434 1.742 20 0 FDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000824024945 607461433 /nfs/dbraw/zinc/46/14/33/607461433.db2.gz RLUQLDCEEJBBKE-UHFFFAOYSA-N -2 3 367.778 1.247 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826492610 607462690 /nfs/dbraw/zinc/46/26/90/607462690.db2.gz UEGHAZJYRWHBIL-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000327965861 600731344 /nfs/dbraw/zinc/73/13/44/600731344.db2.gz WKPPKIKWYPLBEY-OAHLLOKOSA-N -2 3 363.391 1.886 20 0 FDADHL CCOC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000829822372 600771929 /nfs/dbraw/zinc/77/19/29/600771929.db2.gz HDNULCITOPSMSD-GFCCVEGCSA-N -2 3 367.379 1.603 20 0 FDADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000831073196 600775746 /nfs/dbraw/zinc/77/57/46/600775746.db2.gz NNYWZCQVSZYIKN-NSHDSACASA-N -2 3 353.352 1.213 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1C(=O)[O-] ZINC000392754990 600811037 /nfs/dbraw/zinc/81/10/37/600811037.db2.gz LXOQSQSEFIUPKU-UHFFFAOYSA-N -2 3 367.358 1.548 20 0 FDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000477430153 600830978 /nfs/dbraw/zinc/83/09/78/600830978.db2.gz YAHACHDRMUXJHT-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)ccc1C(=O)[O-] ZINC000327749433 600886499 /nfs/dbraw/zinc/88/64/99/600886499.db2.gz MBDCPEXRBRUBFG-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cn[nH]c2)c(Br)cc1F ZINC000740088760 600898534 /nfs/dbraw/zinc/89/85/34/600898534.db2.gz XYGALPINHDWWRZ-UHFFFAOYSA-N -2 3 364.152 1.810 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2)cc1C(=O)[O-] ZINC000833028256 601220775 /nfs/dbraw/zinc/22/07/75/601220775.db2.gz NABXIOCCKJUEQJ-LBPRGKRZSA-N -2 3 350.396 1.843 20 0 FDADHL COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831650481 601224324 /nfs/dbraw/zinc/22/43/24/601224324.db2.gz LKZARPOMPDIFDX-CYBMUJFWSA-N -2 3 353.396 1.822 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(C)o1 ZINC000831034298 601358140 /nfs/dbraw/zinc/35/81/40/601358140.db2.gz SUGAAPMIBRJEMM-CYBMUJFWSA-N -2 3 371.342 1.618 20 0 FDADHL O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000833154685 601438266 /nfs/dbraw/zinc/43/82/66/601438266.db2.gz XTAROIOMQURPOQ-NEPJUHHUSA-N -2 3 366.801 1.943 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000832993322 601759039 /nfs/dbraw/zinc/75/90/39/601759039.db2.gz SANQZRNYLDJTLR-IAQYHMDHSA-N -2 3 370.409 1.252 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC000827553824 601796891 /nfs/dbraw/zinc/79/68/91/601796891.db2.gz QCHHDQUCKFXDTM-IUCAKERBSA-N -2 3 357.363 1.577 20 0 FDADHL CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739320493 601880818 /nfs/dbraw/zinc/88/08/18/601880818.db2.gz GCWCKZOTHHIECS-GFCCVEGCSA-N -2 3 373.431 1.832 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826303858 607534455 /nfs/dbraw/zinc/53/44/55/607534455.db2.gz JEXPVBJUAUFVCG-UHFFFAOYSA-N -2 3 373.394 1.747 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826303858 607534457 /nfs/dbraw/zinc/53/44/57/607534457.db2.gz JEXPVBJUAUFVCG-UHFFFAOYSA-N -2 3 373.394 1.747 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c(=O)[n-]1 ZINC000740218070 602017895 /nfs/dbraw/zinc/01/78/95/602017895.db2.gz OWEFYERBBJHZIM-SMDDNHRTSA-N -2 3 350.419 1.769 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCOC2)c(Br)o1 ZINC000109546591 602153477 /nfs/dbraw/zinc/15/34/77/602153477.db2.gz ZCQQAJZHAONDLP-LURJTMIESA-N -2 3 354.178 1.198 20 0 FDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169159029 602156073 /nfs/dbraw/zinc/15/60/73/602156073.db2.gz FMQJDHUILQAOKN-RXMQYKEDSA-N -2 3 358.235 1.770 20 0 FDADHL COc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1NC(=O)[O-] ZINC000739924673 602453173 /nfs/dbraw/zinc/45/31/73/602453173.db2.gz VFSDMZLUPUJJQV-UHFFFAOYSA-N -2 3 355.306 1.921 20 0 FDADHL O=C([O-])N[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000740693076 602500880 /nfs/dbraw/zinc/50/08/80/602500880.db2.gz ZGCJGFFAWZFCLF-AWEZNQCLSA-N -2 3 352.354 1.492 20 0 FDADHL CCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342935 602554043 /nfs/dbraw/zinc/55/40/43/602554043.db2.gz LIFYQLYPNQSEOT-NSHDSACASA-N -2 3 360.370 1.566 20 0 FDADHL O=C([O-])NC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCCCC1 ZINC000740610751 602594933 /nfs/dbraw/zinc/59/49/33/602594933.db2.gz GYMVRPDMEOAXMD-CQSZACIVSA-N -2 3 359.382 1.517 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@](C)(CNC(=O)[O-])C2CC2)c1 ZINC000739783778 602708627 /nfs/dbraw/zinc/70/86/27/602708627.db2.gz DDLYOKNUDNZYHU-HNNXBMFYSA-N -2 3 374.390 1.327 20 0 FDADHL O=C([O-])N1CCC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740723008 602922977 /nfs/dbraw/zinc/92/29/77/602922977.db2.gz VRFWEPVOEJOREB-TZMCWYRMSA-N -2 3 362.382 1.682 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830861341 603135635 /nfs/dbraw/zinc/13/56/35/603135635.db2.gz NGZCOTAFKRXJMM-NXEZZACHSA-N -2 3 364.855 1.487 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c(=O)[n-]1 ZINC000740220422 603212157 /nfs/dbraw/zinc/21/21/57/603212157.db2.gz XQLPVNRWBKYWHB-MFKMUULPSA-N -2 3 366.418 1.351 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(C)o1 ZINC000828579479 603544068 /nfs/dbraw/zinc/54/40/68/603544068.db2.gz MUYAQIWGDCAYEH-PWSUYJOCSA-N -2 3 373.431 1.052 20 0 FDADHL CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000824025017 603776980 /nfs/dbraw/zinc/77/69/80/603776980.db2.gz LBBKFKXOUFIWJX-UHFFFAOYSA-N -2 3 356.400 1.620 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])c([O-])c1 ZINC000830217481 604003381 /nfs/dbraw/zinc/00/33/81/604003381.db2.gz YGTWQKXARCRVLX-CYBMUJFWSA-N -2 3 363.414 1.421 20 0 FDADHL C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCN(C(=O)[O-])C1 ZINC000825650721 604059832 /nfs/dbraw/zinc/05/98/32/604059832.db2.gz OWWSUJDUPLPVFO-GOSISDBHSA-N -2 3 361.398 1.067 20 0 FDADHL O=C([O-])N1CC([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000740488991 604413090 /nfs/dbraw/zinc/41/30/90/604413090.db2.gz KIOBGBZQSYDYRG-UHFFFAOYSA-N -2 3 353.169 1.229 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)c2)n1 ZINC000827557389 604718358 /nfs/dbraw/zinc/71/83/58/604718358.db2.gz ROQBCWQKLKLIFP-AWEZNQCLSA-N -2 3 372.381 1.729 20 0 FDADHL CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000777375570 605023337 /nfs/dbraw/zinc/02/33/37/605023337.db2.gz JACMQOWCYWXJGZ-LBPRGKRZSA-N -2 3 360.407 1.496 20 0 FDADHL CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000383401229 605035491 /nfs/dbraw/zinc/03/54/91/605035491.db2.gz YJSFZJDBPNUXEL-LLVKDONJSA-N -2 3 370.221 1.426 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833426869 605056330 /nfs/dbraw/zinc/05/63/30/605056330.db2.gz OWTCFQBDPRIANJ-CQSZACIVSA-N -2 3 357.428 1.321 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCC2)no1 ZINC000833755723 605198893 /nfs/dbraw/zinc/19/88/93/605198893.db2.gz ZAFBVCDROCOPEA-UHFFFAOYSA-N -2 3 369.374 1.963 20 0 FDADHL CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[N-]OC[C@H](C)NC(=O)[O-])C1 ZINC000833796149 605400385 /nfs/dbraw/zinc/40/03/85/605400385.db2.gz IRSHSVNKLDVDMO-STQMWFEESA-N -2 3 358.439 1.158 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(NC(=O)[O-])c2)c(C)o1 ZINC000828579342 605549851 /nfs/dbraw/zinc/54/98/51/605549851.db2.gz KYLDRRJZNMKKBK-UHFFFAOYSA-N -2 3 368.367 1.943 20 0 FDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc2O1 ZINC000820814414 606210120 /nfs/dbraw/zinc/21/01/20/606210120.db2.gz VCIQUSLVRMFJAT-SECBINFHSA-N -2 3 373.394 1.697 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000822154420 606392116 /nfs/dbraw/zinc/39/21/16/606392116.db2.gz WJNJPBPAMGIYOY-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000822154420 606392117 /nfs/dbraw/zinc/39/21/17/606392117.db2.gz WJNJPBPAMGIYOY-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821142688 606405525 /nfs/dbraw/zinc/40/55/25/606405525.db2.gz LJOXOFDROUZSKW-UHFFFAOYSA-N -2 3 374.426 1.276 20 0 FDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821142688 606405527 /nfs/dbraw/zinc/40/55/27/606405527.db2.gz LJOXOFDROUZSKW-UHFFFAOYSA-N -2 3 374.426 1.276 20 0 FDADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284891 606460186 /nfs/dbraw/zinc/46/01/86/606460186.db2.gz LWOQGDPZAGUJGY-VOTSOKGWSA-N -2 3 361.408 1.659 20 0 FDADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284891 606460188 /nfs/dbraw/zinc/46/01/88/606460188.db2.gz LWOQGDPZAGUJGY-VOTSOKGWSA-N -2 3 361.408 1.659 20 0 FDADHL O=C(CCc1ccoc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822982180 606613082 /nfs/dbraw/zinc/61/30/82/606613082.db2.gz AYOOTEOLNSIGMJ-UHFFFAOYSA-N -2 3 361.383 1.039 20 0 FDADHL O=C(CCc1ccoc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822982180 606613083 /nfs/dbraw/zinc/61/30/83/606613083.db2.gz AYOOTEOLNSIGMJ-UHFFFAOYSA-N -2 3 361.383 1.039 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820676747 606626415 /nfs/dbraw/zinc/62/64/15/606626415.db2.gz OAYHQEJKJHGXLL-UTEVDWOZSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820676747 606626417 /nfs/dbraw/zinc/62/64/17/606626417.db2.gz OAYHQEJKJHGXLL-UTEVDWOZSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000820526082 606653327 /nfs/dbraw/zinc/65/33/27/606653327.db2.gz IIJKVQNVZUCGCM-SNVBAGLBSA-N -2 3 365.415 1.023 20 0 FDADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821492562 606710406 /nfs/dbraw/zinc/71/04/06/606710406.db2.gz RNBZCHSLRNYKSP-UHFFFAOYSA-N -2 3 361.431 1.526 20 0 FDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000821588214 606820379 /nfs/dbraw/zinc/82/03/79/606820379.db2.gz HKXLSJOXXXPTPG-GFCCVEGCSA-N -2 3 366.447 1.244 20 0 FDADHL O=S(=O)([N-]CCc1cccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578914 606885149 /nfs/dbraw/zinc/88/51/49/606885149.db2.gz WKXGUUBJAATCTR-UHFFFAOYSA-N -2 3 366.353 1.061 20 0 FDADHL CC(C)(C)OCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819949977 606887727 /nfs/dbraw/zinc/88/77/27/606887727.db2.gz DWNMVTZIMZTUAV-UHFFFAOYSA-N -2 3 361.374 1.238 20 0 FDADHL COCCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821687016 606888080 /nfs/dbraw/zinc/88/80/80/606888080.db2.gz JSJLRKKJFXFTHD-UHFFFAOYSA-N -2 3 361.374 1.240 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000822221162 607001293 /nfs/dbraw/zinc/00/12/93/607001293.db2.gz CXYWPRRULJZSOS-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000821765335 607001570 /nfs/dbraw/zinc/00/15/70/607001570.db2.gz AAUWRYASPYDJMG-UHFFFAOYSA-N -2 3 369.794 1.063 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]c1C1CC1 ZINC000822020884 607152729 /nfs/dbraw/zinc/15/27/29/607152729.db2.gz MNVMBUIDFKUNRR-UHFFFAOYSA-N -2 3 363.378 1.716 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]c1C1CC1 ZINC000822020884 607152730 /nfs/dbraw/zinc/15/27/30/607152730.db2.gz MNVMBUIDFKUNRR-UHFFFAOYSA-N -2 3 363.378 1.716 20 0 FDADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000679292178 607826721 /nfs/dbraw/zinc/82/67/21/607826721.db2.gz MAWLNWKPQXAFHN-UHFFFAOYSA-N -2 3 361.431 1.526 20 0 FDADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000679292178 607826722 /nfs/dbraw/zinc/82/67/22/607826722.db2.gz MAWLNWKPQXAFHN-UHFFFAOYSA-N -2 3 361.431 1.526 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461282 608010696 /nfs/dbraw/zinc/01/06/96/608010696.db2.gz NPEFPEJVKSQPEZ-UHFFFAOYSA-N -2 3 371.394 1.319 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461282 608010697 /nfs/dbraw/zinc/01/06/97/608010697.db2.gz NPEFPEJVKSQPEZ-UHFFFAOYSA-N -2 3 371.394 1.319 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826492288 608307053 /nfs/dbraw/zinc/30/70/53/608307053.db2.gz BDANECNRRRHELI-UHFFFAOYSA-N -2 3 370.192 1.153 20 0 FDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825658665 608476424 /nfs/dbraw/zinc/47/64/24/608476424.db2.gz ITCPAZHTAWOPOK-UHFFFAOYSA-N -2 3 373.394 1.384 20 0 FDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825658665 608476425 /nfs/dbraw/zinc/47/64/25/608476425.db2.gz ITCPAZHTAWOPOK-UHFFFAOYSA-N -2 3 373.394 1.384 20 0 FDADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824465769 609254453 /nfs/dbraw/zinc/25/44/53/609254453.db2.gz SERWCIHELYPFLJ-UHFFFAOYSA-N -2 3 364.214 1.007 20 0 FDADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824465769 609254454 /nfs/dbraw/zinc/25/44/54/609254454.db2.gz SERWCIHELYPFLJ-UHFFFAOYSA-N -2 3 364.214 1.007 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000824745150 609259009 /nfs/dbraw/zinc/25/90/09/609259009.db2.gz NITAFWCXNLHYPN-GFCCVEGCSA-N -2 3 373.413 1.737 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000824745150 609259010 /nfs/dbraw/zinc/25/90/10/609259010.db2.gz NITAFWCXNLHYPN-GFCCVEGCSA-N -2 3 373.413 1.737 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc(Br)s1)c1ccccn1 ZINC000007386132 670546410 /nfs/dbraw/zinc/54/64/10/670546410.db2.gz WCTVIDFDVOINCE-UHFFFAOYSA-N -2 3 362.230 1.529 20 0 FDADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000037385795 670880066 /nfs/dbraw/zinc/88/00/66/670880066.db2.gz YOQBVTHDNZOQQY-MRVPVSSYSA-N -3 3 356.183 1.590 20 0 FDADHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c([O-])c1 ZINC000055647500 671237999 /nfs/dbraw/zinc/23/79/99/671237999.db2.gz FXVAWGVLFKMBGX-UHFFFAOYSA-N -2 3 365.367 1.541 20 0 FDADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1 ZINC000064467948 671326614 /nfs/dbraw/zinc/32/66/14/671326614.db2.gz NGVAYGQNDJQCED-UHFFFAOYSA-N -2 3 365.386 1.798 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1OC ZINC000262283808 672761840 /nfs/dbraw/zinc/76/18/40/672761840.db2.gz JOQRTQUZMQSLAX-NWDGAFQWSA-N -2 3 372.399 1.028 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000262743558 672839591 /nfs/dbraw/zinc/83/95/91/672839591.db2.gz IQXIXHRNWUAAON-IAQYHMDHSA-N -2 3 358.416 1.259 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000290659956 676222169 /nfs/dbraw/zinc/22/21/69/676222169.db2.gz NUJPLCJVWYVGID-QMMMGPOBSA-N -2 3 372.262 1.587 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])cc1OC ZINC000421804643 680677076 /nfs/dbraw/zinc/67/70/76/680677076.db2.gz JUMYRMVCAZAGIC-VHSXEESVSA-N -2 3 374.415 1.274 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1 ZINC000436994882 681752584 /nfs/dbraw/zinc/75/25/84/681752584.db2.gz OKFTVAYMZRLODX-UHFFFAOYSA-N -3 3 365.289 1.650 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000517033114 690026150 /nfs/dbraw/zinc/02/61/50/690026150.db2.gz GWAJPYIQKPKTQJ-RNCFNFMXSA-N -2 3 361.445 1.413 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000784896881 768828377 /nfs/dbraw/zinc/82/83/77/768828377.db2.gz ADBUDQAOEAMDEW-MRVPVSSYSA-N -2 3 364.420 1.048 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)c3c(=O)[nH][n-]c3C(C)C)cc2)cc(=O)[n-]1 ZINC000663218515 806094741 /nfs/dbraw/zinc/09/47/41/806094741.db2.gz GJRCRNHQZJHPNP-OAHLLOKOSA-N -2 3 353.382 1.854 20 0 FDADHL O=C(c1ccccc1[O-])N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000975674991 801961859 /nfs/dbraw/zinc/96/18/59/801961859.db2.gz VQDLMINNWMVZDZ-ZFWWWQNUSA-N -2 3 367.405 1.870 20 0 FDADHL O=C([O-])[C@]12CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C[C@H]1COCC2 ZINC000909568841 826573507 /nfs/dbraw/zinc/57/35/07/826573507.db2.gz XKPIZGFKNCBEKR-XHDPSFHLSA-N -2 3 359.300 1.974 20 0 FDADHL CN1CCC[C@@]2(CCN(S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])C2)C1 ZINC000906996947 853658160 /nfs/dbraw/zinc/65/81/60/853658160.db2.gz OFJQRJUVEHYLPJ-MRXNPFEDSA-N -2 3 354.428 1.197 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910590732 857381453 /nfs/dbraw/zinc/38/14/53/857381453.db2.gz IUWBSYDNLZDDIH-NEPJUHHUSA-N -2 3 358.188 1.907 20 0 FDADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000912558523 859907481 /nfs/dbraw/zinc/90/74/81/859907481.db2.gz OYCLXSLYYYHWMP-UHFFFAOYSA-N -2 3 361.420 1.208 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)no1 ZINC000673898025 881655000 /nfs/dbraw/zinc/65/50/00/881655000.db2.gz USDVBQXXLGBBHB-UHFFFAOYSA-N -2 3 363.392 1.548 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(F)cc1F ZINC000761231950 864465383 /nfs/dbraw/zinc/46/53/83/864465383.db2.gz UUGMGUXPPXZHEF-UHFFFAOYSA-N -2 3 371.317 1.870 20 0 FDADHL CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C(=O)[O-])c1 ZINC000496073868 877394337 /nfs/dbraw/zinc/39/43/37/877394337.db2.gz SJDAJQNLNSNBBE-UHFFFAOYSA-N -3 3 374.374 1.632 20 0 FDADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)c1ccccc1[O-] ZINC000993767086 879555966 /nfs/dbraw/zinc/55/59/66/879555966.db2.gz NAWHMGOFBNHQIR-CHWSQXEVSA-N -2 3 355.394 1.631 20 0 FDADHL CCS(=O)(CC)=NS(=O)(=O)[N-]CCc1c(F)cc([O-])cc1F ZINC000921966173 893591602 /nfs/dbraw/zinc/59/16/02/893591602.db2.gz WRNIHFMTWNNFKZ-UHFFFAOYSA-N -2 3 356.416 1.555 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)c(F)c1 ZINC000764542311 904967908 /nfs/dbraw/zinc/96/79/08/904967908.db2.gz SNSHOQYHCVQHHR-UHFFFAOYSA-N -2 3 363.367 1.532 20 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0 FDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ncc(Br)cc1[O-] ZINC001539569793 948548133 /nfs/dbraw/zinc/54/81/33/948548133.db2.gz NKIAQFWVBQNCNI-UHFFFAOYSA-N -2 3 361.159 1.982 20 0 FDADHL CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001573885175 950819843 /nfs/dbraw/zinc/81/98/43/950819843.db2.gz VMARXGOUCSFGPQ-UHFFFAOYSA-N -2 3 352.376 1.224 20 0 FDADHL CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001573885175 950819867 /nfs/dbraw/zinc/81/98/67/950819867.db2.gz VMARXGOUCSFGPQ-UHFFFAOYSA-N -2 3 352.376 1.224 20 0 FDADHL Cc1ncc(CO)c(C(=O)Nc2ncc([O-])cc2Br)c1[O-] ZINC001147834090 952543365 /nfs/dbraw/zinc/54/33/65/952543365.db2.gz NDJMRISEXDTCEH-UHFFFAOYSA-N -2 3 354.160 1.703 20 0 FDADHL CCS(=O)(=O)[N-][C@@H](CCSC)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001593355378 953358490 /nfs/dbraw/zinc/35/84/90/953358490.db2.gz YSOFMKGWXFQVCR-VIFPVBQESA-N -2 3 363.461 1.309 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589090087 955927172 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Cn1nccc1[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)[O-] ZINC001574472246 961602883 /nfs/dbraw/zinc/60/28/83/961602883.db2.gz KHTOOCRUDVIQRO-CQSZACIVSA-N -2 3 353.338 1.731 20 0 FDADHL COC(=O)C1CC2(C1)CN(Cc1ccc([O-])c(F)c1F)C[C@H]2C(=O)[O-] ZINC001574046235 962108614 /nfs/dbraw/zinc/10/86/14/962108614.db2.gz BSAGATXLTXOWLA-GCULGPDHSA-N -2 3 355.337 1.756 20 0 FDADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184815974 963724371 /nfs/dbraw/zinc/72/43/71/963724371.db2.gz OEVFQWOPJGVVDS-UHFFFAOYSA-N -2 3 364.626 1.226 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1nc(SC)ncc1[O-] ZINC001185160912 963837543 /nfs/dbraw/zinc/83/75/43/963837543.db2.gz DHBZKYOVZJEDSG-UHFFFAOYSA-N -2 3 366.355 1.058 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2c(CO)ccc(F)c2F)cc1C(=O)[O-] ZINC001185310810 963908093 /nfs/dbraw/zinc/90/80/93/963908093.db2.gz POPACRLIJMLWCT-UHFFFAOYSA-N -2 3 373.333 1.965 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)C3)cc1C(=O)[O-] ZINC001185314604 963908699 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Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568111 963982247 /nfs/dbraw/zinc/98/22/47/963982247.db2.gz NXTSKNFSRVHCOH-UHFFFAOYSA-N -2 3 373.442 1.973 20 0 FDADHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1C ZINC001185572160 963983412 /nfs/dbraw/zinc/98/34/12/963983412.db2.gz BKUHEDJVSZJMCY-UHFFFAOYSA-N -2 3 358.383 1.574 20 0 FDADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185598213 963997884 /nfs/dbraw/zinc/99/78/84/963997884.db2.gz YEIARKRTACOBSC-UHFFFAOYSA-N -2 3 361.383 1.685 20 0 FDADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185598213 963997888 /nfs/dbraw/zinc/99/78/88/963997888.db2.gz YEIARKRTACOBSC-UHFFFAOYSA-N -2 3 361.383 1.685 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)Cc1cccc(Br)c1 ZINC001188694472 966502418 /nfs/dbraw/zinc/50/24/18/966502418.db2.gz IZKGRMCWKGIOQA-UHFFFAOYSA-N -2 3 358.150 1.046 20 0 FDADHL COc1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852735232 967562930 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20 0 FDADHL Cc1ccnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC001193962334 969938084 /nfs/dbraw/zinc/93/80/84/969938084.db2.gz DIYCFFAQCRMZAX-UHFFFAOYSA-N -2 3 359.766 1.754 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)nc1 ZINC001193964502 969938764 /nfs/dbraw/zinc/93/87/64/969938764.db2.gz UPULNNUWHZRJIB-UHFFFAOYSA-N -2 3 359.766 1.754 20 0 FDADHL C[C@](O)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001195187417 970729422 /nfs/dbraw/zinc/72/94/22/970729422.db2.gz UROBCOKFSOSYPD-INIZCTEOSA-N -2 3 371.361 1.849 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)ccc1F ZINC001604248731 972773059 /nfs/dbraw/zinc/77/30/59/972773059.db2.gz KPKJOLDAHWKFGO-UHFFFAOYSA-N -2 3 353.331 1.079 20 0 FDADHL Cc1ccc([O-])c([N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001201651741 975113355 /nfs/dbraw/zinc/11/33/55/975113355.db2.gz PJKANWDZASCZQA-LLVKDONJSA-N -2 3 357.432 1.847 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])ccc1F ZINC001591668937 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CC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000268897174 180175554 /nfs/dbraw/zinc/17/55/54/180175554.db2.gz PXSDUFHAHHCMTK-INIZCTEOSA-N -2 3 374.434 1.886 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000530137203 539890696 /nfs/dbraw/zinc/89/06/96/539890696.db2.gz HRHWOMQFWQEXSO-JGVFFNPUSA-N -2 3 371.333 1.981 20 0 FDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530368102 539953874 /nfs/dbraw/zinc/95/38/74/539953874.db2.gz NKFQRJIPSXQJAW-NSHDSACASA-N -2 3 361.441 1.012 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530526795 539993181 /nfs/dbraw/zinc/99/31/81/539993181.db2.gz SCMLISKLAZUUEF-NSHDSACASA-N -2 3 359.375 1.534 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](CC3CCC3)C(=O)[O-])cnc2c1Cl ZINC000530525637 539993211 /nfs/dbraw/zinc/99/32/11/539993211.db2.gz JWIFSTSJCCMOKW-LLVKDONJSA-N -2 3 372.834 1.613 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CC3CCC3)C(=O)[O-])cnc2c1Cl ZINC000530525638 539993384 /nfs/dbraw/zinc/99/33/84/539993384.db2.gz JWIFSTSJCCMOKW-NSHDSACASA-N -2 3 372.834 1.613 20 0 FDADHL CCOC(=O)CCS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000274919452 181194533 /nfs/dbraw/zinc/19/45/33/181194533.db2.gz MMHNTKSTCCYCKY-UHFFFAOYSA-N -2 3 358.372 1.038 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000274948103 181202653 /nfs/dbraw/zinc/20/26/53/181202653.db2.gz FZCZAJKWGJICAO-WCBMZHEXSA-N -2 3 359.787 1.434 20 0 FDADHL O=C([O-])C1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000533183964 540212305 /nfs/dbraw/zinc/21/23/05/540212305.db2.gz HJMWWPMDARHRGM-UHFFFAOYSA-N -2 3 366.848 1.193 20 0 FDADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])s1 ZINC000275031498 181221432 /nfs/dbraw/zinc/22/14/32/181221432.db2.gz PYNIRBLSMOTUPN-SNVBAGLBSA-N -2 3 362.473 1.206 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000275038447 181223030 /nfs/dbraw/zinc/22/30/30/181223030.db2.gz GNQSBICLDVVUPZ-NSHDSACASA-N -2 3 363.819 1.904 20 0 FDADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])c1 ZINC000275079351 181233286 /nfs/dbraw/zinc/23/32/86/181233286.db2.gz MXHANUWJYZXKES-GFCCVEGCSA-N -2 3 356.425 1.434 20 0 FDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000275208833 181261025 /nfs/dbraw/zinc/26/10/25/181261025.db2.gz HMNRHOKIMFAAGJ-QMMMGPOBSA-N -2 3 354.331 1.980 20 0 FDADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000275268731 181275351 /nfs/dbraw/zinc/27/53/51/181275351.db2.gz MXLQUGDQUZGURL-UHFFFAOYSA-N -2 3 355.821 1.133 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])c1 ZINC000275300904 181284026 /nfs/dbraw/zinc/28/40/26/181284026.db2.gz QLYMHXYFKWDGJL-AWEZNQCLSA-N -2 3 366.443 1.156 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])s1 ZINC000275312415 181286901 /nfs/dbraw/zinc/28/69/01/181286901.db2.gz RLAUMHUSVKTGJL-LBPRGKRZSA-N -2 3 355.441 1.377 20 0 FDADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H](C)CN1C(=O)c1ncccc1[O-] ZINC000275381691 181304949 /nfs/dbraw/zinc/30/49/49/181304949.db2.gz XQTONVPUFGMHBB-TXEJJXNPSA-N -2 3 356.382 1.263 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)c1 ZINC000538299910 540838918 /nfs/dbraw/zinc/83/89/18/540838918.db2.gz ZGWVQAICOKBUER-UHFFFAOYSA-N -2 3 350.352 1.647 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000539397439 540955012 /nfs/dbraw/zinc/95/50/12/540955012.db2.gz BJYLNFHMCNSZIC-UHFFFAOYSA-N -2 3 356.787 1.954 20 0 FDADHL COc1nc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)n[n-]1 ZINC000541845318 541280240 /nfs/dbraw/zinc/28/02/40/541280240.db2.gz PBENSLRAJDXULF-UHFFFAOYSA-N -2 3 364.159 1.670 20 0 FDADHL COc1nnc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[n-]1 ZINC000541845318 541280242 /nfs/dbraw/zinc/28/02/42/541280242.db2.gz PBENSLRAJDXULF-UHFFFAOYSA-N -2 3 364.159 1.670 20 0 FDADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000542762829 541462687 /nfs/dbraw/zinc/46/26/87/541462687.db2.gz IBKRPCKPRVSAEA-UHFFFAOYSA-N -2 3 374.419 1.405 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000544264073 541742993 /nfs/dbraw/zinc/74/29/93/541742993.db2.gz QHUWRXBBYORJNN-UHFFFAOYSA-N -2 3 364.427 1.572 20 0 FDADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cn1C ZINC000544817094 541836882 /nfs/dbraw/zinc/83/68/82/541836882.db2.gz JXYQKGXAPCWMSF-UHFFFAOYSA-N -2 3 370.358 1.840 20 0 FDADHL C[C@H](CO[N-]C(=O)c1ccc2n[n-]c(=S)n2c1)NC(=O)OC(C)(C)C ZINC000297125935 184236490 /nfs/dbraw/zinc/23/64/90/184236490.db2.gz MTFYGDQNMWKCES-SECBINFHSA-N -2 3 367.431 1.593 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)COC3)sc1C(=O)[O-] ZINC000547551186 542370939 /nfs/dbraw/zinc/37/09/39/542370939.db2.gz KLIRGAKIRIMBJG-UHFFFAOYSA-N -2 3 354.409 1.658 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547550874 542371413 /nfs/dbraw/zinc/37/14/13/542371413.db2.gz DGAPSONEACORJT-KWQFWETISA-N -2 3 351.783 1.637 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000547560139 542374951 /nfs/dbraw/zinc/37/49/51/542374951.db2.gz XJBURAQLWKWCRF-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccccc1F ZINC000547564536 542376234 /nfs/dbraw/zinc/37/62/34/542376234.db2.gz ANPCNIOXDQMSKY-JTQLQIEISA-N -2 3 357.384 1.892 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2C)C(=O)[O-])c1 ZINC000547564295 542376575 /nfs/dbraw/zinc/37/65/75/542376575.db2.gz BBGQOFDPCGVXFD-CQSZACIVSA-N -2 3 351.428 1.433 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547565303 542377033 /nfs/dbraw/zinc/37/70/33/542377033.db2.gz LRZUJYBHLDGFII-BBRMVZONSA-N -2 3 373.402 1.924 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1 ZINC000547565534 542377078 /nfs/dbraw/zinc/37/70/78/542377078.db2.gz NIDYBFCSZPODJG-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000547612630 542391121 /nfs/dbraw/zinc/39/11/21/542391121.db2.gz NEHPJPJGBYOHJF-KOLCDFICSA-N -2 3 366.779 1.141 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000547878382 542473993 /nfs/dbraw/zinc/47/39/93/542473993.db2.gz YQFDZMHEFFMRCD-HQJQHLMTSA-N -2 3 371.308 1.613 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c1F ZINC000547886261 542477320 /nfs/dbraw/zinc/47/73/20/542477320.db2.gz TWVZCXKLZIMSRB-LBPRGKRZSA-N -2 3 355.391 1.089 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000547891693 542479222 /nfs/dbraw/zinc/47/92/22/542479222.db2.gz ZUWLAWWOCKZBKT-UHFFFAOYSA-N -2 3 374.371 1.246 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])cn1C ZINC000547889233 542478153 /nfs/dbraw/zinc/47/81/53/542478153.db2.gz FNVDNAYCYFXTMI-AWEZNQCLSA-N -2 3 351.428 1.259 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1 ZINC000547896908 542480946 /nfs/dbraw/zinc/48/09/46/542480946.db2.gz UOZHETORYMWGSR-LLVKDONJSA-N -2 3 364.217 1.599 20 0 FDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000547918285 542487894 /nfs/dbraw/zinc/48/78/94/542487894.db2.gz PZJWOMSXUMJJDF-UHFFFAOYSA-N -2 3 360.819 1.758 20 0 FDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 ZINC000547939567 542494327 /nfs/dbraw/zinc/49/43/27/542494327.db2.gz MLISBAJKXKAUDX-NKWVEPMBSA-N -2 3 358.759 1.082 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000547932522 542491506 /nfs/dbraw/zinc/49/15/06/542491506.db2.gz DEPRZALAMYAYGK-SNVBAGLBSA-N -2 3 374.846 1.860 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000547932113 542491510 /nfs/dbraw/zinc/49/15/10/542491510.db2.gz WYMQTZBJOHHIME-GFCCVEGCSA-N -2 3 373.408 1.794 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])c(Cl)c1Cl ZINC000548223873 542591670 /nfs/dbraw/zinc/59/16/70/542591670.db2.gz SSJPVZSRSDUNMH-SSDOTTSWSA-N -2 3 358.199 1.380 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000548527194 542690638 /nfs/dbraw/zinc/69/06/38/542690638.db2.gz QWUOEOCNWRUHHH-LBPRGKRZSA-N -2 3 364.383 1.142 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1 ZINC000548536730 542694875 /nfs/dbraw/zinc/69/48/75/542694875.db2.gz QWFQYTKOWCIRBQ-UHFFFAOYSA-N -2 3 362.410 1.168 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000548567309 542705575 /nfs/dbraw/zinc/70/55/75/542705575.db2.gz IORXRCFOXHTLOE-NSHDSACASA-N -2 3 369.420 1.509 20 0 FDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-] ZINC000548685067 542753100 /nfs/dbraw/zinc/75/31/00/542753100.db2.gz UOBBSTQUOLMMCY-OAHLLOKOSA-N -2 3 359.375 1.632 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000548771479 542775296 /nfs/dbraw/zinc/77/52/96/542775296.db2.gz JFUKUOJZAALLBZ-QLJPJBMISA-N -2 3 373.402 1.924 20 0 FDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548992627 542819666 /nfs/dbraw/zinc/81/96/66/542819666.db2.gz CVJSOYPGDQRMQV-CPCISQLKSA-N -2 3 352.334 1.878 20 0 FDADHL CCOCC(C)(C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000549865700 542956576 /nfs/dbraw/zinc/95/65/76/542956576.db2.gz ROZLKRDHQOVCPG-UHFFFAOYSA-N -2 3 368.452 1.291 20 0 FDADHL COC(=O)c1cccc2nc(NC(=O)c3cc(=O)[n-]c(N(C)C)n3)[n-]c21 ZINC000555282449 543936186 /nfs/dbraw/zinc/93/61/86/543936186.db2.gz WHWFOHXZNDQGQE-UHFFFAOYSA-N -2 3 356.342 1.163 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)c(F)c1 ZINC000555374712 543949419 /nfs/dbraw/zinc/94/94/19/543949419.db2.gz DEGJGKWWIYWERW-ZDUSSCGKSA-N -2 3 361.391 1.383 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000557083467 544242393 /nfs/dbraw/zinc/24/23/93/544242393.db2.gz MJZMHGUPCFEOHL-BDAKNGLRSA-N -2 3 369.365 1.712 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(F)c1 ZINC000330508453 259147954 /nfs/dbraw/zinc/14/79/54/259147954.db2.gz CBYNMCOISVBLNG-LLVKDONJSA-N -2 3 366.436 1.045 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000368851053 260247836 /nfs/dbraw/zinc/24/78/36/260247836.db2.gz NTAUUVWDRWSARJ-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000368851053 260247837 /nfs/dbraw/zinc/24/78/37/260247837.db2.gz NTAUUVWDRWSARJ-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000373528185 261017519 /nfs/dbraw/zinc/01/75/19/261017519.db2.gz HKCMWBSJOYOYQE-ZDUSSCGKSA-N -2 3 370.409 1.655 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(N)=O ZINC000032084574 519482004 /nfs/dbraw/zinc/48/20/04/519482004.db2.gz IUOYNOVZMSTIBY-UHFFFAOYSA-N -2 3 364.379 1.602 20 0 FDADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000036961386 519629398 /nfs/dbraw/zinc/62/93/98/519629398.db2.gz CMYDKDSCVATUAR-ZCFIWIBFSA-N -2 3 370.239 1.752 20 0 FDADHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000036961386 519629399 /nfs/dbraw/zinc/62/93/99/519629399.db2.gz CMYDKDSCVATUAR-ZCFIWIBFSA-N -2 3 370.239 1.752 20 0 FDADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242884 521931479 /nfs/dbraw/zinc/93/14/79/521931479.db2.gz DINIBJRJPRGRCI-JTQLQIEISA-N -2 3 351.222 1.622 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 ZINC000048382570 522725193 /nfs/dbraw/zinc/72/51/93/522725193.db2.gz WIRZBHPCDGRIML-UHFFFAOYSA-N -2 3 363.330 1.300 20 0 FDADHL O=C(NCCCNC(=O)c1c([O-])cc(F)cc1F)c1cccc([O-])c1 ZINC000102471131 525288100 /nfs/dbraw/zinc/28/81/00/525288100.db2.gz QCFQLEIEPJLGJM-UHFFFAOYSA-N -2 3 350.321 1.926 20 0 FDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cc4nnn[n-]4)cc3)ccc2O1 ZINC000164320974 525495157 /nfs/dbraw/zinc/49/51/57/525495157.db2.gz UYAHHJXXLQIPRF-LLVKDONJSA-N -2 3 371.422 1.915 20 0 FDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cc4nn[n-]n4)cc3)ccc2O1 ZINC000164320974 525495170 /nfs/dbraw/zinc/49/51/70/525495170.db2.gz UYAHHJXXLQIPRF-LLVKDONJSA-N -2 3 371.422 1.915 20 0 FDADHL CC(C)C[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000262800773 536904536 /nfs/dbraw/zinc/90/45/36/536904536.db2.gz RLZSNNSASVDWEA-XIKOKIGWSA-N -2 3 361.398 1.218 20 0 FDADHL C[C@]1(c2cccc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000262851750 536919852 /nfs/dbraw/zinc/91/98/52/536919852.db2.gz UCSHFTGZZYTEHE-UPRAQXHNSA-N -2 3 373.409 1.505 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(C)o1 ZINC000262892457 536931479 /nfs/dbraw/zinc/93/14/79/536931479.db2.gz OCAWJHDQAREKAB-CYBMUJFWSA-N -2 3 366.395 1.442 20 0 FDADHL CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000262952120 536947001 /nfs/dbraw/zinc/94/70/01/536947001.db2.gz LJOXTSVLJAWTNH-RBUKOAKNSA-N -2 3 373.409 1.314 20 0 FDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000263205371 536991867 /nfs/dbraw/zinc/99/18/67/536991867.db2.gz KPSICSFKPGJCFI-MRVPVSSYSA-N -2 3 360.363 1.285 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000263289848 537010302 /nfs/dbraw/zinc/01/03/02/537010302.db2.gz 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CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000416243520 537777984 /nfs/dbraw/zinc/77/79/84/537777984.db2.gz BFMMQEVVAUUWJN-RNCFNFMXSA-N -2 3 368.459 2.189 20 0 FDADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC000414459074 537811791 /nfs/dbraw/zinc/81/17/91/537811791.db2.gz VQFZAENQGRETKJ-UHFFFAOYSA-N -2 3 366.443 1.863 20 0 FDADHL CCN(CCNC(=O)c1ncc(C)cc1[O-])C(=O)c1ncc(C)cc1[O-] ZINC000444378647 538157100 /nfs/dbraw/zinc/15/71/00/538157100.db2.gz JSAOZBBTJCOOFB-UHFFFAOYSA-N -2 3 358.398 1.397 20 0 FDADHL CCc1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])ccc1[O-] ZINC000427913932 538252765 /nfs/dbraw/zinc/25/27/65/538252765.db2.gz PJUUBHSYFQJQCW-UHFFFAOYSA-N -2 3 350.396 1.821 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000562782305 546265448 /nfs/dbraw/zinc/26/54/48/546265448.db2.gz UXCVQXFLMOQBIO-ZJUUUORDSA-N -2 3 372.830 1.756 20 0 FDADHL CC(C)COC[C@@H]([N-]S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccco1 ZINC000563075288 546388799 /nfs/dbraw/zinc/38/87/99/546388799.db2.gz BCZUBRMINPNNPE-UONOGXRCSA-N -2 3 374.459 1.624 20 0 FDADHL CCCC[C@@H](COC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000563619779 546619207 /nfs/dbraw/zinc/61/92/07/546619207.db2.gz DPLPJTVPKKFYKB-VIFPVBQESA-N -2 3 351.446 1.938 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000564330071 546881643 /nfs/dbraw/zinc/88/16/43/546881643.db2.gz DKUKXVIRNBSIAR-CMPLNLGQSA-N -2 3 359.375 1.534 20 0 FDADHL Cc1nc(-c2ccc(N3CCc4nc[n-]c(=O)c4C3)nc2)[n-]c(=O)c1C ZINC000565630535 547423698 /nfs/dbraw/zinc/42/36/98/547423698.db2.gz GMSXWTLOJJVKHZ-UHFFFAOYSA-N -2 3 350.382 1.919 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000566174041 547639902 /nfs/dbraw/zinc/63/99/02/547639902.db2.gz OBQUYIITLZWIGM-AAEUAGOBSA-N -2 3 373.402 1.768 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCCc1cnn(C)c1 ZINC000566177097 547642724 /nfs/dbraw/zinc/64/27/24/547642724.db2.gz QGJJTTBHDDHZLA-UHFFFAOYSA-N -2 3 371.390 1.177 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000567793789 548261325 /nfs/dbraw/zinc/26/13/25/548261325.db2.gz GCEWMRIJCYXNFP-ZJUUUORDSA-N -2 3 361.441 1.691 20 0 FDADHL CCc1nc(C2([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCCC2)no1 ZINC000567805524 548265257 /nfs/dbraw/zinc/26/52/57/548265257.db2.gz IWQCENZNCCITIE-UHFFFAOYSA-N -2 3 354.388 1.406 20 0 FDADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)c[n-]c12 ZINC000567957797 548337650 /nfs/dbraw/zinc/33/76/50/548337650.db2.gz OVSMLUKYLNWPPO-UHFFFAOYSA-N -2 3 371.372 1.819 20 0 FDADHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568277174 548472392 /nfs/dbraw/zinc/47/23/92/548472392.db2.gz PNXBXGUIBCELLC-UHFFFAOYSA-N -2 3 369.355 1.419 20 0 FDADHL Cc1c([C@@H]([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)C(=O)[O-])cnn1C ZINC000568768926 548674262 /nfs/dbraw/zinc/67/42/62/548674262.db2.gz MARGHFFKZCVLLX-CYBMUJFWSA-N -2 3 370.431 1.259 20 0 FDADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cnn[n-]1 ZINC000568936070 548735291 /nfs/dbraw/zinc/73/52/91/548735291.db2.gz WKXKGDOUFHTONH-UHFFFAOYSA-N -2 3 350.385 1.314 20 0 FDADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1c[n-]nn1 ZINC000568936070 548735297 /nfs/dbraw/zinc/73/52/97/548735297.db2.gz WKXKGDOUFHTONH-UHFFFAOYSA-N -2 3 350.385 1.314 20 0 FDADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cn[n-]n1 ZINC000568936070 548735303 /nfs/dbraw/zinc/73/53/03/548735303.db2.gz WKXKGDOUFHTONH-UHFFFAOYSA-N -2 3 350.385 1.314 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000568957055 548742738 /nfs/dbraw/zinc/74/27/38/548742738.db2.gz UOAWPEFSVCFVKQ-HTQZYQBOSA-N -2 3 366.233 1.845 20 0 FDADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000569219992 548840269 /nfs/dbraw/zinc/84/02/69/548840269.db2.gz FBUFVSYXSYXQDL-AWEZNQCLSA-N -2 3 363.457 1.258 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H](C)C1 ZINC000570447957 549282549 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ZINC000576217892 550524027 /nfs/dbraw/zinc/52/40/27/550524027.db2.gz CPOHOUYPXNZEMV-VXNVDRBHSA-N -2 3 351.302 1.735 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cc1OC ZINC000576430563 550548618 /nfs/dbraw/zinc/54/86/18/550548618.db2.gz TZJRJILKNLPJKR-ZETCQYMHSA-N -2 3 371.333 1.477 20 0 FDADHL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1cccc2c1CNC2=O ZINC000576512032 550557177 /nfs/dbraw/zinc/55/71/77/550557177.db2.gz ZWUNYNPXWRQRMY-UHFFFAOYSA-N -2 3 360.391 1.499 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1F ZINC000576676611 550574246 /nfs/dbraw/zinc/57/42/46/550574246.db2.gz LREXSLFSBFDGCA-UHFFFAOYSA-N -2 3 362.379 1.674 20 0 FDADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000576924356 550600434 /nfs/dbraw/zinc/60/04/34/550600434.db2.gz RFIPCQFXBIXHMI-KWQFWETISA-N -2 3 374.390 1.818 20 0 FDADHL Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])nc1=N ZINC000577081300 550618521 /nfs/dbraw/zinc/61/85/21/550618521.db2.gz 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CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](OC)C[C@@H]3CC(=O)[O-])nc2)n1 ZINC000580080363 550941456 /nfs/dbraw/zinc/94/14/56/550941456.db2.gz WXJSKOJHYZDMBF-KGLIPLIRSA-N -2 3 358.398 1.875 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])nc1C ZINC000580308584 550965050 /nfs/dbraw/zinc/96/50/50/550965050.db2.gz MVRILSOWBQRYGB-CYBMUJFWSA-N -2 3 369.418 1.572 20 0 FDADHL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000580373332 550972081 /nfs/dbraw/zinc/97/20/81/550972081.db2.gz QKSFPSXKLZYNSD-UHFFFAOYSA-N -2 3 360.391 1.499 20 0 FDADHL COc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc(C)o2)C(=O)[O-])c1 ZINC000580957119 551037274 /nfs/dbraw/zinc/03/72/74/551037274.db2.gz JUWRRJKLMCJQBE-CYBMUJFWSA-N -2 3 353.396 1.818 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000582000759 551161655 /nfs/dbraw/zinc/16/16/55/551161655.db2.gz BLUPDWSSTJTNNW-YUMQZZPRSA-N -2 3 351.808 1.749 20 0 FDADHL O=C([O-])c1csc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1 ZINC000583601732 551374846 /nfs/dbraw/zinc/37/48/46/551374846.db2.gz IDBQOXVGPHDEEI-UHFFFAOYSA-N -2 3 359.363 1.891 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(F)cc1Br ZINC000584767337 551544245 /nfs/dbraw/zinc/54/42/45/551544245.db2.gz AEFDLABEEMJROQ-SECBINFHSA-N -2 3 370.196 1.011 20 0 FDADHL C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000584720382 551536213 /nfs/dbraw/zinc/53/62/13/551536213.db2.gz RWYDSHKACLSTGU-VHDGCEQUSA-N -2 3 360.410 1.566 20 0 FDADHL Cc1ccc(-c2cc(=NC(=O)CNC(=O)c3ccc([O-])cc3)[nH][n-]2)s1 ZINC000589693107 551742992 /nfs/dbraw/zinc/74/29/92/551742992.db2.gz GGFDSZKXCAWFOS-UHFFFAOYSA-N -2 3 356.407 2.521 20 0 FDADHL CCOC(=O)c1cnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)[n-]1 ZINC000590355334 551775555 /nfs/dbraw/zinc/77/55/55/551775555.db2.gz PHQIBPKLGNQRDF-UHFFFAOYSA-N -2 3 352.372 1.210 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000593218361 552074100 /nfs/dbraw/zinc/07/41/00/552074100.db2.gz SCNWUQUEBJMMST-GXSJLCMTSA-N -2 3 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CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(=O)[O-])c1)C1CC1 ZINC000629292308 557754263 /nfs/dbraw/zinc/75/42/63/557754263.db2.gz HSVUFHHAGZQEFH-ZDUSSCGKSA-N -3 3 357.384 1.640 20 0 FDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cscc1Br ZINC000630414468 557906731 /nfs/dbraw/zinc/90/67/31/557906731.db2.gz TZRQXSDKDPPGET-YFKPBYRVSA-N -2 3 364.189 1.897 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000630422729 557907937 /nfs/dbraw/zinc/90/79/37/557907937.db2.gz NJMRJHSSHDYJIM-ONGXEEELSA-N -2 3 354.211 1.904 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341069 598842142 /nfs/dbraw/zinc/84/21/42/598842142.db2.gz DKNPAEVQQXIODW-UHFFFAOYSA-N -2 3 363.330 1.535 20 0 FDADHL O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341069 598842143 /nfs/dbraw/zinc/84/21/43/598842143.db2.gz DKNPAEVQQXIODW-UHFFFAOYSA-N -2 3 363.330 1.535 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737061597 598948084 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Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000737226639 599030583 /nfs/dbraw/zinc/03/05/83/599030583.db2.gz XNDAGQDAQHPIEM-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL COC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000381331716 601804487 /nfs/dbraw/zinc/80/44/87/601804487.db2.gz XDXSQGKDFMBNQP-SNVBAGLBSA-N -2 3 372.262 1.587 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCOCC2)c(Br)o1 ZINC000111163957 602150387 /nfs/dbraw/zinc/15/03/87/602150387.db2.gz SOKXRNPQHWIXIZ-UHFFFAOYSA-N -2 3 368.205 1.445 20 0 FDADHL O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236483 599139656 /nfs/dbraw/zinc/13/96/56/599139656.db2.gz JZBQIDWPWAEUHD-UHFFFAOYSA-N -2 3 365.305 1.431 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cnc(Cl)c(Cl)c1 ZINC000823583542 599231926 /nfs/dbraw/zinc/23/19/26/599231926.db2.gz STVKRINCEGZPIQ-UHFFFAOYSA-N -2 3 372.197 1.764 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cnc(Cl)c(Cl)c1 ZINC000823583542 599231929 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605915569 /nfs/dbraw/zinc/91/55/69/605915569.db2.gz DCAAEZMDDTWOIF-GHMZBOCLSA-N -2 3 352.387 1.918 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC12CCCC2 ZINC000823284047 606157555 /nfs/dbraw/zinc/15/75/55/606157555.db2.gz ANHQRSRYVXTASB-ZDUSSCGKSA-N -2 3 361.427 1.393 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC12CCCC2 ZINC000823284047 606157557 /nfs/dbraw/zinc/15/75/57/606157557.db2.gz ANHQRSRYVXTASB-ZDUSSCGKSA-N -2 3 361.427 1.393 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2ncccc2c1 ZINC000823582927 606181524 /nfs/dbraw/zinc/18/15/24/606181524.db2.gz DGEULKVLTSLTLN-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284091 606460418 /nfs/dbraw/zinc/46/04/18/606460418.db2.gz CHSQWCXZDGAUCC-UHFFFAOYSA-N -2 3 369.815 1.700 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284091 606460420 /nfs/dbraw/zinc/46/04/20/606460420.db2.gz CHSQWCXZDGAUCC-UHFFFAOYSA-N -2 3 369.815 1.700 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570486 606465950 /nfs/dbraw/zinc/46/59/50/606465950.db2.gz KRELDWZDBQWTOT-VIFPVBQESA-N -2 3 363.424 1.749 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570486 606465953 /nfs/dbraw/zinc/46/59/53/606465953.db2.gz KRELDWZDBQWTOT-VIFPVBQESA-N -2 3 363.424 1.749 20 0 FDADHL CCCc1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821143381 606468744 /nfs/dbraw/zinc/46/87/44/606468744.db2.gz UFQFCFRBOQWDPI-UHFFFAOYSA-N -2 3 351.417 1.472 20 0 FDADHL CCCc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821143381 606468746 /nfs/dbraw/zinc/46/87/46/606468746.db2.gz UFQFCFRBOQWDPI-UHFFFAOYSA-N -2 3 351.417 1.472 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000822374185 606695809 /nfs/dbraw/zinc/69/58/09/606695809.db2.gz KPDRQFANXIXDGP-UHFFFAOYSA-N -2 3 370.398 1.327 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000822374185 606695810 /nfs/dbraw/zinc/69/58/10/606695810.db2.gz KPDRQFANXIXDGP-UHFFFAOYSA-N -2 3 370.398 1.327 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000820945280 606839416 /nfs/dbraw/zinc/83/94/16/606839416.db2.gz QOMFUXLCAMMQMN-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000820945280 606839418 /nfs/dbraw/zinc/83/94/18/606839418.db2.gz QOMFUXLCAMMQMN-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822523800 606888974 /nfs/dbraw/zinc/88/89/74/606888974.db2.gz VCSVNLXDRRSGGF-UHFFFAOYSA-N -2 3 370.341 1.228 20 0 FDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203435 606899313 /nfs/dbraw/zinc/89/93/13/606899313.db2.gz UCQUEHKLCVLADV-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203435 606899314 /nfs/dbraw/zinc/89/93/14/606899314.db2.gz UCQUEHKLCVLADV-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cnc1Cl ZINC000822211634 607026539 /nfs/dbraw/zinc/02/65/39/607026539.db2.gz IINXCCJEZTXLLE-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820684330 607095654 /nfs/dbraw/zinc/09/56/54/607095654.db2.gz OFOSTZAPCXWUEQ-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820684330 607095656 /nfs/dbraw/zinc/09/56/56/607095656.db2.gz OFOSTZAPCXWUEQ-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589418 607113478 /nfs/dbraw/zinc/11/34/78/607113478.db2.gz YSXXQYUQVVPFGD-UHFFFAOYSA-N -2 3 364.362 1.411 20 0 FDADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589418 607113479 /nfs/dbraw/zinc/11/34/79/607113479.db2.gz YSXXQYUQVVPFGD-UHFFFAOYSA-N -2 3 364.362 1.411 20 0 FDADHL CCOC(=O)Nc1ccc(NC(=O)c2ncccc2[O-])cc1-c1nnn[n-]1 ZINC000825545799 607780818 /nfs/dbraw/zinc/78/08/18/607780818.db2.gz XFVNGKOIVFDXBY-UHFFFAOYSA-N -2 3 369.341 1.788 20 0 FDADHL CCOC(=O)Nc1ccc(NC(=O)c2ncccc2[O-])cc1-c1nn[n-]n1 ZINC000825545799 607780819 /nfs/dbraw/zinc/78/08/19/607780819.db2.gz XFVNGKOIVFDXBY-UHFFFAOYSA-N -2 3 369.341 1.788 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000824274307 608011192 /nfs/dbraw/zinc/01/11/92/608011192.db2.gz GCOQJBFTXVRQCO-SNVBAGLBSA-N -2 3 373.822 1.298 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000824274307 608011193 /nfs/dbraw/zinc/01/11/93/608011193.db2.gz GCOQJBFTXVRQCO-SNVBAGLBSA-N -2 3 373.822 1.298 20 0 FDADHL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824927849 608141742 /nfs/dbraw/zinc/14/17/42/608141742.db2.gz QRYPTCIAOHXFDL-WPRPVWTQSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824927849 608141743 /nfs/dbraw/zinc/14/17/43/608141743.db2.gz QRYPTCIAOHXFDL-WPRPVWTQSA-N -2 3 369.834 1.761 20 0 FDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825074067 608144664 /nfs/dbraw/zinc/14/46/64/608144664.db2.gz DRXQLICHXBDVME-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825074067 608144665 /nfs/dbraw/zinc/14/46/65/608144665.db2.gz DRXQLICHXBDVME-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826288877 608227788 /nfs/dbraw/zinc/22/77/88/608227788.db2.gz AOEPKYRIOFPFCB-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826242779 608307207 /nfs/dbraw/zinc/30/72/07/608307207.db2.gz GBGVWZXBMBYSLC-UHFFFAOYSA-N -2 3 363.334 1.584 20 0 FDADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825066650 608473289 /nfs/dbraw/zinc/47/32/89/608473289.db2.gz CTCLEEOVMUFCOX-MRVPVSSYSA-N -2 3 373.822 1.394 20 0 FDADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000825750804 609340966 /nfs/dbraw/zinc/34/09/66/609340966.db2.gz XRNMFHGWPOUCHC-UHFFFAOYSA-N -2 3 355.767 1.266 20 0 FDADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000825750804 609340964 /nfs/dbraw/zinc/34/09/64/609340964.db2.gz XRNMFHGWPOUCHC-UHFFFAOYSA-N -2 3 355.767 1.266 20 0 FDADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ncccc1[O-] ZINC000826458770 609353044 /nfs/dbraw/zinc/35/30/44/609353044.db2.gz FFOJDNJAELFKCA-UHFFFAOYSA-N -2 3 366.316 1.544 20 0 FDADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ncccc1[O-] ZINC000826458770 609353047 /nfs/dbraw/zinc/35/30/47/609353047.db2.gz FFOJDNJAELFKCA-UHFFFAOYSA-N -2 3 366.316 1.544 20 0 FDADHL O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826461221 609384236 /nfs/dbraw/zinc/38/42/36/609384236.db2.gz LRQFLXDPKSJDHB-CQSZACIVSA-N -2 3 371.378 1.071 20 0 FDADHL O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826461221 609384238 /nfs/dbraw/zinc/38/42/38/609384238.db2.gz LRQFLXDPKSJDHB-CQSZACIVSA-N -2 3 371.378 1.071 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(C)(C)C1 ZINC000826279280 609404899 /nfs/dbraw/zinc/40/48/99/609404899.db2.gz LSJWVEQAEAUEOA-LBPRGKRZSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(C)(C)C1 ZINC000826279280 609404901 /nfs/dbraw/zinc/40/49/01/609404901.db2.gz LSJWVEQAEAUEOA-LBPRGKRZSA-N -2 3 363.443 1.806 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000275083260 674605392 /nfs/dbraw/zinc/60/53/92/674605392.db2.gz ZEABPNHPTVMPQF-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015509932 670630112 /nfs/dbraw/zinc/63/01/12/670630112.db2.gz ZRCDKTZZXJDDTM-UHFFFAOYSA-N -2 3 365.367 1.373 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1F ZINC000044253901 670955783 /nfs/dbraw/zinc/95/57/83/670955783.db2.gz VQOCSULRYPOEEZ-UHFFFAOYSA-N -2 3 362.338 1.555 20 0 FDADHL O=C(N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[O-] ZINC000055556813 671236509 /nfs/dbraw/zinc/23/65/09/671236509.db2.gz GOPYYIZEHVAVBP-UHFFFAOYSA-N -2 3 371.758 1.577 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c(C)c1Cl ZINC000278750705 675190169 /nfs/dbraw/zinc/19/01/69/675190169.db2.gz RBCDMFMPPWSUJY-ONEGZZNKSA-N -2 3 353.805 1.416 20 0 FDADHL Cc1n[n-]c(=S)n1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084404766 671476775 /nfs/dbraw/zinc/47/67/75/671476775.db2.gz JAUQMCPIJZMUQO-UHFFFAOYSA-N -2 3 362.390 1.710 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000152778554 671889790 /nfs/dbraw/zinc/88/97/90/671889790.db2.gz UBJJXZGLFWQGHC-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000152778554 671889797 /nfs/dbraw/zinc/88/97/97/671889797.db2.gz UBJJXZGLFWQGHC-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282042330 675590275 /nfs/dbraw/zinc/59/02/75/675590275.db2.gz SLXMWVKCCKAJDE-MRVPVSSYSA-N -2 3 372.624 1.216 20 0 FDADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000324167343 676567883 /nfs/dbraw/zinc/56/78/83/676567883.db2.gz FEJUHZLQSZMMFX-UHFFFAOYSA-N -2 3 351.315 1.494 20 0 FDADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000326958548 676587250 /nfs/dbraw/zinc/58/72/50/676587250.db2.gz CGGTXWSVCWZWAC-UHFFFAOYSA-N -2 3 352.343 1.684 20 0 FDADHL COc1cccc(S([O-])=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000424770721 680857680 /nfs/dbraw/zinc/85/76/80/680857680.db2.gz JQIQPZMCIMRHTI-DEOSSOPVSA-N -2 3 362.333 1.256 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(O)c1 ZINC000433488579 681195303 /nfs/dbraw/zinc/19/53/03/681195303.db2.gz OPXXYJJQMTYXDL-UHFFFAOYSA-N -4 3 353.308 1.295 20 0 FDADHL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433493045 681196013 /nfs/dbraw/zinc/19/60/13/681196013.db2.gz XIGHCRIRLWHPLK-UHFFFAOYSA-N -3 3 367.379 1.916 20 0 FDADHL CCCCn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000448130415 682596418 /nfs/dbraw/zinc/59/64/18/682596418.db2.gz RCFRFLIHEZQCPX-UHFFFAOYSA-N -2 3 362.411 1.676 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000484559891 686605344 /nfs/dbraw/zinc/60/53/44/686605344.db2.gz STASGFJFKJOWBM-UHFFFAOYSA-N -2 3 356.331 1.528 20 0 FDADHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000504286675 688426269 /nfs/dbraw/zinc/42/62/69/688426269.db2.gz SDIQIDWKBGYZQX-UHFFFAOYSA-N -2 3 359.400 1.877 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)c1 ZINC000512720313 689634761 /nfs/dbraw/zinc/63/47/61/689634761.db2.gz KIUHLUOQKHZLOS-UHFFFAOYSA-N -2 3 354.359 1.640 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000516358783 689945574 /nfs/dbraw/zinc/94/55/74/689945574.db2.gz YKLTVPSXAAPOLH-UHFFFAOYSA-N -2 3 350.418 1.596 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1OC ZINC000518026795 690114341 /nfs/dbraw/zinc/11/43/41/690114341.db2.gz HOBGQZOEZFRGOV-UHFFFAOYSA-N -2 3 362.363 1.388 20 0 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C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000398137602 973074412 /nfs/dbraw/zinc/07/44/12/973074412.db2.gz NCNBIFBVWZHRIL-RNFRBKRXSA-N -2 3 368.205 1.586 20 0 FDADHL O=C([O-])CCC1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001606131742 973378049 /nfs/dbraw/zinc/37/80/49/973378049.db2.gz CUEMTSGMOUMUKQ-ZDUSSCGKSA-N -2 3 363.418 1.047 20 0 FDADHL COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)COCC(=O)[O-] ZINC001604892718 974149299 /nfs/dbraw/zinc/14/92/99/974149299.db2.gz MHYSCNMTRUWOBH-UHFFFAOYSA-N -2 3 362.342 1.019 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(C(F)(F)F)nn1CC1CC1 ZINC001199597190 974397333 /nfs/dbraw/zinc/39/73/33/974397333.db2.gz MOQKQQMVCWPRIT-UHFFFAOYSA-N -2 3 369.280 2.000 20 0 FDADHL C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848582057 976911977 /nfs/dbraw/zinc/91/19/77/976911977.db2.gz FPTCUZOXTZLQIU-GJMOJQLCSA-N -2 3 363.340 1.758 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCSCC(=O)[O-])c1 ZINC000848675502 976990052 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980549372 /nfs/dbraw/zinc/54/93/72/980549372.db2.gz VYZMFOPJXJHHBG-LLVKDONJSA-N -2 3 359.322 1.740 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826272573 980713432 /nfs/dbraw/zinc/71/34/32/980713432.db2.gz QJMITCATUIMMHG-UHFFFAOYSA-N -2 3 371.785 1.800 20 0 FDADHL CCC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC001595554222 981435260 /nfs/dbraw/zinc/43/52/60/981435260.db2.gz WGEBTAPPBWFDED-INIZCTEOSA-N -2 3 372.418 1.640 20 0 FDADHL Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000645958135 1014975040 /nfs/dbraw/zinc/97/50/40/1014975040.db2.gz YGFRCEPHXBZHDQ-LBPRGKRZSA-N -2 3 355.368 1.004 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](COC2CCC2)C(=O)[O-])c1 ZINC001588661596 983786546 /nfs/dbraw/zinc/78/65/46/983786546.db2.gz MLPSBFFZOLTGEB-AWEZNQCLSA-N -2 3 362.382 1.611 20 0 FDADHL CCN1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C(C)(C)C1 ZINC001596403178 983961781 /nfs/dbraw/zinc/96/17/81/983961781.db2.gz 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC3(C(=O)[O-])CC3)c2)n1 ZINC001597421811 987742944 /nfs/dbraw/zinc/74/29/44/987742944.db2.gz ZMBYUMSKZNADFY-UHFFFAOYSA-N -2 3 370.365 1.084 20 0 FDADHL C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599860193 989155487 /nfs/dbraw/zinc/15/54/87/989155487.db2.gz BKTUYPCUSUZZFX-MWLCHTKSSA-N -2 3 374.415 1.512 20 0 FDADHL CC(C)(C)OCCS(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001590388305 989907557 /nfs/dbraw/zinc/90/75/57/989907557.db2.gz DPSRWZLMPJJEOQ-NSHDSACASA-N -2 3 367.464 1.296 20 0 FDADHL COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001599685138 990975390 /nfs/dbraw/zinc/97/53/90/990975390.db2.gz BHIVKRMEBGUMCR-WDEREUQCSA-N -2 3 354.409 1.684 20 0 FDADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1 ZINC001599744446 991910081 /nfs/dbraw/zinc/91/00/81/991910081.db2.gz YEXJHMSCPDZCIK-YVLKKUGNSA-N -2 3 358.441 1.087 20 0 FDADHL COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001599608607 993921603 /nfs/dbraw/zinc/92/16/03/993921603.db2.gz OVHIEXRUEOWQDI-LLVKDONJSA-N -2 3 359.400 1.018 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H](O)C(F)(F)F ZINC001593325836 994869678 /nfs/dbraw/zinc/86/96/78/994869678.db2.gz DFWZBKJUJFXTLS-CDUCUWFYSA-N -2 3 361.725 1.628 20 0 FDADHL C[C@@]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)(C(=O)[O-])C1CC1 ZINC001593330576 994894859 /nfs/dbraw/zinc/89/48/59/994894859.db2.gz KRRYEGBLSRWXLW-LBPRGKRZSA-N -2 3 361.832 1.876 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001593347462 994957581 /nfs/dbraw/zinc/95/75/81/994957581.db2.gz LRHVQTHBSHRMHR-CWMRNNLJSA-N -2 3 374.465 1.618 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC001593347562 994958468 /nfs/dbraw/zinc/95/84/68/994958468.db2.gz PADLBFLSPQPJKY-MWLCHTKSSA-N -2 3 356.425 1.112 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H]1OCCc2sccc21 ZINC001593348146 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/nfs/dbraw/zinc/80/28/37/548802837.db2.gz AEGBYMYIFLBPPD-MRVPVSSYSA-N -2 3 372.428 1.168 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000569121345 548804739 /nfs/dbraw/zinc/80/47/39/548804739.db2.gz DZJCNLOUIUCIPJ-GFCCVEGCSA-N -2 3 363.457 1.258 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)cc1C(=O)[O-] ZINC000569967138 549113411 /nfs/dbraw/zinc/11/34/11/549113411.db2.gz SYYBRIOKSRXEHN-NSHDSACASA-N -2 3 366.399 1.024 20 0 FDADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(C)cc3F)nc2n1 ZINC000570268334 549218371 /nfs/dbraw/zinc/21/83/71/549218371.db2.gz AVUCNJFFOOOCRH-UHFFFAOYSA-N -2 3 365.390 1.618 20 0 FDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C12CCCC2 ZINC000570393422 549262868 /nfs/dbraw/zinc/26/28/68/549262868.db2.gz HJLKSPAKNCWWQM-VHSXEESVSA-N -2 3 360.457 1.857 20 0 FDADHL C[C@@]1(c2ccc(CN=c3[n-]c(C4CCOCC4)no3)cc2)NC(=O)[N-]C1=O ZINC000570907564 549455522 /nfs/dbraw/zinc/45/55/22/549455522.db2.gz DWKJPAQDWRCFOP-SFHVURJKSA-N -2 3 371.397 1.052 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000571163442 549548069 /nfs/dbraw/zinc/54/80/69/549548069.db2.gz DQOKEBWHFFYQQY-UHFFFAOYSA-N -2 3 373.481 1.698 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)c1nc(C2CC2)no1 ZINC000571795245 549766245 /nfs/dbraw/zinc/76/62/45/549766245.db2.gz PWGAJAITZUMSCS-VXGBXAGGSA-N -2 3 372.447 1.275 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)cc1Br ZINC000572821669 550001781 /nfs/dbraw/zinc/00/17/81/550001781.db2.gz GARRMRSMEUZHFX-VIFPVBQESA-N -2 3 370.196 1.011 20 0 FDADHL CCc1cnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)s1 ZINC000573005599 550043882 /nfs/dbraw/zinc/04/38/82/550043882.db2.gz UVJZDTUQYOEELD-UHFFFAOYSA-N -2 3 374.415 1.787 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])cn1C ZINC000573329553 550113594 /nfs/dbraw/zinc/11/35/94/550113594.db2.gz NNYGRILFORRPGW-CYBMUJFWSA-N -2 3 367.427 1.223 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C(C)(C)C)no1 ZINC000574163673 550268603 /nfs/dbraw/zinc/26/86/03/550268603.db2.gz XHQOEIUCUGULOP-QMMMGPOBSA-N -2 3 356.404 1.443 20 0 FDADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000574500651 550323969 /nfs/dbraw/zinc/32/39/69/550323969.db2.gz BMYMNGYUPLWGGH-WFASDCNBSA-N -2 3 372.374 1.572 20 0 FDADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000576924354 550600480 /nfs/dbraw/zinc/60/04/80/550600480.db2.gz RFIPCQFXBIXHMI-GZMMTYOYSA-N -2 3 374.390 1.818 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000577091119 550619766 /nfs/dbraw/zinc/61/97/66/550619766.db2.gz GHXSZSXZYUKJRV-UHFFFAOYSA-N -2 3 359.404 1.238 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)Oc1ccccc1 ZINC000577984750 550715507 /nfs/dbraw/zinc/71/55/07/550715507.db2.gz RZLFLRCELJBIFC-AAEUAGOBSA-N -2 3 363.382 1.873 20 0 FDADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578457821 550765753 /nfs/dbraw/zinc/76/57/53/550765753.db2.gz LICMJRAZWWKEIM-ZETCQYMHSA-N -2 3 372.624 1.216 20 0 FDADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000578641019 550785889 /nfs/dbraw/zinc/78/58/89/550785889.db2.gz GXUGEVWCPOAKEP-KRTXAFLBSA-N -2 3 360.363 1.284 20 0 FDADHL COc1cc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])ccc1C ZINC000578646607 550786914 /nfs/dbraw/zinc/78/69/14/550786914.db2.gz CKNGIRIJKIYIHV-UHFFFAOYSA-N -2 3 356.425 1.679 20 0 FDADHL COc1cccc(C[C@H](C[N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])c1 ZINC000579201420 550846256 /nfs/dbraw/zinc/84/62/56/550846256.db2.gz CLHDEPREJIYVBB-GFCCVEGCSA-N -2 3 368.386 1.451 20 0 FDADHL CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C1(C(=O)[O-])CCCCC1 ZINC000579497092 550879929 /nfs/dbraw/zinc/87/99/29/550879929.db2.gz BORFWAXAEDICCF-UHFFFAOYSA-N -2 3 351.428 1.728 20 0 FDADHL COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c1 ZINC000580189999 550952704 /nfs/dbraw/zinc/95/27/04/550952704.db2.gz ALNMEMZQCXGWSV-JTQLQIEISA-N -2 3 370.196 1.300 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1c(C)noc1C ZINC000580427707 550981083 /nfs/dbraw/zinc/98/10/83/550981083.db2.gz LMNJWZOAXIVXLE-UHFFFAOYSA-N -2 3 360.413 1.581 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@@H](C)C(=O)[O-] ZINC000581532927 551100492 /nfs/dbraw/zinc/10/04/92/551100492.db2.gz SJBKQDGKEJBMRH-RNFRBKRXSA-N -2 3 354.197 1.976 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2)c1ccco1 ZINC000581546425 551102544 /nfs/dbraw/zinc/10/25/44/551102544.db2.gz OBDQGLYKJIBXDD-WFASDCNBSA-N -2 3 367.379 1.334 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(C)c(F)cc3F)nc2n1 ZINC000581571104 551105862 /nfs/dbraw/zinc/10/58/62/551105862.db2.gz ZUMIOXUZJCHQJW-UHFFFAOYSA-N -2 3 369.353 1.367 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C3CCOCC3)cn21 ZINC000582654992 551252360 /nfs/dbraw/zinc/25/23/60/551252360.db2.gz YGFORZFEUSKJJI-WCQYABFASA-N -2 3 371.459 1.329 20 0 FDADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C2CC2)n1 ZINC000583082440 551301011 /nfs/dbraw/zinc/30/10/11/551301011.db2.gz XIOGOROSAKJSEM-GFCCVEGCSA-N -2 3 353.425 1.974 20 0 FDADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3c(C)cccc3F)nc2n1 ZINC000583225537 551321750 /nfs/dbraw/zinc/32/17/50/551321750.db2.gz CBTROSHAWWSCPG-UHFFFAOYSA-N -2 3 365.390 1.618 20 0 FDADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCOC1 ZINC000583866827 551412712 /nfs/dbraw/zinc/41/27/12/551412712.db2.gz IKOXWPAJNLXBIQ-NSHDSACASA-N -2 3 354.306 1.013 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)cn1C ZINC000583992061 551431611 /nfs/dbraw/zinc/43/16/11/551431611.db2.gz MMROTTMTROBRFY-UHFFFAOYSA-N -2 3 367.427 1.451 20 0 FDADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@H](C)[C@H]1OC ZINC000584527436 551512394 /nfs/dbraw/zinc/51/23/94/551512394.db2.gz MBJAHQCCWQAGDY-XXILOJSOSA-N -2 3 362.473 1.959 20 0 FDADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCOC(C)C)c1[O-] ZINC000586750887 551614020 /nfs/dbraw/zinc/61/40/20/551614020.db2.gz WQFMGEVAGCCJNA-UHFFFAOYSA-N -2 3 351.808 1.999 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)c[n-]1 ZINC000591260785 551854383 /nfs/dbraw/zinc/85/43/83/551854383.db2.gz VSCOUYICTSPYJM-UHFFFAOYSA-N -2 3 365.367 1.352 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)[n-]1 ZINC000591260785 551854384 /nfs/dbraw/zinc/85/43/84/551854384.db2.gz VSCOUYICTSPYJM-UHFFFAOYSA-N -2 3 365.367 1.352 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000592352870 551983824 /nfs/dbraw/zinc/98/38/24/551983824.db2.gz GJOFIQMKOWLCMC-OAHLLOKOSA-N -2 3 373.427 1.362 20 0 FDADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000592449060 551997315 /nfs/dbraw/zinc/99/73/15/551997315.db2.gz HOMNSDFAWBAOOJ-QMMMGPOBSA-N -2 3 372.390 1.833 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000593272248 552080280 /nfs/dbraw/zinc/08/02/80/552080280.db2.gz HUTXURDANLZBNO-LLVKDONJSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000594573567 552335360 /nfs/dbraw/zinc/33/53/60/552335360.db2.gz MSJSSNBRRQTJKM-SECBINFHSA-N -2 3 353.755 1.218 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2cccc(C(=O)OC)c2[O-])CCOCC1 ZINC000600647716 553291291 /nfs/dbraw/zinc/29/12/91/553291291.db2.gz KPDDHXBQNWRGRT-UHFFFAOYSA-N -2 3 373.427 1.506 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000605532738 553997530 /nfs/dbraw/zinc/99/75/30/553997530.db2.gz OYFKJUKULRHASV-UHFFFAOYSA-N -2 3 358.383 1.561 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000605532738 553997531 /nfs/dbraw/zinc/99/75/31/553997531.db2.gz OYFKJUKULRHASV-UHFFFAOYSA-N -2 3 358.383 1.561 20 0 FDADHL Cc1ccsc1S(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000607614154 554164109 /nfs/dbraw/zinc/16/41/09/554164109.db2.gz ZJHNWYDMCNYUDH-HNNXBMFYSA-N -2 3 365.436 1.912 20 0 FDADHL CC1N=NC(C(=O)Nc2cc(I)ccc2[O-])=C1[O-] ZINC000610987167 554590816 /nfs/dbraw/zinc/59/08/16/554590816.db2.gz RPAXWEQLPSOBSK-UHFFFAOYSA-N -2 3 359.123 1.986 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000614343639 555040742 /nfs/dbraw/zinc/04/07/42/555040742.db2.gz YKZDDZZNNNJHLN-UHFFFAOYSA-N -2 3 367.379 1.805 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)[n-]1 ZINC000617873837 555527847 /nfs/dbraw/zinc/52/78/47/555527847.db2.gz OMRBFYRONGYQJF-UHFFFAOYSA-N -2 3 355.354 1.626 20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c[n-]1 ZINC000617873837 555527848 /nfs/dbraw/zinc/52/78/48/555527848.db2.gz OMRBFYRONGYQJF-UHFFFAOYSA-N -2 3 355.354 1.626 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[n-]1 ZINC000619447769 555778896 /nfs/dbraw/zinc/77/88/96/555778896.db2.gz NRSKYSRREVGNSM-LBPRGKRZSA-N -2 3 372.381 1.535 20 0 FDADHL CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c[n-]1 ZINC000619447769 555778897 /nfs/dbraw/zinc/77/88/97/555778897.db2.gz NRSKYSRREVGNSM-LBPRGKRZSA-N -2 3 372.381 1.535 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)o1 ZINC000621585454 556115715 /nfs/dbraw/zinc/11/57/15/556115715.db2.gz ASNNKLCWIDFHOQ-ZDUSSCGKSA-N -2 3 358.416 1.259 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000621584991 556115763 /nfs/dbraw/zinc/11/57/63/556115763.db2.gz NILAKLQLPHQZLL-ZWNOBZJWSA-N -2 3 374.484 1.565 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])CCOCC1 ZINC000629291156 557753578 /nfs/dbraw/zinc/75/35/78/557753578.db2.gz MWKPNODCJMOAJE-UHFFFAOYSA-N -2 3 361.391 1.851 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000629292240 557754324 /nfs/dbraw/zinc/75/43/24/557754324.db2.gz DHECHJMAMJJLCW-UHFFFAOYSA-N -2 3 357.306 1.737 20 0 FDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000629294073 557754576 /nfs/dbraw/zinc/75/45/76/557754576.db2.gz VKTAICIZPSJCFO-CQSZACIVSA-N -2 3 373.381 1.728 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)CCOCC1 ZINC000629296189 557755284 /nfs/dbraw/zinc/75/52/84/557755284.db2.gz FQAFZGHFYBLPRN-UHFFFAOYSA-N -2 3 373.427 1.721 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2cc([O-])c(F)cc2F)CCOCC1 ZINC000629300926 557756789 /nfs/dbraw/zinc/75/67/89/557756789.db2.gz WBZJPIMPSKONND-UHFFFAOYSA-N -2 3 351.371 1.998 20 0 FDADHL Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000629332398 557766595 /nfs/dbraw/zinc/76/65/95/557766595.db2.gz GFOHKTPCWJLAKK-UHFFFAOYSA-N -2 3 353.278 1.209 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)ccc1F ZINC000630323222 557897722 /nfs/dbraw/zinc/89/77/22/557897722.db2.gz AQHHHJLRBOYBMK-UHFFFAOYSA-N -2 3 356.375 1.419 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)[C@@H]1CCCO1 ZINC000630422417 557907971 /nfs/dbraw/zinc/90/79/71/557907971.db2.gz LSMKNVYUCZDFEN-SWLSCSKDSA-N -2 3 353.371 1.889 20 0 FDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1 ZINC000634796965 558529824 /nfs/dbraw/zinc/52/98/24/558529824.db2.gz MKNJNZYCCKOYAA-QMMMGPOBSA-N -2 3 366.233 1.853 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738213298 598842057 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FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC000736678122 599192659 /nfs/dbraw/zinc/19/26/59/599192659.db2.gz SWIVNEKRNNWZFU-UHFFFAOYSA-N -2 3 367.822 1.617 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC000736678122 599192661 /nfs/dbraw/zinc/19/26/61/599192661.db2.gz SWIVNEKRNNWZFU-UHFFFAOYSA-N -2 3 367.822 1.617 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332346 598330943 /nfs/dbraw/zinc/33/09/43/598330943.db2.gz MHDRAVGNRBXZCB-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332346 598330945 /nfs/dbraw/zinc/33/09/45/598330945.db2.gz MHDRAVGNRBXZCB-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736336205 598415950 /nfs/dbraw/zinc/41/59/50/598415950.db2.gz ARBIQZYBZRPAJF-UHFFFAOYSA-N -2 3 357.823 1.761 20 0 FDADHL CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736336205 598415951 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CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735604485 599617225 /nfs/dbraw/zinc/61/72/25/599617225.db2.gz WKNNFBKFWJERPC-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736497770 599617819 /nfs/dbraw/zinc/61/78/19/599617819.db2.gz MLORMMPRJOJXHN-CYBMUJFWSA-N -2 3 367.431 1.126 20 0 FDADHL CCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736497770 599617821 /nfs/dbraw/zinc/61/78/21/599617821.db2.gz MLORMMPRJOJXHN-CYBMUJFWSA-N -2 3 367.431 1.126 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1=COCCC1 ZINC000823285346 599623305 /nfs/dbraw/zinc/62/33/05/599623305.db2.gz QQBKPMAHRCWYPD-UHFFFAOYSA-N -2 3 369.790 1.019 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1=COCCC1 ZINC000823285346 599623306 /nfs/dbraw/zinc/62/33/06/599623306.db2.gz QQBKPMAHRCWYPD-UHFFFAOYSA-N -2 3 369.790 1.019 20 0 FDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000737238511 599745251 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20 0 FDADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000737572562 599981892 /nfs/dbraw/zinc/98/18/92/599981892.db2.gz CPMARLZWPYBXLP-MRVPVSSYSA-N -2 3 373.280 1.139 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000738334561 599986748 /nfs/dbraw/zinc/98/67/48/599986748.db2.gz CHJXJTKPFRQJDL-AWEZNQCLSA-N -2 3 358.354 1.475 20 0 FDADHL O=C([O-])[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000739581636 600021817 /nfs/dbraw/zinc/02/18/17/600021817.db2.gz KBOAYZJXMYVINJ-NSHDSACASA-N -2 3 370.402 1.203 20 0 FDADHL O=C([O-])c1ccc(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000739256966 600115858 /nfs/dbraw/zinc/11/58/58/600115858.db2.gz UAIAZBUXYRELAK-UHFFFAOYSA-N -2 3 356.378 1.569 20 0 FDADHL Cc1[nH]c(C(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)c(C)c1C(=O)[O-] ZINC000738156368 600164582 /nfs/dbraw/zinc/16/45/82/600164582.db2.gz UJYZVVGGXLRRLS-UHFFFAOYSA-N -2 3 374.349 1.191 20 0 FDADHL O=C([O-])CCc1nc(COC(=O)c2cccc(Br)c2[O-])no1 ZINC000739769204 600193112 /nfs/dbraw/zinc/19/31/12/600193112.db2.gz NLGLLZSGZHUCEY-UHFFFAOYSA-N -2 3 371.143 1.912 20 0 FDADHL C[C@](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)(C(=O)[O-])C1CC1 ZINC000736639766 600200453 /nfs/dbraw/zinc/20/04/53/600200453.db2.gz WAISQFPKTOTIOU-GFCCVEGCSA-N -2 3 366.848 1.049 20 0 FDADHL Nc1nn2c([n-]1)nc(CSc1nc3ccc(C(=O)[O-])cc3o1)cc2=O ZINC000739207933 600278956 /nfs/dbraw/zinc/27/89/56/600278956.db2.gz CBFXRMKYPHVEAP-UHFFFAOYSA-N -2 3 358.339 1.132 20 0 FDADHL CCC(CC)(NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC000828829416 600924673 /nfs/dbraw/zinc/92/46/73/600924673.db2.gz SHTHESHBAMBKGH-UHFFFAOYSA-N -2 3 372.425 1.833 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)cc1C(=O)[O-] ZINC000833027360 601217107 /nfs/dbraw/zinc/21/71/07/601217107.db2.gz RFGXLOQTTITQIA-UHFFFAOYSA-N -2 3 361.379 1.950 20 0 FDADHL Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833011194 601238486 /nfs/dbraw/zinc/23/84/86/601238486.db2.gz VGHFMPZBTQQXSV-UHFFFAOYSA-N -2 3 373.381 1.927 20 0 FDADHL Cn1c(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc2ccc(F)cc21 ZINC000833038566 601268914 /nfs/dbraw/zinc/26/89/14/601268914.db2.gz KAHOKWOBAQWRQT-UHFFFAOYSA-N -2 3 367.358 1.525 20 0 FDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCOCC1 ZINC000833206489 601270798 /nfs/dbraw/zinc/27/07/98/601270798.db2.gz VVWJSFOAUHLOQX-UHFFFAOYSA-N -2 3 351.783 1.781 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000831388744 601597114 /nfs/dbraw/zinc/59/71/14/601597114.db2.gz BVPNVJPBSZAPAQ-AWEZNQCLSA-N -2 3 373.402 1.924 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1F ZINC000820641625 601623573 /nfs/dbraw/zinc/62/35/73/601623573.db2.gz VFJDYMBHCWVCKZ-UHFFFAOYSA-N -2 3 358.391 1.251 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(=O)[O-])ccc1F ZINC000767187582 601703934 /nfs/dbraw/zinc/70/39/34/601703934.db2.gz WQAJJXVVXKCWHG-UHFFFAOYSA-N -2 3 360.407 1.353 20 0 FDADHL O=C([O-])[C@@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000833091672 601759210 /nfs/dbraw/zinc/75/92/10/601759210.db2.gz CBKFCUVUSOPDBU-SJKOYZFVSA-N -2 3 350.346 1.022 20 0 FDADHL COc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000826195629 607527723 /nfs/dbraw/zinc/52/77/23/607527723.db2.gz AKFIRNSZVXHLAO-RYUDHWBXSA-N -2 3 357.370 1.159 20 0 FDADHL COc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000826195629 607527725 /nfs/dbraw/zinc/52/77/25/607527725.db2.gz AKFIRNSZVXHLAO-RYUDHWBXSA-N -2 3 357.370 1.159 20 0 FDADHL Cn1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1=O ZINC000733875744 601841739 /nfs/dbraw/zinc/84/17/39/601841739.db2.gz OBLPBKAYEIGRJT-UHFFFAOYSA-N -2 3 360.750 1.677 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1-c1nnn[n-]1 ZINC000826303863 607534677 /nfs/dbraw/zinc/53/46/77/607534677.db2.gz JPWQIMDNCOFNOG-UHFFFAOYSA-N -2 3 373.398 1.467 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1-c1nn[n-]n1 ZINC000826303863 607534679 /nfs/dbraw/zinc/53/46/79/607534679.db2.gz JPWQIMDNCOFNOG-UHFFFAOYSA-N -2 3 373.398 1.467 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C)cc1C(=O)[O-] ZINC000833026790 601968981 /nfs/dbraw/zinc/96/89/81/601968981.db2.gz KXKBZAKHLGQGLD-LBPRGKRZSA-N -2 3 361.416 1.931 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])s2)c(C)o1 ZINC000831034369 602012887 /nfs/dbraw/zinc/01/28/87/602012887.db2.gz YMLNXOWBQWZAIM-UHFFFAOYSA-N -2 3 359.381 1.613 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c(=O)[n-]1 ZINC000740218064 602017942 /nfs/dbraw/zinc/01/79/42/602017942.db2.gz OWEFYERBBJHZIM-BXUZGUMPSA-N -2 3 350.419 1.769 20 0 FDADHL COCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329825 602145700 /nfs/dbraw/zinc/14/57/00/602145700.db2.gz ZLHIWEYKHUEIIS-UHFFFAOYSA-N -2 3 356.194 1.445 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1[O-] ZINC000825890665 602201031 /nfs/dbraw/zinc/20/10/31/602201031.db2.gz RMKYLOQAJLUMFH-UHFFFAOYSA-N -3 3 356.381 1.911 20 0 FDADHL COc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1NC(=O)[O-] ZINC000739870532 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CCn1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)nc1C ZINC000323980126 676567224 /nfs/dbraw/zinc/56/72/24/676567224.db2.gz DQQAIZPBLWTNOC-SECBINFHSA-N -2 3 357.354 1.533 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)COC1 ZINC000366639427 677456321 /nfs/dbraw/zinc/45/63/21/677456321.db2.gz IOBQUHNKRAKTFQ-UHFFFAOYSA-N -2 3 370.608 1.234 20 0 FDADHL CCOc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc(Cl)c1[O-] ZINC000371989418 677823985 /nfs/dbraw/zinc/82/39/85/677823985.db2.gz ALJJOIWYFQFVSR-NSHDSACASA-N -2 3 353.766 1.171 20 0 FDADHL CCOc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc(Cl)c1[O-] ZINC000371989418 677823991 /nfs/dbraw/zinc/82/39/91/677823991.db2.gz ALJJOIWYFQFVSR-NSHDSACASA-N -2 3 353.766 1.171 20 0 FDADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)CC1 ZINC000414381794 679343887 /nfs/dbraw/zinc/34/38/87/679343887.db2.gz MZUCWUCKEBLKAW-UHFFFAOYSA-N -2 3 357.384 1.406 20 0 FDADHL CCc1nc(=NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s[n-]1 ZINC000440681164 682017433 /nfs/dbraw/zinc/01/74/33/682017433.db2.gz ZUEDTDQVJAZLHQ-UHFFFAOYSA-N -2 3 364.855 1.705 20 0 FDADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000471121948 685111298 /nfs/dbraw/zinc/11/12/98/685111298.db2.gz VILBAGZEOUKAJA-UHFFFAOYSA-N -2 3 368.317 1.658 20 0 FDADHL C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485861433 686787652 /nfs/dbraw/zinc/78/76/52/686787652.db2.gz WRPOIXYVWOLTFH-SECBINFHSA-N -2 3 369.374 1.548 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000489739009 687112652 /nfs/dbraw/zinc/11/26/52/687112652.db2.gz CSSQKMRBUAMQOJ-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cnc3ccccc3n2)s1 ZINC000515855136 689899444 /nfs/dbraw/zinc/89/94/44/689899444.db2.gz IUAKDJVVQYSRBL-UHFFFAOYSA-N -2 3 350.385 1.105 20 0 FDADHL Cc1nc([C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c2ccc(Cl)cc2)no1 ZINC000519547727 690220208 /nfs/dbraw/zinc/22/02/08/690220208.db2.gz ZWXUGQLWEMNWND-CYBMUJFWSA-N -2 3 373.818 1.905 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)cc1C(=O)[O-] ZINC000520805309 690357888 /nfs/dbraw/zinc/35/78/88/690357888.db2.gz WINYSEJYCBKSOM-ZDUSSCGKSA-N -2 3 353.396 1.731 20 0 FDADHL O=C([O-])c1ncccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656179806 774053074 /nfs/dbraw/zinc/05/30/74/774053074.db2.gz ADFGSGGFNYXDND-SCZZXKLOSA-N -2 3 368.333 1.558 20 0 FDADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000656181958 774077964 /nfs/dbraw/zinc/07/79/64/774077964.db2.gz KRPOFPBCLUVIHE-KBPBESRZSA-N -2 3 365.411 1.342 20 0 FDADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976565181 803533064 /nfs/dbraw/zinc/53/30/64/803533064.db2.gz AEHCVCNQGVCMMX-VXGBXAGGSA-N -2 3 371.397 1.062 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000663420928 806984592 /nfs/dbraw/zinc/98/45/92/806984592.db2.gz YTWZZJIYMYPAFO-UHFFFAOYSA-N -2 3 353.352 1.536 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)oc1C(=O)[O-] ZINC000663426300 806993714 /nfs/dbraw/zinc/99/37/14/806993714.db2.gz YSTZUVOHZBPHQF-UHFFFAOYSA-N -2 3 351.384 1.475 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCCc2c(C)nn(C)c2C)oc1C(=O)[O-] ZINC000663424673 806993949 /nfs/dbraw/zinc/99/39/49/806993949.db2.gz QOGPQRIHPUXCJW-UHFFFAOYSA-N -2 3 355.416 1.548 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(c3nnn[n-]3)CCCC2)n1 ZINC000434272912 815523489 /nfs/dbraw/zinc/52/34/89/815523489.db2.gz YPCFASYHPTZFKK-UHFFFAOYSA-N -2 3 371.376 1.738 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(c3nn[n-]n3)CCCC2)n1 ZINC000434272912 815523492 /nfs/dbraw/zinc/52/34/92/815523492.db2.gz YPCFASYHPTZFKK-UHFFFAOYSA-N -2 3 371.376 1.738 20 0 FDADHL CC(C)C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ncccc1[O-] ZINC000427670529 820753497 /nfs/dbraw/zinc/75/34/97/820753497.db2.gz FETDUMWANQFIBT-CYBMUJFWSA-N -2 3 372.425 1.805 20 0 FDADHL Cn1c2cc([O-])c(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2n(C)c1=O ZINC000428004681 820875215 /nfs/dbraw/zinc/87/52/15/820875215.db2.gz HSCRDXFXSRJNLF-UHFFFAOYSA-N -2 3 364.361 1.676 20 0 FDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000760099044 826438830 /nfs/dbraw/zinc/43/88/30/826438830.db2.gz BJLKWJRUORDUER-ZCFIWIBFSA-N -2 3 370.196 1.738 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c(C(=O)[O-])cc1C ZINC000478703045 844145600 /nfs/dbraw/zinc/14/56/00/844145600.db2.gz MHQJVVWOKHSKRP-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC000899500024 846336298 /nfs/dbraw/zinc/33/62/98/846336298.db2.gz YBTCQDFKDDGAGL-UHFFFAOYSA-N -2 3 366.780 1.951 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000906001338 852497853 /nfs/dbraw/zinc/49/78/53/852497853.db2.gz OYNYQPARUYNBDR-CPCISQLKSA-N -2 3 353.318 1.405 20 0 FDADHL CSC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000906004641 852504467 /nfs/dbraw/zinc/50/44/67/852504467.db2.gz HXLVGDNTDAOMMJ-MRVPVSSYSA-N -2 3 372.237 1.683 20 0 FDADHL CO[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@](C)(C(=O)[O-])C1 ZINC000910263063 857046061 /nfs/dbraw/zinc/04/60/61/857046061.db2.gz GGOFPLGRCRJQHG-RISCZKNCSA-N -2 3 358.188 1.859 20 0 FDADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1ncccn1 ZINC000743315434 926319634 /nfs/dbraw/zinc/31/96/34/926319634.db2.gz VTSSQCJWIGZFBV-UHFFFAOYSA-N -2 3 362.396 1.381 20 0 FDADHL COc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000767701438 929566030 /nfs/dbraw/zinc/56/60/30/929566030.db2.gz YCSLNRVWRJLGQC-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL C[C@](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)(C(=O)[O-])c1ccccc1 ZINC000788317390 932663467 /nfs/dbraw/zinc/66/34/67/932663467.db2.gz DWDWYVQUYORXBL-GOSISDBHSA-N -2 3 353.334 1.692 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747394950 940336052 /nfs/dbraw/zinc/33/60/52/940336052.db2.gz BQYKTMRHRXDTFM-UHFFFAOYSA-N -2 3 370.413 1.909 20 0 FDADHL CCc1ccc([O-])c(C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)c1 ZINC000807384224 940341299 /nfs/dbraw/zinc/34/12/99/940341299.db2.gz BHWLVYADCUZHSN-UHFFFAOYSA-N -2 3 350.396 1.821 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCC(F)CC2)c(F)cc1F ZINC001195260287 970800356 /nfs/dbraw/zinc/80/03/56/970800356.db2.gz UUPRHHQCATXPBP-UHFFFAOYSA-N -2 3 366.361 1.375 20 0 FDADHL CCOc1nccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195263893 970801533 /nfs/dbraw/zinc/80/15/33/970801533.db2.gz NJBWVTJZSODTTP-UHFFFAOYSA-N -2 3 373.337 1.330 20 0 FDADHL CCCCCOC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195268762 970803883 /nfs/dbraw/zinc/80/38/83/970803883.db2.gz OXZUVVPESJOJQR-UHFFFAOYSA-N -2 3 365.354 1.675 20 0 FDADHL CON(CCCNC(=O)c1ncc(C)cc1[O-])C(=O)c1ncc(C)cc1[O-] ZINC000856015152 970848971 /nfs/dbraw/zinc/84/89/71/970848971.db2.gz RHKBNHUCHQKWHQ-UHFFFAOYSA-N -2 3 374.397 1.328 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1F ZINC000817872524 943055119 /nfs/dbraw/zinc/05/51/19/943055119.db2.gz IFHUVJQAOUQXQP-GXSJLCMTSA-N -2 3 358.391 1.059 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000819088671 943414651 /nfs/dbraw/zinc/41/46/51/943414651.db2.gz HNTWMELWMGMXGE-NOZJJQNGSA-N -2 3 361.391 1.636 20 0 FDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(Cl)cc(F)c1Br ZINC000820287845 943998155 /nfs/dbraw/zinc/99/81/55/943998155.db2.gz DUDGHZYPKLDBJD-UHFFFAOYSA-N -2 3 351.519 1.628 20 0 FDADHL COc1cc(/C=C/C(=O)NCCCCP(=O)([O-])[O-])cc(OC)c1OC ZINC001143779683 947768110 /nfs/dbraw/zinc/76/81/10/947768110.db2.gz HEISKJMAQPZMHH-VOTSOKGWSA-N -2 3 373.342 1.800 20 0 FDADHL CC[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844894131 948480869 /nfs/dbraw/zinc/48/08/69/948480869.db2.gz OKTUSRWAXQRKJP-FQEVSTJZSA-N -2 3 374.267 1.739 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)n[n-]1 ZINC001591279010 951111209 /nfs/dbraw/zinc/11/12/09/951111209.db2.gz FGNAUJDHBQFUCZ-UHFFFAOYSA-N -2 3 364.402 1.332 20 0 FDADHL O=C(Nc1ccc(Br)c(-c2nnn[n-]2)c1)c1ncccc1[O-] ZINC001571000374 951113314 /nfs/dbraw/zinc/11/33/14/951113314.db2.gz OVSBHPAPBMQOTP-UHFFFAOYSA-N -2 3 361.159 1.982 20 0 FDADHL O=C(Nc1ccc(Br)c(-c2nn[n-]n2)c1)c1ncccc1[O-] ZINC001571000374 951113322 /nfs/dbraw/zinc/11/33/22/951113322.db2.gz OVSBHPAPBMQOTP-UHFFFAOYSA-N -2 3 361.159 1.982 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)n[n-]1 ZINC001591279323 951116033 /nfs/dbraw/zinc/11/60/33/951116033.db2.gz LDPUFRVYDNFRIP-UHFFFAOYSA-N -2 3 362.386 1.108 20 0 FDADHL CCOC(=O)c1nnc(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)[n-]1 ZINC001591279323 951116044 /nfs/dbraw/zinc/11/60/44/951116044.db2.gz LDPUFRVYDNFRIP-UHFFFAOYSA-N -2 3 362.386 1.108 20 0 FDADHL COc1ccc2c(n1)N(C)CCN2C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001571028349 951511963 /nfs/dbraw/zinc/51/19/63/951511963.db2.gz XNAFJMZGNPCNLR-UHFFFAOYSA-N -2 3 367.369 1.073 20 0 FDADHL O=C([O-])CCc1cccc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001595066359 951550566 /nfs/dbraw/zinc/55/05/66/951550566.db2.gz JLMKLECSLZANER-AWEZNQCLSA-N -2 3 371.397 1.600 20 0 FDADHL O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001595136434 952056326 /nfs/dbraw/zinc/05/63/26/952056326.db2.gz SBDYPLSOZOBTPA-GFCCVEGCSA-N -2 3 357.370 1.210 20 0 FDADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCc1cscn1 ZINC001594894955 954558002 /nfs/dbraw/zinc/55/80/02/954558002.db2.gz CFPXRGMHEHNPTA-ZJUUUORDSA-N -2 3 351.350 1.282 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001594510133 955377897 /nfs/dbraw/zinc/37/78/97/955377897.db2.gz CULUAZPFMWHJTG-JTQLQIEISA-N -2 3 359.338 1.488 20 0 FDADHL COC(=O)c1cc(NC(=O)C2(C(=O)[O-])CCOCC2)c([O-])c(OC)c1 ZINC001593871959 955646448 /nfs/dbraw/zinc/64/64/48/955646448.db2.gz JPYKICBGFWLIMY-UHFFFAOYSA-N -2 3 353.327 1.007 20 0 FDADHL C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589094653 955975719 /nfs/dbraw/zinc/97/57/19/955975719.db2.gz YMIBYUQKQJISGV-KXKUKXMYSA-N -2 3 373.365 1.871 20 0 FDADHL Cn1nccc1[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC001594589347 956036004 /nfs/dbraw/zinc/03/60/04/956036004.db2.gz JLTBVBLCQLUHBY-LLVKDONJSA-N -2 3 354.160 1.444 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCSC1 ZINC000043511369 957434546 /nfs/dbraw/zinc/43/45/46/957434546.db2.gz WEYSSSIBQQQIAX-SECBINFHSA-N -2 3 372.287 1.749 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC001594059508 958084274 /nfs/dbraw/zinc/08/42/74/958084274.db2.gz VCOSZRDEWYBUEJ-ZDUSSCGKSA-N -2 3 371.361 1.948 20 0 FDADHL C[C@@H](C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001588572525 959190190 /nfs/dbraw/zinc/19/01/90/959190190.db2.gz IFIQDBITMKVLQX-SSDOTTSWSA-N -2 3 369.226 1.109 20 0 FDADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC1=O ZINC001259222460 960687535 /nfs/dbraw/zinc/68/75/35/960687535.db2.gz UDNPVFILLZACBH-ZETCQYMHSA-N -2 3 364.782 1.076 20 0 FDADHL COc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc(OC)c1[O-] ZINC001574177145 962794536 /nfs/dbraw/zinc/79/45/36/962794536.db2.gz LVDFGBBFVZGGGC-UHFFFAOYSA-N -2 3 353.371 1.505 20 0 FDADHL O=S(=O)([N-]c1ccnc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567676 963980639 /nfs/dbraw/zinc/98/06/39/963980639.db2.gz BJBHEAKWSTVKER-UHFFFAOYSA-N -2 3 368.325 1.664 20 0 FDADHL Cc1cccc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)n21 ZINC001185568334 963982222 /nfs/dbraw/zinc/98/22/22/963982222.db2.gz QTONRGKHXYBSIB-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL Cc1cccc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)n21 ZINC001185568334 963982225 /nfs/dbraw/zinc/98/22/25/963982225.db2.gz QTONRGKHXYBSIB-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL COc1cccc(OC)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597734 963996612 /nfs/dbraw/zinc/99/66/12/963996612.db2.gz QVVVIWXFFOHBQZ-UHFFFAOYSA-N -2 3 361.383 1.685 20 0 FDADHL COc1cccc(OC)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597734 963996616 /nfs/dbraw/zinc/99/66/16/963996616.db2.gz QVVVIWXFFOHBQZ-UHFFFAOYSA-N -2 3 361.383 1.685 20 0 FDADHL O=C1OCc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c21 ZINC001185610004 964003722 /nfs/dbraw/zinc/00/37/22/964003722.db2.gz ROGVJBCPULKQJA-UHFFFAOYSA-N -2 3 357.351 1.338 20 0 FDADHL O=C1OCc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c21 ZINC001185610004 964003732 /nfs/dbraw/zinc/00/37/32/964003732.db2.gz ROGVJBCPULKQJA-UHFFFAOYSA-N -2 3 357.351 1.338 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)cc1[O-] ZINC001186271808 964393091 /nfs/dbraw/zinc/39/30/91/964393091.db2.gz YOWMKDWIAWEMDC-UHFFFAOYSA-N -2 3 350.381 1.297 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1F ZINC000776612334 967468028 /nfs/dbraw/zinc/46/80/28/967468028.db2.gz HHCFUIAMZRIDTN-HTQZYQBOSA-N -2 3 361.322 1.059 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)CC(=O)[O-] ZINC000776628274 967697076 /nfs/dbraw/zinc/69/70/76/967697076.db2.gz PNKWSOQPAWZYIR-MRVPVSSYSA-N -2 3 364.807 1.301 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)ccc1F ZINC000852956450 967730726 /nfs/dbraw/zinc/73/07/26/967730726.db2.gz LDPCIPGSZKXICY-UHFFFAOYSA-N -2 3 360.407 1.307 20 0 FDADHL Cc1cc(Br)cc(S(=O)(=O)NCCP(=O)([O-])[O-])c1 ZINC001191309618 968421001 /nfs/dbraw/zinc/42/10/01/968421001.db2.gz OQYDRRDTBQSSRQ-UHFFFAOYSA-N -2 3 358.150 1.214 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCOC1 ZINC000644629222 1013867218 /nfs/dbraw/zinc/86/72/18/1013867218.db2.gz JLDCGVDDKAUMHH-LLVKDONJSA-N -2 3 373.280 1.246 20 0 FDADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000863416030 972891782 /nfs/dbraw/zinc/89/17/82/972891782.db2.gz AXZYJAZITZCOOT-LBPRGKRZSA-N -2 3 370.452 1.967 20 0 FDADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000398137603 973074170 /nfs/dbraw/zinc/07/41/70/973074170.db2.gz NCNBIFBVWZHRIL-RQJHMYQMSA-N -2 3 368.205 1.586 20 0 FDADHL Cn1c2cc([O-])c(NC(=O)C3(C(=O)[O-])CCSCC3)cc2n(C)c1=O ZINC001605467439 973576112 /nfs/dbraw/zinc/57/61/12/973576112.db2.gz NJHSJJXFPVMFHD-UHFFFAOYSA-N -2 3 365.411 1.119 20 0 FDADHL COC[C@]1(C(=O)[O-])CN(Cc2cccc([O-])c2Br)CCO1 ZINC001604565371 973631137 /nfs/dbraw/zinc/63/11/37/973631137.db2.gz UFELUXIIXNWMIS-AWEZNQCLSA-N -2 3 360.204 1.457 20 0 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C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001588661944 983788073 /nfs/dbraw/zinc/78/80/73/983788073.db2.gz ULRXWNYPLPRPGB-GFCCVEGCSA-N -2 3 361.398 1.138 20 0 FDADHL COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C2 ZINC000645963764 1014978717 /nfs/dbraw/zinc/97/87/17/1014978717.db2.gz PTOUKYNKAATTAZ-VIFPVBQESA-N -2 3 370.408 1.132 20 0 FDADHL O=C([O-])[C@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC=CCC1 ZINC000653300203 1015011954 /nfs/dbraw/zinc/01/19/54/1015011954.db2.gz OWOCSYQAMOWPAQ-LJQANCHMSA-N -2 3 358.394 1.488 20 0 FDADHL CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001596516626 984299185 /nfs/dbraw/zinc/29/91/85/984299185.db2.gz PEKMBCBHIOUWHA-UHFFFAOYSA-N -2 3 364.358 1.516 20 0 FDADHL CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001596516626 984299190 /nfs/dbraw/zinc/29/91/90/984299190.db2.gz PEKMBCBHIOUWHA-UHFFFAOYSA-N -2 3 364.358 1.516 20 0 FDADHL CCOC(=O)C1([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)CCCCC1 ZINC001596560533 984437202 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ZINC001590879892 990796145 /nfs/dbraw/zinc/79/61/45/990796145.db2.gz USERYBLJWYRKKN-SECBINFHSA-N -2 3 359.297 1.347 20 0 FDADHL COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001599684762 990969452 /nfs/dbraw/zinc/96/94/52/990969452.db2.gz IXYQNMCELCFECT-JQWIXIFHSA-N -2 3 368.436 1.932 20 0 FDADHL COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599701989 991234015 /nfs/dbraw/zinc/23/40/15/991234015.db2.gz INTHCJWQGTYGTN-BLLLJJGKSA-N -2 3 365.411 1.433 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC001599760579 992116006 /nfs/dbraw/zinc/11/60/06/992116006.db2.gz ZHFYNKYPTCYIFC-MWLCHTKSSA-N -2 3 359.375 1.997 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001599762332 992139041 /nfs/dbraw/zinc/13/90/41/992139041.db2.gz LSUIPMKESBACHX-WDEREUQCSA-N -2 3 356.400 1.267 20 0 FDADHL COc1cccc(C2(C[N-]S(=O)(=O)c3scnc3C(=O)[O-])CC2)c1 ZINC001599663547 994692177 /nfs/dbraw/zinc/69/21/77/994692177.db2.gz 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CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599327732 997694553 /nfs/dbraw/zinc/69/45/53/997694553.db2.gz VSQGKPIPYVGYIR-PWSUYJOCSA-N -2 3 354.409 1.432 20 0 FDADHL COc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)ccc1C(=O)[O-] ZINC001599429866 997740343 /nfs/dbraw/zinc/74/03/43/997740343.db2.gz RXCIZEIQSSRIFM-UHFFFAOYSA-N -2 3 362.313 1.493 20 0 FDADHL COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc(OC)c1[O-] ZINC001599354688 998159173 /nfs/dbraw/zinc/15/91/73/998159173.db2.gz OMMUMFFYFODRMM-ZDUSSCGKSA-N -2 3 363.341 1.974 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1sc(Br)cc1C)C(=O)[O-] ZINC001599156283 998377593 /nfs/dbraw/zinc/37/75/93/998377593.db2.gz FEYZWMULHQDUPP-JTQLQIEISA-N -2 3 372.262 1.587 20 0 FDADHL COc1cc(C(=O)[O-])ccc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001599374494 998465155 /nfs/dbraw/zinc/46/51/55/998465155.db2.gz QNTKGIJKWDIXMN-UHFFFAOYSA-N -2 3 350.356 1.499 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCCC1 ZINC001598982372 998669405 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ZINC000736463423 598909090 /nfs/dbraw/zinc/90/90/90/598909090.db2.gz PIYHNXYFZDZJQD-UHFFFAOYSA-N -2 3 369.472 1.595 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000737297542 598974538 /nfs/dbraw/zinc/97/45/38/598974538.db2.gz BDIDPVSCJRZJDH-UHFFFAOYSA-N -2 3 361.427 1.871 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000737297542 598974541 /nfs/dbraw/zinc/97/45/41/598974541.db2.gz BDIDPVSCJRZJDH-UHFFFAOYSA-N -2 3 361.427 1.871 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC000735974238 599218747 /nfs/dbraw/zinc/21/87/47/599218747.db2.gz GCRODSISEOOGRJ-GFCCVEGCSA-N -2 3 374.426 1.266 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC000735974238 599218749 /nfs/dbraw/zinc/21/87/49/599218749.db2.gz GCRODSISEOOGRJ-GFCCVEGCSA-N -2 3 374.426 1.266 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737392115 598373325 /nfs/dbraw/zinc/37/33/25/598373325.db2.gz OLNRFDWLKDVSJB-UHFFFAOYSA-N -2 3 371.422 1.364 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737392115 598373326 /nfs/dbraw/zinc/37/33/26/598373326.db2.gz OLNRFDWLKDVSJB-UHFFFAOYSA-N -2 3 371.422 1.364 20 0 FDADHL Cc1ccccc1S([O-])=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737432204 598492711 /nfs/dbraw/zinc/49/27/11/598492711.db2.gz RRZUNTVBWALSST-RUZDIDTESA-N -2 3 355.423 1.599 20 0 FDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736957673 598512449 /nfs/dbraw/zinc/51/24/49/598512449.db2.gz WNTWKXRTARNKQB-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736957673 598512450 /nfs/dbraw/zinc/51/24/50/598512450.db2.gz WNTWKXRTARNKQB-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000736957078 598637696 /nfs/dbraw/zinc/63/76/96/598637696.db2.gz KAGYWAFFJVFZME-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cc(=O)[nH][n-]1 ZINC000738301622 598722672 /nfs/dbraw/zinc/72/26/72/598722672.db2.gz PRMRMRNQPFVBDG-UHFFFAOYSA-N -2 3 363.337 1.473 20 0 FDADHL O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cc(=O)[nH][n-]1 ZINC000738301622 598722673 /nfs/dbraw/zinc/72/26/73/598722673.db2.gz PRMRMRNQPFVBDG-UHFFFAOYSA-N -2 3 363.337 1.473 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ccc1C(N)=O ZINC000737281780 598749944 /nfs/dbraw/zinc/74/99/44/598749944.db2.gz ZKEAXEXKUGJOBI-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1C(N)=O ZINC000737281780 598749945 /nfs/dbraw/zinc/74/99/45/598749945.db2.gz ZKEAXEXKUGJOBI-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736181797 598801337 /nfs/dbraw/zinc/80/13/37/598801337.db2.gz AUKMIDTTXKNXJS-JTQLQIEISA-N -2 3 367.431 1.126 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736181797 598801338 /nfs/dbraw/zinc/80/13/38/598801338.db2.gz AUKMIDTTXKNXJS-JTQLQIEISA-N -2 3 367.431 1.126 20 0 FDADHL C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323047 599298983 /nfs/dbraw/zinc/29/89/83/599298983.db2.gz WQXLVPXOIJXNIA-HWPZZCPQSA-N -2 3 361.427 1.642 20 0 FDADHL C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323047 599298986 /nfs/dbraw/zinc/29/89/86/599298986.db2.gz WQXLVPXOIJXNIA-HWPZZCPQSA-N -2 3 361.427 1.642 20 0 FDADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000821127143 599303438 /nfs/dbraw/zinc/30/34/38/599303438.db2.gz BVAUWBHVVQNITD-UHFFFAOYSA-N -2 3 362.419 1.223 20 0 FDADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000736489436 599313466 /nfs/dbraw/zinc/31/34/66/599313466.db2.gz ZTIRNVDOWNMURI-UHFFFAOYSA-N -2 3 362.419 1.223 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1OC ZINC000737226208 599736560 /nfs/dbraw/zinc/73/65/60/599736560.db2.gz DZLSOEBLPFDYBC-UHFFFAOYSA-N -2 3 359.404 1.442 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3)c2)o1 ZINC000740177602 599737729 /nfs/dbraw/zinc/73/77/29/599737729.db2.gz LIYIYUVOOZAHFR-UHFFFAOYSA-N -2 3 374.374 1.989 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccco3)CC2)o1 ZINC000740175664 599769283 /nfs/dbraw/zinc/76/92/83/599769283.db2.gz SADZRRVQJBCGOT-UHFFFAOYSA-N -2 3 368.367 1.154 20 0 FDADHL CCN(CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000737105334 599779044 /nfs/dbraw/zinc/77/90/44/599779044.db2.gz YSKFIUYTJHVVMQ-UHFFFAOYSA-N -2 3 362.404 1.513 20 0 FDADHL Cc1nc(C)c(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(=O)[n-]1 ZINC000738844142 599944881 /nfs/dbraw/zinc/94/48/81/599944881.db2.gz KCMOBCPEUWQMBM-ZDUSSCGKSA-N -2 3 361.373 1.540 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1 ZINC000518389040 600236981 /nfs/dbraw/zinc/23/69/81/600236981.db2.gz DPJBMWDLYYITIK-UHFFFAOYSA-N -2 3 367.379 1.322 20 0 FDADHL O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000740056751 600312345 /nfs/dbraw/zinc/31/23/45/600312345.db2.gz KNRSWSCIMHNCTM-SCZZXKLOSA-N -2 3 361.379 1.677 20 0 FDADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583170 607442369 /nfs/dbraw/zinc/44/23/69/607442369.db2.gz JZYRAZBCNIKCRQ-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583170 607442370 /nfs/dbraw/zinc/44/23/70/607442370.db2.gz JZYRAZBCNIKCRQ-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL CC(C)OC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736485592 600543664 /nfs/dbraw/zinc/54/36/64/600543664.db2.gz YLUVVWOILAAVNX-UHFFFAOYSA-N -2 3 360.388 1.266 20 0 FDADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000736465741 600558315 /nfs/dbraw/zinc/55/83/15/600558315.db2.gz NRJUHHOJTZZKPM-UHFFFAOYSA-N -2 3 372.418 1.592 20 0 FDADHL C[C@H](CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000736574697 600594518 /nfs/dbraw/zinc/59/45/18/600594518.db2.gz FTSRZAXMENJAAG-SNVBAGLBSA-N -2 3 374.434 1.695 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000737732250 600652319 /nfs/dbraw/zinc/65/23/19/600652319.db2.gz BTQYIUSOKJEARX-SECBINFHSA-N -2 3 361.725 1.894 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000833086641 600831735 /nfs/dbraw/zinc/83/17/35/600831735.db2.gz POFPMPOQKJKWHV-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]N=c1nc(C)cc(C)[nH]1 ZINC000831939847 601150020 /nfs/dbraw/zinc/15/00/20/601150020.db2.gz VFWWOYMUVFOYFU-UHFFFAOYSA-N -2 3 358.401 1.167 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000831939847 601150022 /nfs/dbraw/zinc/15/00/22/601150022.db2.gz VFWWOYMUVFOYFU-UHFFFAOYSA-N -2 3 358.401 1.167 20 0 FDADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000828700909 601214764 /nfs/dbraw/zinc/21/47/64/601214764.db2.gz UIKKOHDJJAXAFA-LBPRGKRZSA-N -2 3 351.402 1.075 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)cc1C(=O)[O-] ZINC000833029224 601219814 /nfs/dbraw/zinc/21/98/14/601219814.db2.gz ZZSKRLJPJHIJIU-MRVPVSSYSA-N -2 3 356.322 1.201 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c1F ZINC000833294777 601229367 /nfs/dbraw/zinc/22/93/67/601229367.db2.gz WREAZWNXZBMBII-UHFFFAOYSA-N -2 3 367.333 1.789 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)o1 ZINC000262403714 601278536 /nfs/dbraw/zinc/27/85/36/601278536.db2.gz OLYOKEMIRTXPTE-UHTWSYAYSA-N -2 3 370.427 1.354 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000831034193 601358153 /nfs/dbraw/zinc/35/81/53/601358153.db2.gz NHJKHBHYEAIZFO-QMMMGPOBSA-N -2 3 357.340 1.705 20 0 FDADHL O=C([O-])CCN(Cc1ccncc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000833234580 601562588 /nfs/dbraw/zinc/56/25/88/601562588.db2.gz LMMOFLLCUJQFGG-UHFFFAOYSA-N -2 3 357.366 1.021 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)cc1C(=O)[O-] ZINC000833029012 601569302 /nfs/dbraw/zinc/56/93/02/601569302.db2.gz WVHXBXZANYESNG-MRVPVSSYSA-N -2 3 350.356 1.368 20 0 FDADHL COC(=O)c1sc2[n-]c(CN(CC(=O)[O-])C3CC3)nc(=O)c2c1C ZINC000831479882 601580138 /nfs/dbraw/zinc/58/01/38/601580138.db2.gz WXRLXZPDRUGBQL-UHFFFAOYSA-N -2 3 351.384 1.129 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1(N2CCOCC2)CCCC1 ZINC000827753339 601584874 /nfs/dbraw/zinc/58/48/74/601584874.db2.gz BSDAURJYMSHRRH-LBPRGKRZSA-N -2 3 372.443 1.290 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832993321 601759077 /nfs/dbraw/zinc/75/90/77/601759077.db2.gz SANQZRNYLDJTLR-ABAIWWIYSA-N -2 3 370.409 1.252 20 0 FDADHL Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC000833023359 601836382 /nfs/dbraw/zinc/83/63/82/601836382.db2.gz ZLFZSASMLSEGFJ-UHFFFAOYSA-N -2 3 355.372 1.674 20 0 FDADHL O=C([O-])N(CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C1CC1 ZINC000740436608 602065528 /nfs/dbraw/zinc/06/55/28/602065528.db2.gz MCFVXBXKCBFZBH-CQSZACIVSA-N -2 3 361.398 1.255 20 0 FDADHL CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000312043853 602152180 /nfs/dbraw/zinc/15/21/80/602152180.db2.gz SZPNNCFRDUFYCP-LURJTMIESA-N -2 3 356.194 1.444 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)s1 ZINC000833323629 602205686 /nfs/dbraw/zinc/20/56/86/602205686.db2.gz UXRGZLMFUONZGM-UHFFFAOYSA-N -2 3 356.410 1.756 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000740208552 602526353 /nfs/dbraw/zinc/52/63/53/602526353.db2.gz RGOPWFZNEFGWIF-NSHDSACASA-N -2 3 373.413 1.187 20 0 FDADHL CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000739226870 602566394 /nfs/dbraw/zinc/56/63/94/602566394.db2.gz CJYFIMJVBGZDEL-SWLSCSKDSA-N -2 3 363.414 1.359 20 0 FDADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCc1cccnc1 ZINC000824206425 607593155 /nfs/dbraw/zinc/59/31/55/607593155.db2.gz DLBCTEXKCJADNO-INIZCTEOSA-N -2 3 368.397 1.913 20 0 FDADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCc1cccnc1 ZINC000824206425 607593156 /nfs/dbraw/zinc/59/31/56/607593156.db2.gz DLBCTEXKCJADNO-INIZCTEOSA-N -2 3 368.397 1.913 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c(C)o1 ZINC000828580135 603550821 /nfs/dbraw/zinc/55/08/21/603550821.db2.gz VUCPMNGJHMZRAY-UHFFFAOYSA-N -2 3 368.367 1.830 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825992288 607689926 /nfs/dbraw/zinc/68/99/26/607689926.db2.gz SZXHXEHUFQNZIT-UHFFFAOYSA-N -2 3 356.371 1.177 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825992288 607689928 /nfs/dbraw/zinc/68/99/28/607689928.db2.gz SZXHXEHUFQNZIT-UHFFFAOYSA-N -2 3 356.371 1.177 20 0 FDADHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000826127478 604883233 /nfs/dbraw/zinc/88/32/33/604883233.db2.gz UIWPFLYAXUUNOC-BXKDBHETSA-N -2 3 355.366 1.834 20 0 FDADHL CC(C)(C)OC(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000833432067 605002749 /nfs/dbraw/zinc/00/27/49/605002749.db2.gz CEXWBRSDQNLTHO-UHFFFAOYSA-N -2 3 360.388 1.123 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000764917038 605012628 /nfs/dbraw/zinc/01/26/28/605012628.db2.gz JFESOXMYTNNSMO-MRVPVSSYSA-N -2 3 351.327 1.283 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C[C@H](C)O ZINC000397812629 605038344 /nfs/dbraw/zinc/03/83/44/605038344.db2.gz DJUDMIWOPDIBDP-RQJHMYQMSA-N -2 3 370.221 1.426 20 0 FDADHL CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833648150 605177276 /nfs/dbraw/zinc/17/72/76/605177276.db2.gz HBBWZDYTNIJMMD-NEPJUHHUSA-N -2 3 372.443 1.539 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833437790 605202171 /nfs/dbraw/zinc/20/21/71/605202171.db2.gz VZYLRBMBLCRLBK-JTQLQIEISA-N -2 3 360.388 1.266 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)c([O-])c1 ZINC000830217582 605364492 /nfs/dbraw/zinc/36/44/92/605364492.db2.gz ZZMYXXOOMMUTJU-CHWSQXEVSA-N -2 3 363.414 1.468 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823759698 605401668 /nfs/dbraw/zinc/40/16/68/605401668.db2.gz JOXKDEZYIMALBD-AYLPWXGPSA-N -2 3 362.448 1.167 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000833437134 605420323 /nfs/dbraw/zinc/42/03/23/605420323.db2.gz QEGIJITXCOXMAW-JTQLQIEISA-N -2 3 374.415 1.513 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000833437135 605420432 /nfs/dbraw/zinc/42/04/32/605420432.db2.gz QEGIJITXCOXMAW-SNVBAGLBSA-N -2 3 374.415 1.513 20 0 FDADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000834069460 605727947 /nfs/dbraw/zinc/72/79/47/605727947.db2.gz ZKIREAIGRHLYDQ-UHFFFAOYSA-N -2 3 367.196 1.476 20 0 FDADHL C[C@H](C(=O)Nc1n[n-]c(SCCO)n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833788597 605951052 /nfs/dbraw/zinc/95/10/52/605951052.db2.gz BEOBEKUESBOGNA-ONGXEEELSA-N -2 3 365.415 1.473 20 0 FDADHL COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cc(OC)c1[O-] 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CC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000570660220 549363665 /nfs/dbraw/zinc/36/36/65/549363665.db2.gz JOUZLWATDAJYOZ-LLVKDONJSA-N -2 3 359.379 1.251 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@@H](C)C(=O)[O-] ZINC000570922172 549460401 /nfs/dbraw/zinc/46/04/01/549460401.db2.gz SRXDRDCDHLQOGL-RNFRBKRXSA-N -2 3 354.197 1.976 20 0 FDADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)C2CC2)n1 ZINC000570926411 549463439 /nfs/dbraw/zinc/46/34/39/549463439.db2.gz YJZVPLSXFVSNBG-LBPRGKRZSA-N -2 3 356.429 1.162 20 0 FDADHL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)C2 ZINC000571209332 549565962 /nfs/dbraw/zinc/56/59/62/549565962.db2.gz RPEZDPRHZJOCKN-XHDPSFHLSA-N -2 3 372.468 1.130 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000571281076 549590584 /nfs/dbraw/zinc/59/05/84/549590584.db2.gz BOOXZDZHTDRQDY-SNVBAGLBSA-N -2 3 369.420 1.737 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000572282389 549882470 /nfs/dbraw/zinc/88/24/70/549882470.db2.gz QBULRXDHYBZPPD-ZETCQYMHSA-N -2 3 357.762 1.983 20 0 FDADHL C[C@H]1C[C@@H](S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)CCO1 ZINC000572770054 549990992 /nfs/dbraw/zinc/99/09/92/549990992.db2.gz FWMUGBIJEZFNDL-FZMZJTMJSA-N -2 3 370.427 1.200 20 0 FDADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@](COC)(C(=O)[O-])C3)nc2)n1 ZINC000572884545 550018195 /nfs/dbraw/zinc/01/81/95/550018195.db2.gz KIORNKWMWKGERK-GOSISDBHSA-N -2 3 358.398 1.734 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000573364513 550121380 /nfs/dbraw/zinc/12/13/80/550121380.db2.gz LTVBGEOMCVDHGD-ZDUSSCGKSA-N -2 3 369.420 1.796 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)c1 ZINC000573377777 550124086 /nfs/dbraw/zinc/12/40/86/550124086.db2.gz VWAHJNGYRQQVHH-GHMZBOCLSA-N -2 3 361.391 1.305 20 0 FDADHL C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@@]1(C)C(=O)[O-] ZINC000574328475 550296679 /nfs/dbraw/zinc/29/66/79/550296679.db2.gz RILJXZBTHSJZJV-RFAUZJTJSA-N -2 3 358.391 1.380 20 0 FDADHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000574523691 550328676 /nfs/dbraw/zinc/32/86/76/550328676.db2.gz VICMPHKEMZDIFI-UHFFFAOYSA-N -2 3 356.375 1.958 20 0 FDADHL CC(C)(CC(=O)NC(C)(C)CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000576623503 550569039 /nfs/dbraw/zinc/56/90/39/550569039.db2.gz KNCMWDAPWSZVBR-UHFFFAOYSA-N -2 3 362.473 1.565 20 0 FDADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000577369446 550648906 /nfs/dbraw/zinc/64/89/06/550648906.db2.gz CWUBCGHLYNTTBP-UHFFFAOYSA-N -2 3 359.429 1.229 20 0 FDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000577593460 550673092 /nfs/dbraw/zinc/67/30/92/550673092.db2.gz PDGWQYLXSITCLU-SNVBAGLBSA-N -2 3 363.848 1.856 20 0 FDADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccco1 ZINC000577950611 550712192 /nfs/dbraw/zinc/71/21/92/550712192.db2.gz RJGUCNMBLIFCDN-ZDUSSCGKSA-N -2 3 356.400 1.998 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1F ZINC000579076753 550832053 /nfs/dbraw/zinc/83/20/53/550832053.db2.gz XJLZPLGOJJICRE-IUODEOHRSA-N -2 3 359.375 1.534 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000579350040 550863943 /nfs/dbraw/zinc/86/39/43/550863943.db2.gz XVPNMMVNKFSJLI-UHFFFAOYSA-N -2 3 371.436 1.985 20 0 FDADHL C[C@@]1(c2cccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000580325863 550967575 /nfs/dbraw/zinc/96/75/75/550967575.db2.gz AHEWPJIGGMTOLT-VOJFVSQTSA-N -2 3 359.382 1.068 20 0 FDADHL CC[C@H](C)C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000580953842 551036640 /nfs/dbraw/zinc/03/66/40/551036640.db2.gz DZJIGJQIMYHKBJ-TVQRCGJNSA-N -2 3 360.407 1.816 20 0 FDADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000581876734 551144115 /nfs/dbraw/zinc/14/41/15/551144115.db2.gz RISNPZLUVWECDD-UHFFFAOYSA-N -2 3 353.338 1.251 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3c(F)cccc3F)C2)o1 ZINC000582782573 551266537 /nfs/dbraw/zinc/26/65/37/551266537.db2.gz BVJDPUTYVMUQMQ-VIFPVBQESA-N -2 3 372.349 1.813 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000582829762 551271162 /nfs/dbraw/zinc/27/11/62/551271162.db2.gz CYEFWOQYIBVKEC-SSDLBLMSSA-N -2 3 372.624 1.215 20 0 FDADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOC1 ZINC000582840787 551272677 /nfs/dbraw/zinc/27/26/77/551272677.db2.gz LRPXMVKJVOWKQD-NSHDSACASA-N -2 3 354.306 1.013 20 0 FDADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000583564880 551370371 /nfs/dbraw/zinc/37/03/71/551370371.db2.gz ILSKSBSVAHERDO-LBPRGKRZSA-N -2 3 361.391 1.780 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000584219380 551465256 /nfs/dbraw/zinc/46/52/56/551465256.db2.gz UAPJNSYWAVDGRS-ZETCQYMHSA-N -2 3 354.197 1.896 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@@H](CC)C(=O)[O-])c1 ZINC000584276488 551473273 /nfs/dbraw/zinc/47/32/73/551473273.db2.gz SDUPCAVSDQQUFU-SNVBAGLBSA-N -2 3 361.391 1.782 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)CCCC2)no1 ZINC000584468019 551501905 /nfs/dbraw/zinc/50/19/05/551501905.db2.gz UQYYZSWAERCBDA-UHFFFAOYSA-N -2 3 365.411 1.753 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])nc1C ZINC000584468095 551502009 /nfs/dbraw/zinc/50/20/09/551502009.db2.gz YNGVWNLAIOOJNR-IUODEOHRSA-N -2 3 365.455 1.822 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(F)c1 ZINC000593272818 552080288 /nfs/dbraw/zinc/08/02/88/552080288.db2.gz NDPWCIXVDYUJHR-LLVKDONJSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000593274643 552080816 /nfs/dbraw/zinc/08/08/16/552080816.db2.gz ARKBHGNDIAQGEW-SNVBAGLBSA-N -2 3 361.441 1.243 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc3c2OCCC3)c[n-]1 ZINC000593279455 552081999 /nfs/dbraw/zinc/08/19/99/552081999.db2.gz FYNPCZKDILNFDB-UHFFFAOYSA-N -2 3 351.384 1.712 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(=O)[O-])cs2)c(C)o1 ZINC000594573655 552335532 /nfs/dbraw/zinc/33/55/32/552335532.db2.gz OZWUGXAAJNWJPW-LURJTMIESA-N -2 3 374.396 1.569 20 0 FDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000594694281 552356290 /nfs/dbraw/zinc/35/62/90/552356290.db2.gz HZOJYHNLCGPUJW-SWLSCSKDSA-N -2 3 373.427 1.362 20 0 FDADHL COC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])n1 ZINC000594696867 552357235 /nfs/dbraw/zinc/35/72/35/552357235.db2.gz PKEARBBMUXEVTL-UHFFFAOYSA-N -2 3 369.399 1.306 20 0 FDADHL CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000594700336 552358738 /nfs/dbraw/zinc/35/87/38/552358738.db2.gz RBBPFMWUYQOSPA-JTQLQIEISA-N -2 3 369.317 1.547 20 0 FDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000609796382 554422852 /nfs/dbraw/zinc/42/28/52/554422852.db2.gz RSUOGSGRWDCSHE-QHCPKHFHSA-N -2 3 369.420 1.688 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000612428787 554776656 /nfs/dbraw/zinc/77/66/56/554776656.db2.gz IPSJUZXEMLORIC-UHFFFAOYSA-N -2 3 353.352 1.551 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c1 ZINC000612428758 554776756 /nfs/dbraw/zinc/77/67/56/554776756.db2.gz BBRFRNIFPCSCIA-UHFFFAOYSA-N -2 3 355.393 1.711 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)[n-]1 ZINC000617873641 555527638 /nfs/dbraw/zinc/52/76/38/555527638.db2.gz GZXQDEQQPBWTMC-UHFFFAOYSA-N -2 3 365.415 1.684 20 0 FDADHL CCOC(=O)c1nc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c[n-]1 ZINC000617873641 555527641 /nfs/dbraw/zinc/52/76/41/555527641.db2.gz GZXQDEQQPBWTMC-UHFFFAOYSA-N -2 3 365.415 1.684 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c[n-]1 ZINC000618906555 555693796 /nfs/dbraw/zinc/69/37/96/555693796.db2.gz MUCSRPBINJHMGG-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)[n-]1 ZINC000618906555 555693797 /nfs/dbraw/zinc/69/37/97/555693797.db2.gz MUCSRPBINJHMGG-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL C[C@]1(c2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000621600108 556118958 /nfs/dbraw/zinc/11/89/58/556118958.db2.gz VLVJGOJBWOFIJF-VEVIJQCQSA-N -2 3 359.382 1.114 20 0 FDADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000629294072 557754487 /nfs/dbraw/zinc/75/44/87/557754487.db2.gz VKTAICIZPSJCFO-AWEZNQCLSA-N -2 3 373.381 1.728 20 0 FDADHL C[C@@H]1C[C@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)O[C@H]1C(=O)[O-] ZINC000630163351 557884055 /nfs/dbraw/zinc/88/40/55/557884055.db2.gz IKDRTBBXEUHKQS-NZXMKCKXSA-N -2 3 360.363 1.014 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235779 557890445 /nfs/dbraw/zinc/89/04/45/557890445.db2.gz IEUBYXWCBIZNJL-ZDUSSCGKSA-N -2 3 367.427 1.769 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c(C)o1 ZINC000630246779 557891200 /nfs/dbraw/zinc/89/12/00/557891200.db2.gz AMHFFFBVMVMDDC-MRXNPFEDSA-N -2 3 372.443 1.650 20 0 FDADHL CC1(C)CCC[C@](NC(=O)C[N-]S(=O)(=O)c2cccs2)(C(=O)[O-])C1 ZINC000630247610 557891325 /nfs/dbraw/zinc/89/13/25/557891325.db2.gz OTCKRWHSAGXMOS-OAHLLOKOSA-N -2 3 374.484 1.566 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H]1CCOC1 ZINC000630414517 557906739 /nfs/dbraw/zinc/90/67/39/557906739.db2.gz UXMQDTIUJCFUFD-HZGVNTEJSA-N -2 3 370.246 1.279 20 0 FDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cscc2Br)C1 ZINC000630413770 557906867 /nfs/dbraw/zinc/90/68/67/557906867.db2.gz LEKZDOCMZNKATD-NKWVEPMBSA-N -2 3 352.231 1.818 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)[C@H]1CCCO1 ZINC000630422416 557908068 /nfs/dbraw/zinc/90/80/68/557908068.db2.gz LSMKNVYUCZDFEN-IUODEOHRSA-N -2 3 353.371 1.889 20 0 FDADHL CN1CCC(n2cc([N-]S(=O)(=O)c3cc([O-])cc(F)c3)cn2)CC1 ZINC000634795298 558529481 /nfs/dbraw/zinc/52/94/81/558529481.db2.gz QJHMODJWCMFVAG-UHFFFAOYSA-N -2 3 354.407 1.795 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000408513514 570564115 /nfs/dbraw/zinc/56/41/15/570564115.db2.gz FRGPMCKNLIJHJK-MRVPVSSYSA-N -2 3 365.183 1.837 20 0 FDADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342138 598841879 /nfs/dbraw/zinc/84/18/79/598841879.db2.gz MCNFZHCDQRXYOR-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342138 598841881 /nfs/dbraw/zinc/84/18/81/598841881.db2.gz MCNFZHCDQRXYOR-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737490373 598978298 /nfs/dbraw/zinc/97/82/98/598978298.db2.gz UBXLTPPQOLGDRS-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL Cc1ncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737490373 598978300 /nfs/dbraw/zinc/97/83/00/598978300.db2.gz UBXLTPPQOLGDRS-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736878241 599041829 /nfs/dbraw/zinc/04/18/29/599041829.db2.gz AHJGPCYIWDBLBJ-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736878241 599041831 /nfs/dbraw/zinc/04/18/31/599041831.db2.gz AHJGPCYIWDBLBJ-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737164845 599149853 /nfs/dbraw/zinc/14/98/53/599149853.db2.gz CIKNGKOWWBUARP-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737164845 599149858 /nfs/dbraw/zinc/14/98/58/599149858.db2.gz CIKNGKOWWBUARP-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)oc1C ZINC000272170757 674418933 /nfs/dbraw/zinc/41/89/33/674418933.db2.gz PZTWPEACMVBIFW-UHFFFAOYSA-N -2 3 363.392 1.603 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000760104536 597372485 /nfs/dbraw/zinc/37/24/85/597372485.db2.gz VPHLEYDDGFJTNC-UHFFFAOYSA-N -2 3 362.791 1.197 20 0 FDADHL O=C([O-])CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000738580483 597834209 /nfs/dbraw/zinc/83/42/09/597834209.db2.gz LCASLRVKXYDSRW-UHFFFAOYSA-N -2 3 370.358 1.976 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000776445847 598165097 /nfs/dbraw/zinc/16/50/97/598165097.db2.gz WDTWVAZRJIQCRG-UHFFFAOYSA-N -2 3 350.780 1.055 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCCCCC1 ZINC000738140919 598307541 /nfs/dbraw/zinc/30/75/41/598307541.db2.gz ZNUQTIWUZKJZDF-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCCCCC1 ZINC000738140919 598307543 /nfs/dbraw/zinc/30/75/43/598307543.db2.gz ZNUQTIWUZKJZDF-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736229183 598314320 /nfs/dbraw/zinc/31/43/20/598314320.db2.gz LLTNTPKWNZRMJC-HNNXBMFYSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736229183 598314322 /nfs/dbraw/zinc/31/43/22/598314322.db2.gz LLTNTPKWNZRMJC-HNNXBMFYSA-N -2 3 361.365 1.844 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736334656 598331011 /nfs/dbraw/zinc/33/10/11/598331011.db2.gz XEHXCXSQHGJLQD-ZDUSSCGKSA-N -2 3 365.459 1.885 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736334656 598331012 /nfs/dbraw/zinc/33/10/12/598331012.db2.gz XEHXCXSQHGJLQD-ZDUSSCGKSA-N -2 3 365.459 1.885 20 0 FDADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737170169 598627769 /nfs/dbraw/zinc/62/77/69/598627769.db2.gz HAHOYPRYANOOJW-HSZRJFAPSA-N -2 3 363.424 1.405 20 0 FDADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737170169 598627770 /nfs/dbraw/zinc/62/77/70/598627770.db2.gz HAHOYPRYANOOJW-HSZRJFAPSA-N -2 3 363.424 1.405 20 0 FDADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737282876 598638048 /nfs/dbraw/zinc/63/80/48/598638048.db2.gz KIPAKHGVNWXHPH-UHFFFAOYSA-N -2 3 367.394 1.919 20 0 FDADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737282876 598638050 /nfs/dbraw/zinc/63/80/50/598638050.db2.gz KIPAKHGVNWXHPH-UHFFFAOYSA-N -2 3 367.394 1.919 20 0 FDADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690198 599620010 /nfs/dbraw/zinc/62/00/10/599620010.db2.gz HIKZGQFSQWXTIL-BXUZGUMPSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690198 599620011 /nfs/dbraw/zinc/62/00/11/599620011.db2.gz HIKZGQFSQWXTIL-BXUZGUMPSA-N -2 3 363.443 1.639 20 0 FDADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821008716 599623201 /nfs/dbraw/zinc/62/32/01/599623201.db2.gz KIZZNAYPKGLMBA-MRVPVSSYSA-N -2 3 357.823 1.761 20 0 FDADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821008716 599623202 /nfs/dbraw/zinc/62/32/02/599623202.db2.gz KIZZNAYPKGLMBA-MRVPVSSYSA-N -2 3 357.823 1.761 20 0 FDADHL CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736893914 599772061 /nfs/dbraw/zinc/77/20/61/599772061.db2.gz NDWYYTNNJHDCDS-UHFFFAOYSA-N -2 3 372.443 1.683 20 0 FDADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000737576010 599779083 /nfs/dbraw/zinc/77/90/83/599779083.db2.gz DZYRZFGEUNOMNY-GFCCVEGCSA-N -2 3 367.379 1.521 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(=O)[n-]1 ZINC000738846664 599976096 /nfs/dbraw/zinc/97/60/96/599976096.db2.gz GOUDUQRDZVVGFY-OAHLLOKOSA-N -2 3 365.336 1.952 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c([O-])c1 ZINC000738514419 600319672 /nfs/dbraw/zinc/31/96/72/600319672.db2.gz HBDBQGVGTISEOJ-AWEZNQCLSA-N -2 3 360.410 1.534 20 0 FDADHL C[C@@H](CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000736574696 600594362 /nfs/dbraw/zinc/59/43/62/600594362.db2.gz FTSRZAXMENJAAG-JTQLQIEISA-N -2 3 374.434 1.695 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(OCC(=O)[O-])c1 ZINC000738916099 600635244 /nfs/dbraw/zinc/63/52/44/600635244.db2.gz VZOHONAGERWPNL-UHFFFAOYSA-N -2 3 373.818 1.324 20 0 FDADHL C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736582348 600904726 /nfs/dbraw/zinc/90/47/26/600904726.db2.gz GOASJLYDQOIWTC-LBPRGKRZSA-N -2 3 366.373 1.933 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000831934337 601212178 /nfs/dbraw/zinc/21/21/78/601212178.db2.gz JBCBUMVUUGWFFH-YFKPBYRVSA-N -2 3 360.240 1.927 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1C(=O)[O-] ZINC000833029217 601222319 /nfs/dbraw/zinc/22/23/19/601222319.db2.gz ZYQHFHLNKXPSQX-GHMZBOCLSA-N -2 3 358.416 1.212 20 0 FDADHL CC(C)C[C@H](NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000826794196 601446232 /nfs/dbraw/zinc/44/62/32/601446232.db2.gz VZQNMVMGPIOIGJ-NSHDSACASA-N -2 3 361.753 1.957 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2)ccc1F ZINC000831033765 601682522 /nfs/dbraw/zinc/68/25/22/601682522.db2.gz DUWBWRNQSOFNBK-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC000827562797 601791632 /nfs/dbraw/zinc/79/16/32/601791632.db2.gz FRBWMKOSDVPAQE-QMMMGPOBSA-N -2 3 359.791 1.530 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000833028864 601809539 /nfs/dbraw/zinc/80/95/39/601809539.db2.gz RFIPLXWJDOPGLL-NOZJJQNGSA-N -2 3 370.427 1.212 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000751142932 601830319 /nfs/dbraw/zinc/83/03/19/601830319.db2.gz WEJAPWXXYWALME-UHFFFAOYSA-N -2 3 358.326 1.375 20 0 FDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CSCN3C(=O)[O-])cc2)n1 ZINC000740055581 601910258 /nfs/dbraw/zinc/91/02/58/601910258.db2.gz VVCYDECYPMLYJP-GFCCVEGCSA-N -2 3 360.395 1.737 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1-c1nn[n-]n1 ZINC000826303783 607534434 /nfs/dbraw/zinc/53/44/34/607534434.db2.gz FHCRVKLRCFMRRE-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)s1 ZINC000739790779 601986660 /nfs/dbraw/zinc/98/66/60/601986660.db2.gz DDHUCSDICUSZAR-UHFFFAOYSA-N -2 3 362.429 1.203 20 0 FDADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000831072008 602143421 /nfs/dbraw/zinc/14/34/21/602143421.db2.gz HXANJNQDOCECSI-JTQLQIEISA-N -2 3 359.331 1.175 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000270410368 602174225 /nfs/dbraw/zinc/17/42/25/602174225.db2.gz BWVSOGZPUALWAS-RXMQYKEDSA-N -2 3 356.183 1.531 20 0 FDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1 ZINC000765137287 602204858 /nfs/dbraw/zinc/20/48/58/602204858.db2.gz UMNZSIYVEAKIBK-UHFFFAOYSA-N -2 3 368.371 1.834 20 0 FDADHL C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000485864052 602252430 /nfs/dbraw/zinc/25/24/30/602252430.db2.gz PFYABYHJSVMWGW-MRVPVSSYSA-N -2 3 355.347 1.158 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(CNC(=O)[O-])CCCC2)s1 ZINC000739790465 602564233 /nfs/dbraw/zinc/56/42/33/602564233.db2.gz AKOTZYUMNDLLBF-UHFFFAOYSA-N -2 3 362.429 1.393 20 0 FDADHL O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740506761 602569139 /nfs/dbraw/zinc/56/91/39/602569139.db2.gz NLSWLVSPUPGFPG-LURJTMIESA-N -2 3 355.235 1.541 20 0 FDADHL O=C([O-])NCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000740658141 602733275 /nfs/dbraw/zinc/73/32/75/602733275.db2.gz FJDGGJNJPUSEAF-UHFFFAOYSA-N -2 3 354.160 1.288 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000740220406 602809420 /nfs/dbraw/zinc/80/94/20/602809420.db2.gz XFEKKYWTKFXMIA-GXTWGEPZSA-N -2 3 350.419 1.674 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])c2)n1 ZINC000739536502 603070921 /nfs/dbraw/zinc/07/09/21/603070921.db2.gz UCZKIXBPYQRLRC-KGLIPLIRSA-N -2 3 372.381 1.463 20 0 FDADHL O=S(=O)([N-]Cc1ccc(O)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492130 607622898 /nfs/dbraw/zinc/62/28/98/607622898.db2.gz UXZXLYNSEJMAKA-UHFFFAOYSA-N -2 3 367.337 1.329 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C(=O)[O-])oc1C ZINC000828760286 603491930 /nfs/dbraw/zinc/49/19/30/603491930.db2.gz AMTZXDFKFAMVJL-JTQLQIEISA-N -2 3 360.388 1.185 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(CNC(=O)[O-])C2CC2)oc1C ZINC000828760728 603492264 /nfs/dbraw/zinc/49/22/64/603492264.db2.gz HYSAXEHHMALDHT-AWEZNQCLSA-N -2 3 360.388 1.089 20 0 FDADHL CCC(CC)(CNC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000826548039 603538232 /nfs/dbraw/zinc/53/82/32/603538232.db2.gz ROUQOVWRIMFBSA-UHFFFAOYSA-N -2 3 361.420 1.052 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])n1 ZINC000828700552 603986970 /nfs/dbraw/zinc/98/69/70/603986970.db2.gz XCPQSNVSETVUKW-NXEZZACHSA-N -2 3 353.379 1.065 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])n[n-]1 ZINC000828700552 603986974 /nfs/dbraw/zinc/98/69/74/603986974.db2.gz XCPQSNVSETVUKW-NXEZZACHSA-N -2 3 353.379 1.065 20 0 FDADHL COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000828646229 604004066 /nfs/dbraw/zinc/00/40/66/604004066.db2.gz GWYGBMYOTHGEFD-LLVKDONJSA-N -2 3 365.386 1.192 20 0 FDADHL O=C([O-])NCCCOC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000832625855 604140724 /nfs/dbraw/zinc/14/07/24/604140724.db2.gz XHIRWFIJBCTLIK-UHFFFAOYSA-N -2 3 369.393 1.880 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(=O)[n-]1 ZINC000830716437 604167686 /nfs/dbraw/zinc/16/76/86/604167686.db2.gz RRFBDCFKVGNWFM-MFKMUULPSA-N -2 3 350.419 1.626 20 0 FDADHL CC(C)[C@H](CCN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[O-] ZINC000824086253 604240623 /nfs/dbraw/zinc/24/06/23/604240623.db2.gz UJCRVHWRGMBWAD-ZDUSSCGKSA-N -2 3 362.386 1.716 20 0 FDADHL CN(CCCNC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000828293893 604272600 /nfs/dbraw/zinc/27/26/00/604272600.db2.gz TULJFHQRBLJPAI-UHFFFAOYSA-N -2 3 360.208 1.954 20 0 FDADHL O=C([O-])N1CC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831715242 604273254 /nfs/dbraw/zinc/27/32/54/604273254.db2.gz PBKSPZMTYJSPHG-SECBINFHSA-N -2 3 358.192 1.706 20 0 FDADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H]([C@@H](C)NC(=O)[O-])C3)nc2)n1 ZINC000827557670 604452153 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CNS(=O)(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])ccc1[O-] ZINC000807385639 940343686 /nfs/dbraw/zinc/34/36/86/940343686.db2.gz SEQBTDBENHKVAR-UHFFFAOYSA-N -2 3 352.368 1.267 20 0 FDADHL CCOC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247839 970792324 /nfs/dbraw/zinc/79/23/24/970792324.db2.gz YEJBZAFLULCTLC-ZETCQYMHSA-N -2 3 351.327 1.283 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)c2cccnc2)c(F)cc1F ZINC001195257737 970798419 /nfs/dbraw/zinc/79/84/19/970798419.db2.gz HJUHGJPSRYKUHP-UHFFFAOYSA-N -2 3 356.306 1.219 20 0 FDADHL COC(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OC ZINC001195259984 970799957 /nfs/dbraw/zinc/79/99/57/970799957.db2.gz PXOBWGUPHXQRGZ-UHFFFAOYSA-N -2 3 353.343 1.340 20 0 FDADHL CCOC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195269326 970803692 /nfs/dbraw/zinc/80/36/92/970803692.db2.gz XFDVODTUMBUWRC-UHFFFAOYSA-N -2 3 363.338 1.427 20 0 FDADHL O=C([N-]OCC(F)F)[C@@H]1C[C@@]1(C(=O)[N-]OCC(F)F)c1ccccc1 ZINC000821937919 944746848 /nfs/dbraw/zinc/74/68/48/944746848.db2.gz NHWNBJMWRJKTQB-ZUZCIYMTSA-N -2 3 364.295 1.570 20 0 FDADHL COc1ccccc1-n1cnc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001195822419 971260602 /nfs/dbraw/zinc/26/06/02/971260602.db2.gz QGRWWPZKJZMGFR-UHFFFAOYSA-N -2 3 353.315 1.569 20 0 FDADHL COC1(C[C@@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C(=O)[O-])CCC1 ZINC000844826777 948421593 /nfs/dbraw/zinc/42/15/93/948421593.db2.gz SUURRHBBPTYFKH-SECBINFHSA-N -2 3 365.839 1.073 20 0 FDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)c1 ZINC000844893603 948475468 /nfs/dbraw/zinc/47/54/68/948475468.db2.gz XVFIIWYMTHBFOM-MRVPVSSYSA-N -2 3 370.210 1.385 20 0 FDADHL C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001575512618 949141723 /nfs/dbraw/zinc/14/17/23/949141723.db2.gz OOCVFUKJCZOPKA-SECBINFHSA-N -2 3 365.353 1.942 20 0 FDADHL C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001575512618 949141736 /nfs/dbraw/zinc/14/17/36/949141736.db2.gz OOCVFUKJCZOPKA-SECBINFHSA-N -2 3 365.353 1.942 20 0 FDADHL CC(C)(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1nc(=O)o[n-]1 ZINC001573821383 949773852 /nfs/dbraw/zinc/77/38/52/949773852.db2.gz BCIOORFNGRFBCQ-JTQLQIEISA-N -2 3 361.337 1.199 20 0 FDADHL CC(C)(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1nc(=O)o[n-]1 ZINC001573821383 949773874 /nfs/dbraw/zinc/77/38/74/949773874.db2.gz BCIOORFNGRFBCQ-JTQLQIEISA-N -2 3 361.337 1.199 20 0 FDADHL C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nn(C)cc1[O-] ZINC001575285121 949931072 /nfs/dbraw/zinc/93/10/72/949931072.db2.gz YWCDWGDMLAIYFJ-VIFPVBQESA-N -2 3 359.415 1.275 20 0 FDADHL O=C([O-])Cn1cnc([N-]C(=O)c2nc(Br)sc2C2CC2)n1 ZINC001595160193 952190511 /nfs/dbraw/zinc/19/05/11/952190511.db2.gz GPHUVZMUVQNMMX-UHFFFAOYSA-N -2 3 372.204 1.711 20 0 FDADHL O=C([O-])c1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccn1 ZINC001595208546 952350167 /nfs/dbraw/zinc/35/01/67/952350167.db2.gz KIKNVWSWJDKXJB-UHFFFAOYSA-N -2 3 370.365 1.475 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnc(Br)c1F ZINC001147933511 952572189 /nfs/dbraw/zinc/57/21/89/952572189.db2.gz HWLMBTAOTYWGIT-UHFFFAOYSA-N -2 3 355.100 1.671 20 0 FDADHL Cc1cc(=O)n(-c2ccc(C(=O)Nc3[nH]c(=O)[n-]c(=O)c3N=O)cc2)[n-]1 ZINC001148329430 952689321 /nfs/dbraw/zinc/68/93/21/952689321.db2.gz OYYPNUGGHZCFAC-UHFFFAOYSA-N -2 3 356.298 1.651 20 0 FDADHL CC(=O)c1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)ccc1[O-] ZINC001148663706 952775416 /nfs/dbraw/zinc/77/54/16/952775416.db2.gz CKDYFQVGWWIJNV-UHFFFAOYSA-N -2 3 360.347 1.279 20 0 FDADHL CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589473871 954941511 /nfs/dbraw/zinc/94/15/11/954941511.db2.gz KAYIMCRXUIBWTH-MNOVXSKESA-N -2 3 351.403 1.758 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1F ZINC000823855317 955533679 /nfs/dbraw/zinc/53/36/79/955533679.db2.gz NEASDWGRSCIGBY-NSHDSACASA-N -2 3 372.418 1.451 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000844698876 955674657 /nfs/dbraw/zinc/67/46/57/955674657.db2.gz LSGTZEWOTORGBP-HNNXBMFYSA-N 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/nfs/dbraw/zinc/77/61/75/959776175.db2.gz BXYPVNBCPFFOCX-SCLBCKFNSA-N -2 3 360.414 1.387 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c(Cl)c1 ZINC001604931722 972493678 /nfs/dbraw/zinc/49/36/78/972493678.db2.gz CCEOIVXBOVFDMG-UHFFFAOYSA-N -2 3 358.763 1.385 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C=Cc3ccc(C(=O)[O-])o3)C2)n1 ZINC001574305946 960736247 /nfs/dbraw/zinc/73/62/47/960736247.db2.gz ANPSVGPEODPPEL-PZBABLGHSA-N -2 3 372.381 1.580 20 0 FDADHL O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000774274569 961971107 /nfs/dbraw/zinc/97/11/07/961971107.db2.gz QFKFIWRLLFFZBT-UHFFFAOYSA-N -2 3 373.394 1.733 20 0 FDADHL CC(C)C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001588905548 962263384 /nfs/dbraw/zinc/26/33/84/962263384.db2.gz IQAXWDPYLFSOPW-QKVFXAPYSA-N -2 3 354.494 1.751 20 0 FDADHL COC(=O)c1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c([O-])c(OC)c1 ZINC001574083431 962307671 /nfs/dbraw/zinc/30/76/71/962307671.db2.gz PIKLWWQBVMPMQU-GHMZBOCLSA-N -2 3 367.354 1.396 20 0 FDADHL COC[C@]1(C(=O)[O-])CN(C(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC001574147532 962633223 /nfs/dbraw/zinc/63/32/23/962633223.db2.gz WNXCUUWSRSMVKB-INIZCTEOSA-N -2 3 351.380 1.549 20 0 FDADHL COc1ccc2[nH]cc(C(=O)C(=O)NCCCCP(=O)([O-])[O-])c2c1 ZINC001184493871 963618507 /nfs/dbraw/zinc/61/85/07/963618507.db2.gz ZSRNWVYTEQOGJD-UHFFFAOYSA-N -2 3 354.299 1.433 20 0 FDADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1nc(SC)ncc1[O-] ZINC001185186199 963849366 /nfs/dbraw/zinc/84/93/66/963849366.db2.gz KBAGQEXORKRFPJ-UHFFFAOYSA-N -2 3 353.331 1.788 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C2CCC2)n1 ZINC001185567886 963980965 /nfs/dbraw/zinc/98/09/65/963980965.db2.gz IMSGDLGMTTYRCW-UHFFFAOYSA-N -2 3 359.415 1.897 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C2CCC2)n1 ZINC001185567886 963980969 /nfs/dbraw/zinc/98/09/69/963980969.db2.gz IMSGDLGMTTYRCW-UHFFFAOYSA-N -2 3 359.415 1.897 20 0 FDADHL O=c1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)o[n-]1 ZINC001186352799 964440125 /nfs/dbraw/zinc/44/01/25/964440125.db2.gz QJKWATRACLNCDW-UHFFFAOYSA-N -2 3 368.596 1.670 20 0 FDADHL Cc1cc(C)c(NC(=O)c2ccccc2-c2nnn[n-]2)c(S(=O)(=O)[O-])c1 ZINC001187008603 964923123 /nfs/dbraw/zinc/92/31/23/964923123.db2.gz GOATWOYLDXZDIV-UHFFFAOYSA-N -2 3 373.394 1.983 20 0 FDADHL Cc1cc(C)c(NC(=O)c2ccccc2-c2nn[n-]n2)c(S(=O)(=O)[O-])c1 ZINC001187008603 964923125 /nfs/dbraw/zinc/92/31/25/964923125.db2.gz GOATWOYLDXZDIV-UHFFFAOYSA-N -2 3 373.394 1.983 20 0 FDADHL Cc1cccc(C)c1N1C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])CC1=O ZINC001180680352 965495865 /nfs/dbraw/zinc/49/58/65/965495865.db2.gz XPPNTLIBOIRDIX-AWEZNQCLSA-N -2 3 368.370 1.730 20 0 FDADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001188395360 966262019 /nfs/dbraw/zinc/26/20/19/966262019.db2.gz SPTFGEISMWSUKR-UHFFFAOYSA-N -2 3 359.400 1.652 20 0 FDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3cccc(OC(F)(F)F)c3[O-])c1-2 ZINC001189748818 967220393 /nfs/dbraw/zinc/22/03/93/967220393.db2.gz LXWMYUDAMWCBLK-UHFFFAOYSA-N -2 3 353.260 1.891 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776613504 967471463 /nfs/dbraw/zinc/47/14/63/967471463.db2.gz FLVZAJHJVBGXGL-RKDXNWHRSA-N -2 3 357.215 1.281 20 0 FDADHL COc1nc(S(=O)(=O)[N-]c2[nH]c(=S)[n-]c(=O)c2N=O)ccc1F ZINC001190065880 967498616 /nfs/dbraw/zinc/49/86/16/967498616.db2.gz GKVSYMADPSFGRQ-UHFFFAOYSA-N -2 3 361.336 1.212 20 0 FDADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000852733779 967559846 /nfs/dbraw/zinc/55/98/46/967559846.db2.gz YXLGRQSWSWLFPQ-UHFFFAOYSA-N -2 3 350.463 1.655 20 0 FDADHL O=C([O-])c1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852736171 967565415 /nfs/dbraw/zinc/56/54/15/967565415.db2.gz LJGSJTKMKGTZSN-VXGBXAGGSA-N -3 3 374.315 1.481 20 0 FDADHL CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](C)C(=O)[O-] ZINC000852954218 967728710 /nfs/dbraw/zinc/72/87/10/967728710.db2.gz DXSCWXAOOVPGOF-SECBINFHSA-N -2 3 358.391 1.202 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)NCc2ncccc2[O-])c(Cl)cc1F ZINC001194030785 969961639 /nfs/dbraw/zinc/96/16/39/969961639.db2.gz KNSLPSUFJTWMJV-UHFFFAOYSA-N -2 3 360.750 1.756 20 0 FDADHL O=C([O-])/C=C/c1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)co1 ZINC001606062839 973184777 /nfs/dbraw/zinc/18/47/77/973184777.db2.gz JFJFXVLCTGNXHN-AATRIKPKSA-N -2 3 370.361 1.681 20 0 FDADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605441255 973502131 /nfs/dbraw/zinc/50/21/31/973502131.db2.gz XHXKCYCHIKDIHV-ZMLRMANQSA-N -2 3 366.443 1.451 20 0 FDADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1 ZINC001198778670 973514226 /nfs/dbraw/zinc/51/42/26/973514226.db2.gz KELNQHIFHUMELM-UHFFFAOYSA-N -2 3 373.383 1.728 20 0 FDADHL CCOC(=O)C([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)=C(C)[O-] ZINC001201281112 974989247 /nfs/dbraw/zinc/98/92/47/974989247.db2.gz YJJAZYPZLHSCHN-NSHDSACASA-N -2 3 372.201 1.932 20 0 FDADHL C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001592205265 977237878 /nfs/dbraw/zinc/23/78/78/977237878.db2.gz ODRDMYMTZDGJLL-VHODGJRUSA-N -2 3 372.418 1.662 20 0 FDADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000849218674 977366819 /nfs/dbraw/zinc/36/68/19/977366819.db2.gz FLIARXKMHWYFNM-SSDOTTSWSA-N -2 3 374.159 1.298 20 0 FDADHL C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592458879 978175102 /nfs/dbraw/zinc/17/51/02/978175102.db2.gz HACMJVOHZCUPSY-KOLCDFICSA-N -2 3 356.425 1.632 20 0 FDADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592478448 978251251 /nfs/dbraw/zinc/25/12/51/978251251.db2.gz VJUCMVJOVNWZMU-HTQZYQBOSA-N -3 3 350.418 1.399 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])c(F)cc1F ZINC000776602191 978756839 /nfs/dbraw/zinc/75/68/39/978756839.db2.gz RXPWKYZDZARBLX-ZDUSSCGKSA-N -2 3 363.382 1.821 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2ncn(C)c2Cl)sc1C(=O)[O-] ZINC000776531244 978953326 /nfs/dbraw/zinc/95/33/26/978953326.db2.gz IWFBECUEIYIICZ-UHFFFAOYSA-N -2 3 350.809 1.015 20 0 FDADHL NC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000832379564 979044872 /nfs/dbraw/zinc/04/48/72/979044872.db2.gz LZTQGIRZLOBTNJ-CYBMUJFWSA-N -2 3 352.343 1.029 20 0 FDADHL COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837290059 979272692 /nfs/dbraw/zinc/27/26/92/979272692.db2.gz MYFCMDCDTDHOIL-JTQLQIEISA-N -2 3 373.818 1.294 20 0 FDADHL CC[C@@H](CCO)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595127855 979521716 /nfs/dbraw/zinc/52/17/16/979521716.db2.gz BOQONHYWEFJEOA-LURJTMIESA-N -2 3 372.262 1.648 20 0 FDADHL C[C@@](Cn1cnc2ccccc21)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC001592931397 979982194 /nfs/dbraw/zinc/98/21/94/979982194.db2.gz LZNWYEKTRZCKEN-SFHVURJKSA-N -2 3 355.350 1.721 20 0 FDADHL CC[C@]([N-]S(=O)(=O)c1occc1C(=O)OC)(C(=O)[O-])c1ccccc1 ZINC001595317566 980494903 /nfs/dbraw/zinc/49/49/03/980494903.db2.gz ZIYFQFYEXNYEFJ-MRXNPFEDSA-N -2 3 367.379 1.735 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595538853 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1.989 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275182284 181256600 /nfs/dbraw/zinc/25/66/00/181256600.db2.gz DPONATJTZDOZIG-XYPYZODXSA-N -2 3 373.402 1.782 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cs1 ZINC000275206123 181260344 /nfs/dbraw/zinc/26/03/44/181260344.db2.gz HHSMCXBXMYYFLU-LURJTMIESA-N -2 3 361.319 1.219 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)nc1Cl ZINC000275310372 181287260 /nfs/dbraw/zinc/28/72/60/181287260.db2.gz RIRJLVQEKCLYLY-NSHDSACASA-N -2 3 357.819 1.958 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])s1 ZINC000275312406 181287364 /nfs/dbraw/zinc/28/73/64/181287364.db2.gz RLAUMHUSVKTGJL-GFCCVEGCSA-N -2 3 355.441 1.377 20 0 FDADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000535054841 540446646 /nfs/dbraw/zinc/44/66/46/540446646.db2.gz XIMOCCBCFLIMKP-UHFFFAOYSA-N -2 3 355.343 1.884 20 0 FDADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000536610877 540626972 /nfs/dbraw/zinc/62/69/72/540626972.db2.gz NOIXIYPIDMTZTH-UHFFFAOYSA-N -3 3 368.342 1.147 20 0 FDADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1 ZINC000536610877 540626974 /nfs/dbraw/zinc/62/69/74/540626974.db2.gz NOIXIYPIDMTZTH-UHFFFAOYSA-N -2 3 368.342 1.147 20 0 FDADHL O=C(Nc1ccncc1[O-])c1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000537159391 540694022 /nfs/dbraw/zinc/69/40/22/540694022.db2.gz RNYRXKSJSVNDJY-UHFFFAOYSA-N -2 3 350.334 1.236 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000537197469 540699553 /nfs/dbraw/zinc/69/95/53/540699553.db2.gz HXNXLMSBBXCKML-UHFFFAOYSA-N -2 3 372.424 1.157 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)c1 ZINC000538298260 540838417 /nfs/dbraw/zinc/83/84/17/540838417.db2.gz KHQKBIGWQXXETR-UHFFFAOYSA-N -2 3 363.395 1.643 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(C)o1 ZINC000538448829 540858345 /nfs/dbraw/zinc/85/83/45/540858345.db2.gz VLOSXNLFPDTSIG-MRXNPFEDSA-N -2 3 363.395 1.752 20 0 FDADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2sc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000275549144 181348255 /nfs/dbraw/zinc/34/82/55/181348255.db2.gz DPFWCWBYVAQVCS-IINYFYTJSA-N -2 3 362.473 1.697 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000570564191 549326710 /nfs/dbraw/zinc/32/67/10/549326710.db2.gz IATYGVXAJXZAPA-CABZTGNLSA-N -2 3 361.391 1.636 20 0 FDADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cccc3nonc32)(C(=O)[O-])C1(C)C ZINC000275658795 181379229 /nfs/dbraw/zinc/37/92/29/181379229.db2.gz OQJAUISTRQARGO-XHDPSFHLSA-N -2 3 369.399 1.160 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)o1 ZINC000545545729 541997288 /nfs/dbraw/zinc/99/72/88/541997288.db2.gz NRWDOVNVFGQHEX-UHFFFAOYSA-N -2 3 354.384 1.542 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(=O)Nc2ccccc2)c1 ZINC000546957427 542264753 /nfs/dbraw/zinc/26/47/53/542264753.db2.gz PBUXNOAGEDGHMK-UHFFFAOYSA-N -2 3 366.370 1.749 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c(F)cc1C ZINC000296881597 184210585 /nfs/dbraw/zinc/21/05/85/184210585.db2.gz HZXSAYKZCXDWSR-SECBINFHSA-N -2 3 361.391 1.700 20 0 FDADHL COc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cccs2)C(=O)[O-])c1 ZINC000297129563 184237312 /nfs/dbraw/zinc/23/73/12/184237312.db2.gz HGAVQJXATZAOSY-LBPRGKRZSA-N -2 3 355.437 1.979 20 0 FDADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547561136 542375123 /nfs/dbraw/zinc/37/51/23/542375123.db2.gz NAEKFDFUVIQDNY-FZMZJTMJSA-N -2 3 374.802 1.696 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)oc1C ZINC000547567494 542377527 /nfs/dbraw/zinc/37/75/27/542377527.db2.gz BZRWWJMXNYRWIS-MGPLVRAMSA-N -2 3 373.427 1.934 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000547573840 542379994 /nfs/dbraw/zinc/37/99/94/542379994.db2.gz BLBINGPKOGOMGU-JTQLQIEISA-N -2 3 359.429 1.002 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000547557481 542374097 /nfs/dbraw/zinc/37/40/97/542374097.db2.gz ORHNNGUOXMMPCP-LLVKDONJSA-N -2 3 371.392 1.345 20 0 FDADHL NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547613644 542391218 /nfs/dbraw/zinc/39/12/18/542391218.db2.gz DKMNIQYZHIJJGY-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000547613444 542391316 /nfs/dbraw/zinc/39/13/16/542391316.db2.gz YDPPWEHWDPPJLG-SNVBAGLBSA-N -2 3 363.457 1.631 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)CC(=O)[O-] ZINC000547614345 542392074 /nfs/dbraw/zinc/39/20/74/542392074.db2.gz SXBZYSKWOOOQAN-SECBINFHSA-N -2 3 363.819 1.906 20 0 FDADHL CCOC(=O)CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000547582598 542383125 /nfs/dbraw/zinc/38/31/25/542383125.db2.gz LEQUPYPVTCULFD-UHFFFAOYSA-N -2 3 360.344 1.378 20 0 FDADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000547583270 542383143 /nfs/dbraw/zinc/38/31/43/542383143.db2.gz YRCMEAYDNPBODK-LBPRGKRZSA-N -2 3 367.345 1.652 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c[nH]1 ZINC000547869840 542470404 /nfs/dbraw/zinc/47/04/04/542470404.db2.gz YRNWKCNMKIOULW-UHFFFAOYSA-N -2 3 358.759 1.954 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)on1 ZINC000547869903 542470068 /nfs/dbraw/zinc/47/00/68/542470068.db2.gz QOAHOEBGKWUFKM-UHFFFAOYSA-N -2 3 354.340 1.394 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCOC1 ZINC000547876342 542472628 /nfs/dbraw/zinc/47/26/28/542472628.db2.gz ACZFPAGEQQCJKC-HQJQHLMTSA-N -2 3 371.308 1.613 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c1F ZINC000547876268 542472544 /nfs/dbraw/zinc/47/25/44/542472544.db2.gz KUDLIJVPNSHGMZ-GFCCVEGCSA-N -2 3 352.387 1.751 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c(Cl)cc1F ZINC000547880739 542474823 /nfs/dbraw/zinc/47/48/23/542474823.db2.gz ZAVNCYFNIXQDBJ-LBPRGKRZSA-N -2 3 361.782 1.625 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c(C)o1 ZINC000547888805 542478052 /nfs/dbraw/zinc/47/80/52/542478052.db2.gz LNXHAHOOYRBHAH-QFYYESIMSA-N -2 3 373.427 1.934 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cnc2c1Cl ZINC000547935881 542493246 /nfs/dbraw/zinc/49/32/46/542493246.db2.gz CNUVOASOCMHVLL-MRVPVSSYSA-N -2 3 360.823 1.470 20 0 FDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000547938618 542494250 /nfs/dbraw/zinc/49/42/50/542494250.db2.gz ZBYSFSMBCTWZHR-LLVKDONJSA-N -2 3 351.783 1.888 20 0 FDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000547940561 542494445 /nfs/dbraw/zinc/49/44/45/542494445.db2.gz PXVSPRZMSHDOTK-UHFFFAOYSA-N -2 3 373.770 1.881 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c[nH]1 ZINC000548205117 542585161 /nfs/dbraw/zinc/58/51/61/542585161.db2.gz FWHWAFWRUJRSHR-LLVKDONJSA-N -2 3 357.819 1.593 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCC[C@]3(C)C(=O)[O-])cnc2c1Cl ZINC000548225527 542592132 /nfs/dbraw/zinc/59/21/32/542592132.db2.gz VPJMYORLBNEETJ-YGRLFVJLSA-N -2 3 372.834 1.613 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c1 ZINC000548215467 542588410 /nfs/dbraw/zinc/58/84/10/542588410.db2.gz CPTXQVMGFFXXML-CQSZACIVSA-N -2 3 351.428 1.433 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c1 ZINC000548243860 542598781 /nfs/dbraw/zinc/59/87/81/542598781.db2.gz YHRIPFUVFTVGEV-UHFFFAOYSA-N -2 3 369.420 1.754 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000548531573 542692987 /nfs/dbraw/zinc/69/29/87/542692987.db2.gz UVVCTCWAJLVUNK-CABZTGNLSA-N -2 3 363.819 1.507 20 0 FDADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000548535711 542694060 /nfs/dbraw/zinc/69/40/60/542694060.db2.gz RBONJVQXAOIBFZ-SNVBAGLBSA-N -2 3 353.391 1.543 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548538374 542695524 /nfs/dbraw/zinc/69/55/24/542695524.db2.gz YLMVQHKLTRCIEK-CPCISQLKSA-N -2 3 353.318 1.262 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548538376 542695596 /nfs/dbraw/zinc/69/55/96/542695596.db2.gz YLMVQHKLTRCIEK-RDDDGLTNSA-N -2 3 353.318 1.262 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c1 ZINC000548540599 542696103 /nfs/dbraw/zinc/69/61/03/542696103.db2.gz AEWTYZGSCOLKSL-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2OC)C(=O)[O-])c1 ZINC000548549608 542699446 /nfs/dbraw/zinc/69/94/46/542699446.db2.gz PDXNHNKIXMHBFP-CYBMUJFWSA-N -2 3 367.427 1.133 20 0 FDADHL COCC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000551225938 543255834 /nfs/dbraw/zinc/25/58/34/543255834.db2.gz WNGBVMOWEPTELA-UHFFFAOYSA-N -2 3 366.436 1.045 20 0 FDADHL Cc1cc(C(=O)N2CCN(C)CC23CCCCC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000176994177 174098894 /nfs/dbraw/zinc/09/88/94/174098894.db2.gz OEYQUAVHSAXKAK-UHFFFAOYSA-N -2 3 371.441 1.423 20 0 FDADHL CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000184912203 258384388 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1.482 20 0 FDADHL COC(=O)c1cc(Cl)cc(NC(=O)c2c[n-]n3c2nccc3=O)c1[O-] ZINC000588096505 551646394 /nfs/dbraw/zinc/64/63/94/551646394.db2.gz GQWLTQRCXTVXAB-UHFFFAOYSA-N -2 3 362.729 1.421 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)n[n-]1 ZINC000594706494 552360236 /nfs/dbraw/zinc/36/02/36/552360236.db2.gz RUXKIANBARWIOB-CYBMUJFWSA-N -2 3 359.448 1.923 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nnn[n-]3)c2)c1 ZINC000599334103 553030071 /nfs/dbraw/zinc/03/00/71/553030071.db2.gz DIOBRKCXGYBNQV-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nn[n-]n3)c2)c1 ZINC000599334103 553030073 /nfs/dbraw/zinc/03/00/73/553030073.db2.gz DIOBRKCXGYBNQV-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000605887998 554020930 /nfs/dbraw/zinc/02/09/30/554020930.db2.gz AHQFIBSPGSGUAU-QMMMGPOBSA-N -2 3 373.818 1.956 20 0 FDADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cnccn1 ZINC000614287747 555033441 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FDADHL C[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000485952543 599772666 /nfs/dbraw/zinc/77/26/66/599772666.db2.gz FAOUCMPBBINCGP-VIFPVBQESA-N -2 3 369.374 1.405 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000740174046 599774804 /nfs/dbraw/zinc/77/48/04/599774804.db2.gz QEVUQTYUCOVRBC-SNVBAGLBSA-N -2 3 350.352 1.062 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)o1 ZINC000740175267 599774888 /nfs/dbraw/zinc/77/48/88/599774888.db2.gz JDVLKSQNFYASEW-UHFFFAOYSA-N -2 3 364.379 1.236 20 0 FDADHL O=C([O-])[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000738552614 599976216 /nfs/dbraw/zinc/97/62/16/599976216.db2.gz OKGFICAXSJSKNQ-LLVKDONJSA-N -2 3 361.379 1.942 20 0 FDADHL COc1ccc([C@@H](NC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])cc1 ZINC000737964441 600485155 /nfs/dbraw/zinc/48/51/55/600485155.db2.gz KWFWGLOIDQJKJO-CQSZACIVSA-N -2 3 353.334 1.900 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000736390916 600497323 /nfs/dbraw/zinc/49/73/23/600497323.db2.gz WKMMOCNPPOCKGD-CYBMUJFWSA-N -2 3 368.415 1.613 20 0 FDADHL COc1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)cc1C(=O)[O-] ZINC000055545974 600541419 /nfs/dbraw/zinc/54/14/19/600541419.db2.gz PEYMZJIFNIYKEJ-UHFFFAOYSA-N -2 3 352.372 1.106 20 0 FDADHL O=C([O-])COc1cccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739835107 600641089 /nfs/dbraw/zinc/64/10/89/600641089.db2.gz TWIHEFZKQROROP-UHFFFAOYSA-N -2 3 369.333 1.355 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826492351 607462516 /nfs/dbraw/zinc/46/25/16/607462516.db2.gz GLSNSYUQTQNQGD-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC000788456056 600774788 /nfs/dbraw/zinc/77/47/88/600774788.db2.gz XMQFHXLCVMRCPG-LLVKDONJSA-N -2 3 357.819 1.529 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000832911790 600780793 /nfs/dbraw/zinc/78/07/93/600780793.db2.gz NJBHWOKQJJICPG-INIZCTEOSA-N -2 3 370.405 1.805 20 0 FDADHL CC(C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000736307562 600789533 /nfs/dbraw/zinc/78/95/33/600789533.db2.gz FMYNQQNQHRBIFI-UHFFFAOYSA-N -2 3 354.837 1.049 20 0 FDADHL CNC(=O)C1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000830978877 601233873 /nfs/dbraw/zinc/23/38/73/601233873.db2.gz LWAGPPLXKJHTDB-UHFFFAOYSA-N -2 3 362.354 1.000 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c1F ZINC000833294078 601237589 /nfs/dbraw/zinc/23/75/89/601237589.db2.gz NRDBWQRABAPKPR-SECBINFHSA-N -2 3 365.354 1.137 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c(C)o1 ZINC000831029103 601267299 /nfs/dbraw/zinc/26/72/99/601267299.db2.gz GMXODGJNLRZCLA-UHFFFAOYSA-N -2 3 363.351 1.911 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000426700470 601281365 /nfs/dbraw/zinc/28/13/65/601281365.db2.gz RETDDUWBGRUKHL-ZDUSSCGKSA-N -2 3 352.368 1.052 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000831034271 601358176 /nfs/dbraw/zinc/35/81/76/601358176.db2.gz RCCVRLCHYPEYNJ-UHFFFAOYSA-N -2 3 353.352 1.551 20 0 FDADHL CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000827033682 601403333 /nfs/dbraw/zinc/40/33/33/601403333.db2.gz OKKHXXOPZKYXPW-UHFFFAOYSA-N -2 3 369.399 1.279 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCC2)ccc1F ZINC000767067612 601432381 /nfs/dbraw/zinc/43/23/81/601432381.db2.gz ATHHKRYVNDLFDR-UHFFFAOYSA-N -2 3 372.418 1.640 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000831033987 601682695 /nfs/dbraw/zinc/68/26/95/601682695.db2.gz HUKPBEAVIVTSJG-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL CC(C)(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000826602034 601714452 /nfs/dbraw/zinc/71/44/52/601714452.db2.gz CGUVZPIQFQEXTE-UHFFFAOYSA-N -2 3 358.391 1.107 20 0 FDADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826284562 607535585 /nfs/dbraw/zinc/53/55/85/607535585.db2.gz XOSKNMZPYXRBHZ-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826284562 607535587 /nfs/dbraw/zinc/53/55/87/607535587.db2.gz XOSKNMZPYXRBHZ-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC(C)(C)C ZINC000827759899 601999277 /nfs/dbraw/zinc/99/92/77/601999277.db2.gz BVYKONHTEGOICB-SSDOTTSWSA-N -2 3 365.354 1.672 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(C(=O)[O-])c2)ccc1F ZINC000776209382 602021732 /nfs/dbraw/zinc/02/17/32/602021732.db2.gz RHFISSUVQPDOGT-UHFFFAOYSA-N -2 3 366.370 1.362 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)[O-] ZINC000738164280 602522607 /nfs/dbraw/zinc/52/26/07/602522607.db2.gz RPARYESTVZNUOT-UHFFFAOYSA-N -2 3 355.294 1.283 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])CC(C)C)c1 ZINC000739794621 602567179 /nfs/dbraw/zinc/56/71/79/602567179.db2.gz XGZWYGYOHINNCQ-JTQLQIEISA-N -2 3 364.445 1.495 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C(N)=O ZINC000739931423 602646397 /nfs/dbraw/zinc/64/63/97/602646397.db2.gz GBEMRLMZWLDWFO-UHFFFAOYSA-N -2 3 365.367 1.685 20 0 FDADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000740611849 603071322 /nfs/dbraw/zinc/07/13/22/603071322.db2.gz HSOSYHQBUPAORT-SSDOTTSWSA-N -2 3 369.262 1.835 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000828777934 603126496 /nfs/dbraw/zinc/12/64/96/603126496.db2.gz FGOYMWXXLXTIFL-CMPLNLGQSA-N -2 3 374.390 1.327 20 0 FDADHL CS(=O)(=O)c1ccsc1[N-]C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740000260 603227976 /nfs/dbraw/zinc/22/79/76/603227976.db2.gz XXWJBSYAZCKTNR-UHFFFAOYSA-N -2 3 361.426 1.628 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739994252 603237312 /nfs/dbraw/zinc/23/73/12/603237312.db2.gz CTTMTQGJXKBKFT-QWRGUYRKSA-N -2 3 355.416 1.823 20 0 FDADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000832253594 603466703 /nfs/dbraw/zinc/46/67/03/603466703.db2.gz GPLQJFPZCPVVHA-KGLIPLIRSA-N -2 3 361.398 1.113 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNC(=O)[O-])oc1C ZINC000828761459 603491816 /nfs/dbraw/zinc/49/18/16/603491816.db2.gz VIUOEVINKGLFHT-GXSJLCMTSA-N -2 3 360.388 1.089 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)[O-])C2)oc1C ZINC000828761404 603492339 /nfs/dbraw/zinc/49/23/39/603492339.db2.gz SRCBNZXVDLDVIH-JTQLQIEISA-N -2 3 360.388 1.043 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c(C)o1 ZINC000828580246 603532109 /nfs/dbraw/zinc/53/21/09/603532109.db2.gz XDXQFUOJVJKCIC-SKDRFNHKSA-N -2 3 373.431 1.147 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828579701 603532269 /nfs/dbraw/zinc/53/22/69/603532269.db2.gz PEVHOLGVBJUPKC-ONGXEEELSA-N -2 3 373.431 1.004 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)o1 ZINC000828580037 603534739 /nfs/dbraw/zinc/53/47/39/603534739.db2.gz SYDOUYAYPWJIII-UHFFFAOYSA-N -2 3 353.356 1.838 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828578817 603536502 /nfs/dbraw/zinc/53/65/02/603536502.db2.gz DMKKFQSUQWERGM-LLVKDONJSA-N -2 3 373.431 1.006 20 0 FDADHL O=C([O-])NCC1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCCC1 ZINC000832447654 603759453 /nfs/dbraw/zinc/75/94/53/603759453.db2.gz RGRLUPCBIQRPIF-UHFFFAOYSA-N -2 3 354.384 1.376 20 0 FDADHL C[C@@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000825185820 603886020 /nfs/dbraw/zinc/88/60/20/603886020.db2.gz JJEXTWXEIBHHSE-RXMQYKEDSA-N -2 3 350.112 1.591 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])c1F ZINC000828737976 604205307 /nfs/dbraw/zinc/20/53/07/604205307.db2.gz FZTJROFFSCAQTH-UHFFFAOYSA-N -2 3 366.342 1.076 20 0 FDADHL Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832964130 604655693 /nfs/dbraw/zinc/65/56/93/604655693.db2.gz DUQYXLYZMNYULS-GFCCVEGCSA-N -2 3 371.361 1.983 20 0 FDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)cc2)n1 ZINC000829894729 604755746 /nfs/dbraw/zinc/75/57/46/604755746.db2.gz WJHQAMYSHUBOPH-AWEZNQCLSA-N -2 3 372.381 1.453 20 0 FDADHL CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000271927654 605023272 /nfs/dbraw/zinc/02/32/72/605023272.db2.gz FMUGOQDEHQZZCU-GFCCVEGCSA-N -2 3 374.434 1.886 20 0 FDADHL COc1ccc(NC[C@@H]2CCCN(C(=O)[O-])C2)cc1[N-]S(C)(=O)=O ZINC000829479587 605242748 /nfs/dbraw/zinc/24/27/48/605242748.db2.gz KLZVKKUHCVSFEV-NSHDSACASA-N -2 3 357.432 1.869 20 0 FDADHL Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OC[C@H](C)NC(=O)[O-])C2)cc1 ZINC000833903210 605398090 /nfs/dbraw/zinc/39/80/90/605398090.db2.gz BTAAAMFTVDPNIF-DZGCQCFKSA-N -2 3 363.414 1.551 20 0 FDADHL O=C([O-])N1CCO[C@H](CC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831387084 605415487 /nfs/dbraw/zinc/41/54/87/605415487.db2.gz AHJQZAQXLTUHBY-SNVBAGLBSA-N -2 3 373.203 1.540 20 0 FDADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000834076716 605427680 /nfs/dbraw/zinc/42/76/80/605427680.db2.gz CPODYBCVHYLABF-SSDOTTSWSA-N -2 3 354.215 1.667 20 0 FDADHL O=C(COC(=O)C[C@H]1CSCCN1C(=O)[O-])[N-]C(=O)c1cccs1 ZINC000831507734 605822757 /nfs/dbraw/zinc/82/27/57/605822757.db2.gz PXLZESZIVVPDRD-VIFPVBQESA-N -2 3 372.424 1.033 20 0 FDADHL Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCCc1n[nH]c(=O)[n-]1 ZINC000822204463 606126603 /nfs/dbraw/zinc/12/66/03/606126603.db2.gz PKYNFGKOOADJRF-UHFFFAOYSA-N -2 3 369.364 1.153 20 0 FDADHL Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCCc1n[nH]c(=O)[n-]1 ZINC000822204463 606126604 /nfs/dbraw/zinc/12/66/04/606126604.db2.gz PKYNFGKOOADJRF-UHFFFAOYSA-N -2 3 369.364 1.153 20 0 FDADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821431413 606180803 /nfs/dbraw/zinc/18/08/03/606180803.db2.gz TVTSNTQUPOKXMU-UHFFFAOYSA-N -2 3 364.362 1.600 20 0 FDADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821431413 606180804 /nfs/dbraw/zinc/18/08/04/606180804.db2.gz TVTSNTQUPOKXMU-UHFFFAOYSA-N -2 3 364.362 1.600 20 0 FDADHL CSc1nsc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821990536 606694458 /nfs/dbraw/zinc/69/44/58/606694458.db2.gz UGZOVERCGFYWMQ-UHFFFAOYSA-N -2 3 355.355 1.971 20 0 FDADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000820081411 607001986 /nfs/dbraw/zinc/00/19/86/607001986.db2.gz FESRLOOYZAIEPD-UHFFFAOYSA-N -2 3 361.431 1.910 20 0 FDADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000820081411 607001989 /nfs/dbraw/zinc/00/19/89/607001989.db2.gz FESRLOOYZAIEPD-UHFFFAOYSA-N -2 3 361.431 1.910 20 0 FDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)cc1Cl ZINC000823589078 607027079 /nfs/dbraw/zinc/02/70/79/607027079.db2.gz MATGCRKBJRKISY-UHFFFAOYSA-N -2 3 360.783 1.917 20 0 FDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000821309757 607032588 /nfs/dbraw/zinc/03/25/88/607032588.db2.gz RVIIVGDISKCEQT-UHFFFAOYSA-N -2 3 362.419 1.316 20 0 FDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000821308622 607032853 /nfs/dbraw/zinc/03/28/53/607032853.db2.gz DRNLIRJLMOBNDZ-UHFFFAOYSA-N -2 3 362.419 1.141 20 0 FDADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)[N-]OCC(F)(F)F ZINC000822004104 607099783 /nfs/dbraw/zinc/09/97/83/607099783.db2.gz AHDGAXGHRFLCBM-UHFFFAOYSA-N -2 3 360.296 1.127 20 0 FDADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)[N-]OCC(F)(F)F ZINC000822004104 607099785 /nfs/dbraw/zinc/09/97/85/607099785.db2.gz AHDGAXGHRFLCBM-UHFFFAOYSA-N -2 3 360.296 1.127 20 0 FDADHL C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820234976 607126583 /nfs/dbraw/zinc/12/65/83/607126583.db2.gz PRBSPCBTZROOHD-RKDXNWHRSA-N -2 3 373.385 1.238 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CC12CCC2 ZINC000823284811 607130924 /nfs/dbraw/zinc/13/09/24/607130924.db2.gz KGNITAVXJATXFO-SNVBAGLBSA-N -2 3 367.818 1.515 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CC12CCC2 ZINC000823284811 607130927 /nfs/dbraw/zinc/13/09/27/607130927.db2.gz KGNITAVXJATXFO-SNVBAGLBSA-N -2 3 367.818 1.515 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826315783 608141416 /nfs/dbraw/zinc/14/14/16/608141416.db2.gz TZEADOLUWOWJLP-AATRIKPKSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315783 608141417 /nfs/dbraw/zinc/14/14/17/608141417.db2.gz TZEADOLUWOWJLP-AATRIKPKSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnn1CC(C)C ZINC000826242975 608269725 /nfs/dbraw/zinc/26/97/25/608269725.db2.gz OMNOCNVWBUDYBR-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnn1CC(C)C ZINC000826242975 608269727 /nfs/dbraw/zinc/26/97/27/608269727.db2.gz OMNOCNVWBUDYBR-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826399719 608274633 /nfs/dbraw/zinc/27/46/33/608274633.db2.gz DBWWXDHANDYXSK-UHFFFAOYSA-N -2 3 365.440 1.125 20 0 FDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826399719 608274635 /nfs/dbraw/zinc/27/46/35/608274635.db2.gz DBWWXDHANDYXSK-UHFFFAOYSA-N -2 3 365.440 1.125 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826492619 608307739 /nfs/dbraw/zinc/30/77/39/608307739.db2.gz VAJBNHPLCVVFKU-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825049803 609139480 /nfs/dbraw/zinc/13/94/80/609139480.db2.gz DXSGXUAGKXWXEM-GHMZBOCLSA-N -2 3 351.432 1.495 20 0 FDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825049803 609139482 /nfs/dbraw/zinc/13/94/82/609139482.db2.gz DXSGXUAGKXWXEM-GHMZBOCLSA-N -2 3 351.432 1.495 20 0 FDADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461371 609384146 /nfs/dbraw/zinc/38/41/46/609384146.db2.gz RLNBYQJYZLLDTK-AWEZNQCLSA-N -2 3 371.378 1.071 20 0 FDADHL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461371 609384148 /nfs/dbraw/zinc/38/41/48/609384148.db2.gz RLNBYQJYZLLDTK-AWEZNQCLSA-N -2 3 371.378 1.071 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826461376 609506756 /nfs/dbraw/zinc/50/67/56/609506756.db2.gz ROCQWRYHKQXKRZ-UHFFFAOYSA-N -2 3 367.431 1.321 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826461376 609506757 /nfs/dbraw/zinc/50/67/57/609506757.db2.gz ROCQWRYHKQXKRZ-UHFFFAOYSA-N -2 3 367.431 1.321 20 0 FDADHL CCc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000825750349 609530298 /nfs/dbraw/zinc/53/02/98/609530298.db2.gz QTWVTKQRISQAPI-UHFFFAOYSA-N -2 3 365.806 1.673 20 0 FDADHL CCc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000825750349 609530300 /nfs/dbraw/zinc/53/03/00/609530300.db2.gz QTWVTKQRISQAPI-UHFFFAOYSA-N -2 3 365.806 1.673 20 0 FDADHL COCC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273691027 674563079 /nfs/dbraw/zinc/56/30/79/674563079.db2.gz MCFGCHHTTRRJQM-ZCFIWIBFSA-N -2 3 372.262 1.912 20 0 FDADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)o1 ZINC000084650229 671479106 /nfs/dbraw/zinc/47/91/06/671479106.db2.gz VBARMNBUNAELQD-UHFFFAOYSA-N -2 3 350.396 1.925 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(Br)o1 ZINC000149626915 671855125 /nfs/dbraw/zinc/85/51/25/671855125.db2.gz GRRULMIOVPAQEA-LURJTMIESA-N -2 3 370.246 1.914 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(Br)o1 ZINC000228550673 672415055 /nfs/dbraw/zinc/41/50/55/672415055.db2.gz FFNWUHHUCLLTHE-ZCFIWIBFSA-N -2 3 370.246 1.772 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000261626904 672638741 /nfs/dbraw/zinc/63/87/41/672638741.db2.gz CZAPABOEMFVYPK-JTQLQIEISA-N -2 3 354.197 1.976 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000263485697 672878530 /nfs/dbraw/zinc/87/85/30/672878530.db2.gz MQHJWVYPIPMNJR-SNVBAGLBSA-N -2 3 372.624 1.216 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000290724641 676227200 /nfs/dbraw/zinc/22/72/00/676227200.db2.gz VKJUGQQFQCUWBD-VIFPVBQESA-N -2 3 359.297 1.613 20 0 FDADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cccnc2-n2cncn2)cc1 ZINC000326428365 676583049 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354.428 1.339 20 0 FDADHL O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907480584 854287000 /nfs/dbraw/zinc/28/70/00/854287000.db2.gz UQEYGXJXDSORAN-SECBINFHSA-N -2 3 359.333 1.854 20 0 FDADHL O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480584 854287008 /nfs/dbraw/zinc/28/70/08/854287008.db2.gz UQEYGXJXDSORAN-SECBINFHSA-N -2 3 359.333 1.854 20 0 FDADHL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000910184123 856949098 /nfs/dbraw/zinc/94/90/98/856949098.db2.gz CGWVIDPNMOBWKE-JKSUJKDBSA-N -2 3 360.410 1.672 20 0 FDADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000912559218 859908438 /nfs/dbraw/zinc/90/84/38/859908438.db2.gz VGBQJEQGACRHHR-DTWKUNHWSA-N -2 3 361.420 1.063 20 0 FDADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000916790799 882388695 /nfs/dbraw/zinc/38/86/95/882388695.db2.gz NECXMWAPALADHP-UHFFFAOYSA-N -2 3 363.395 1.049 20 0 FDADHL 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1.817 20 0 FDADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1F ZINC001593430541 995245776 /nfs/dbraw/zinc/24/57/76/995245776.db2.gz ABMCAZNBJDAMQT-OQPBUACISA-N -2 3 359.400 1.986 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC001598713949 995382875 /nfs/dbraw/zinc/38/28/75/995382875.db2.gz PVFUPDRJBSGFPH-GFCCVEGCSA-N -2 3 359.400 1.686 20 0 FDADHL COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001598742434 995567829 /nfs/dbraw/zinc/56/78/29/995567829.db2.gz AQWPIDFTTMNAPO-YGRLFVJLSA-N -2 3 358.350 1.007 20 0 FDADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001593762862 996434608 /nfs/dbraw/zinc/43/46/08/996434608.db2.gz VHZFLXSLHSOKET-OTYXRUKQSA-N -3 3 363.338 1.585 20 0 FDADHL COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC001598837994 996501871 /nfs/dbraw/zinc/50/18/71/996501871.db2.gz PKKYNXONNDCKQZ-VIFPVBQESA-N -2 3 365.716 1.573 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCC1 ZINC001598841136 996526491 /nfs/dbraw/zinc/52/64/91/996526491.db2.gz ZYDRGNDMNYIVRB-NSHDSACASA-N -2 3 359.400 1.686 20 0 FDADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)c([O-])c1 ZINC001599482024 996787262 /nfs/dbraw/zinc/78/72/62/996787262.db2.gz QDSZWIMSJIOWRG-MRXNPFEDSA-N -2 3 361.350 1.974 20 0 FDADHL Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC000651678305 1016068369 /nfs/dbraw/zinc/06/83/69/1016068369.db2.gz KNOIOZFLGUNGLP-UHFFFAOYSA-N -2 3 368.234 1.016 20 0 FDADHL CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc(C(=O)[O-])[nH]n3)c2C1 ZINC001593924522 996851675 /nfs/dbraw/zinc/85/16/75/996851675.db2.gz MYCTYUCQIVCJEM-UHFFFAOYSA-N -2 3 354.388 1.089 20 0 FDADHL COc1cc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1O ZINC001599404552 997272869 /nfs/dbraw/zinc/27/28/69/997272869.db2.gz VALYJHRGIVLVCI-UHFFFAOYSA-N -2 3 358.397 1.077 20 0 FDADHL COc1c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)oc2ccccc21 ZINC001599333809 997796235 /nfs/dbraw/zinc/79/62/35/997796235.db2.gz RBSHRTFXPROOCQ-UHFFFAOYSA-N -2 3 351.340 1.341 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001594114354 998235930 /nfs/dbraw/zinc/23/59/30/998235930.db2.gz VHTUZTUMYDBHFH-CYBMUJFWSA-N -2 3 364.427 1.887 20 0 FDADHL COc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)ccc1C(=O)[O-] ZINC001599459223 998242254 /nfs/dbraw/zinc/24/22/54/998242254.db2.gz HKEMPMWSRMJXTP-UHFFFAOYSA-N -2 3 368.342 1.432 20 0 FDADHL COC[C@@](C)([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(=O)[O-] ZINC001599154953 998356549 /nfs/dbraw/zinc/35/65/49/998356549.db2.gz BTSWNYFXPDHYGU-LLVKDONJSA-N -2 3 365.820 1.113 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC001599057790 999242805 /nfs/dbraw/zinc/24/28/05/999242805.db2.gz VDGPDHHLURSVEJ-ZWNOBZJWSA-N -2 3 363.819 1.831 20 0 FDADHL COc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)[n-]1 ZINC000778955577 1007066843 /nfs/dbraw/zinc/06/68/43/1007066843.db2.gz MHIGXCPIRMTQJN-UHFFFAOYSA-N -2 3 365.293 1.327 20 0 FDADHL COc1nc(NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)n[n-]1 ZINC000778955577 1007066857 /nfs/dbraw/zinc/06/68/57/1007066857.db2.gz MHIGXCPIRMTQJN-UHFFFAOYSA-N -2 3 365.293 1.327 20 0 FDADHL COc1n[n-]c(NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)n1 ZINC000778955577 1007066862 /nfs/dbraw/zinc/06/68/62/1007066862.db2.gz MHIGXCPIRMTQJN-UHFFFAOYSA-N -2 3 365.293 1.327 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C1CCOCC1 ZINC000647134114 1009505989 /nfs/dbraw/zinc/50/59/89/1009505989.db2.gz DZARPULYJUEOIK-CQSZACIVSA-N -2 3 351.371 1.854 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])sc1Cl ZINC000650428886 1011967946 /nfs/dbraw/zinc/96/79/46/1011967946.db2.gz VQICKIBPKDHDPH-MRVPVSSYSA-N -2 3 361.832 1.474 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1F ZINC000516937675 539332855 /nfs/dbraw/zinc/33/28/55/539332855.db2.gz BYSMWCGFMQLSCT-UHFFFAOYSA-N -2 3 374.419 1.599 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1-n1cnnn1 ZINC000517022979 539341912 /nfs/dbraw/zinc/34/19/12/539341912.db2.gz PQAUIEPKPTVKNF-UHFFFAOYSA-N -2 3 373.394 1.399 20 0 FDADHL CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000268897176 180175747 /nfs/dbraw/zinc/17/57/47/180175747.db2.gz PXSDUFHAHHCMTK-MRXNPFEDSA-N -2 3 374.434 1.886 20 0 FDADHL CCOc1nc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)ccc2[n-]1 ZINC000529109654 539804776 /nfs/dbraw/zinc/80/47/76/539804776.db2.gz QSHGQHSYVRVJDD-NSHDSACASA-N -2 3 367.427 1.589 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c1 ZINC000274922825 181195754 /nfs/dbraw/zinc/19/57/54/181195754.db2.gz NHHWRWOUTBDCCS-JTQLQIEISA-N -2 3 353.849 1.833 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000274929318 181198225 /nfs/dbraw/zinc/19/82/25/181198225.db2.gz OPQDFGZEBKHABR-SSDOTTSWSA-N -2 3 364.217 1.383 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c(Cl)c1Cl ZINC000274934846 181199501 /nfs/dbraw/zinc/19/95/01/181199501.db2.gz PRFSCUQFYUYNGM-XUOSJQGZSA-N -2 3 358.199 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ZINC000275191654 181257809 /nfs/dbraw/zinc/25/78/09/181257809.db2.gz FSBYGTNJNFFFHR-SSDOTTSWSA-N -2 3 371.745 1.498 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000275341596 181294255 /nfs/dbraw/zinc/29/42/55/181294255.db2.gz VIOFQSJDTFFNLC-QMMMGPOBSA-N -2 3 365.429 1.220 20 0 FDADHL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000226860283 209368893 /nfs/dbraw/zinc/36/88/93/209368893.db2.gz LTYARRUBVFNFDG-UHFFFAOYSA-N -2 3 360.347 1.158 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c1 ZINC000538296796 540838746 /nfs/dbraw/zinc/83/87/46/540838746.db2.gz SELWFHDLIRRNAB-UHFFFAOYSA-N -2 3 350.396 1.903 20 0 FDADHL COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1[N-]S(C)(=O)=O ZINC000540962400 541124489 /nfs/dbraw/zinc/12/44/89/541124489.db2.gz SJGZVIGPAMTSNY-UHFFFAOYSA-N -2 3 352.368 1.730 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c(F)c1 ZINC000541002401 541134315 /nfs/dbraw/zinc/13/43/15/541134315.db2.gz IZVKBOUSEOAOCT-UHFFFAOYSA-N -2 3 354.359 1.449 20 0 FDADHL C[C@@]1(c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2)NC(=O)[N-]C1=O ZINC000541575757 541231647 /nfs/dbraw/zinc/23/16/47/541231647.db2.gz ZBLCQNUUFXTRNO-IBGZPJMESA-N -2 3 367.361 1.621 20 0 FDADHL C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000275606314 181365775 /nfs/dbraw/zinc/36/57/75/181365775.db2.gz JSBNKZWXGRMUAP-LBPRGKRZSA-N -2 3 356.227 1.745 20 0 FDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2sccc2OC)(C(=O)[O-])C1(C)C ZINC000275623292 181370466 /nfs/dbraw/zinc/37/04/66/181370466.db2.gz LNEUJZZWSOGDNI-QMTHXVAHSA-N -2 3 363.457 1.693 20 0 FDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275664240 181381491 /nfs/dbraw/zinc/38/14/91/181381491.db2.gz PGPXHUMVJNYFKK-IUODEOHRSA-N -2 3 363.382 1.902 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000282857886 182066795 /nfs/dbraw/zinc/06/67/95/182066795.db2.gz OFWHBGFTPZPKCE-UHFFFAOYSA-N -2 3 354.609 1.998 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)c1 ZINC000545545926 541996859 /nfs/dbraw/zinc/99/68/59/541996859.db2.gz ONQTWJPCSVMZRY-UHFFFAOYSA-N -2 3 358.372 1.502 20 0 FDADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000297152670 184239562 /nfs/dbraw/zinc/23/95/62/184239562.db2.gz IXUMOIHQTVPDLH-SECBINFHSA-N -2 3 363.819 1.906 20 0 FDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000297353318 184261293 /nfs/dbraw/zinc/26/12/93/184261293.db2.gz ZIYLAFHWVPBXEK-SECBINFHSA-N -2 3 351.222 1.766 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])s1 ZINC000547576444 542380627 /nfs/dbraw/zinc/38/06/27/542380627.db2.gz JMLZBTMKJLGASP-LLVKDONJSA-N -2 3 355.441 1.322 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1 ZINC000547557096 542373284 /nfs/dbraw/zinc/37/32/84/542373284.db2.gz IRXITZOPJRFSFY-SNVBAGLBSA-N -2 3 369.317 1.389 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCc1ccccc1C(=O)[O-] ZINC000547615228 542392275 /nfs/dbraw/zinc/39/22/75/542392275.db2.gz RTHUGALQGXLBEX-UHFFFAOYSA-N -2 3 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COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])s1 ZINC000547893105 542479744 /nfs/dbraw/zinc/47/97/44/542479744.db2.gz XOWRDDATAHKHRK-JTQLQIEISA-N -2 3 363.457 1.775 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c1 ZINC000547910341 542484766 /nfs/dbraw/zinc/48/47/66/542484766.db2.gz FDOBAOIZWFDFNI-NSHDSACASA-N -2 3 365.404 1.097 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])nc1C ZINC000547934731 542492302 /nfs/dbraw/zinc/49/23/02/542492302.db2.gz IFTTZVBBDKCWCS-ZDUSSCGKSA-N -2 3 371.846 1.839 20 0 FDADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000548198150 542581293 /nfs/dbraw/zinc/58/12/93/542581293.db2.gz HHZXPJMIUWROHD-GWCFXTLKSA-N -2 3 359.375 1.997 20 0 FDADHL O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccccc1F ZINC000548203163 542584226 /nfs/dbraw/zinc/58/42/26/542584226.db2.gz PKGWAIOSTYOTTP-LBPRGKRZSA-N -2 3 367.354 1.529 20 0 FDADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C12CC3CC(CC(C3)C1)C2 ZINC000548228980 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CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000467994995 538710289 /nfs/dbraw/zinc/71/02/89/538710289.db2.gz QXYFARCEUONGCV-UHFFFAOYSA-N -2 3 354.359 1.740 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1C(=O)[O-] ZINC000489006310 538782201 /nfs/dbraw/zinc/78/22/01/538782201.db2.gz FKJWYNGZVPRUPE-UHFFFAOYSA-N -2 3 367.358 1.548 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(C)c2)cc1F ZINC000498024208 538798322 /nfs/dbraw/zinc/79/83/22/538798322.db2.gz FEMCPZMOARBJOM-UHFFFAOYSA-N -2 3 362.408 1.122 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000561263389 545777534 /nfs/dbraw/zinc/77/75/34/545777534.db2.gz USBIXIRIFXXVGG-UHFFFAOYSA-N -2 3 371.436 1.746 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000563066843 546382335 /nfs/dbraw/zinc/38/23/35/546382335.db2.gz AGMRTOZSJQTWMT-VHSXEESVSA-N -2 3 363.457 1.937 20 0 FDADHL CCOc1cc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1OC ZINC000563071292 546386238 /nfs/dbraw/zinc/38/62/38/546386238.db2.gz ZQGLBDFNPNQZGV-UHFFFAOYSA-N -2 3 372.424 1.727 20 0 FDADHL O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(O)c1 ZINC000563500098 546558947 /nfs/dbraw/zinc/55/89/47/546558947.db2.gz CGVGYNBOZJHJLE-ZDUSSCGKSA-N -2 3 355.306 1.223 20 0 FDADHL CCCC[C@H](COC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000563619778 546619060 /nfs/dbraw/zinc/61/90/60/546619060.db2.gz DPLPJTVPKKFYKB-SECBINFHSA-N -2 3 351.446 1.938 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000564155811 546826007 /nfs/dbraw/zinc/82/60/07/546826007.db2.gz UERCEGAKLAWJRY-OCCSQVGLSA-N -2 3 358.354 1.209 20 0 FDADHL CNS(=O)(=O)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1[O-] ZINC000564301606 546872810 /nfs/dbraw/zinc/87/28/10/546872810.db2.gz WCDWROWTQBRRNJ-UHFFFAOYSA-N -2 3 370.814 1.841 20 0 FDADHL COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000564924063 547106588 /nfs/dbraw/zinc/10/65/88/547106588.db2.gz UDGUISKBZYGFPO-JTQLQIEISA-N -2 3 355.368 1.732 20 0 FDADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)c[n-]c12 ZINC000565026333 547163271 /nfs/dbraw/zinc/16/32/71/547163271.db2.gz LVZRMKPQNUNGTJ-JTQLQIEISA-N -2 3 371.372 1.819 20 0 FDADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cncc([O-])c1 ZINC000565259331 547279237 /nfs/dbraw/zinc/27/92/37/547279237.db2.gz OVPHJUIRJAIFBK-UHFFFAOYSA-N -2 3 373.793 1.288 20 0 FDADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000565432418 547347240 /nfs/dbraw/zinc/34/72/40/547347240.db2.gz TXLBCQUUYLXPIE-XWEPSHTISA-N -2 3 365.183 1.884 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000566174628 547640594 /nfs/dbraw/zinc/64/05/94/547640594.db2.gz SGLWONALAPTKNX-NSHDSACASA-N -2 3 371.802 1.954 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C1CC1 ZINC000566179401 547644383 /nfs/dbraw/zinc/64/43/83/547644383.db2.gz WFVVRKZWGJTRRJ-OAHLLOKOSA-N -2 3 361.391 1.383 20 0 FDADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])no1 ZINC000566184136 547648400 /nfs/dbraw/zinc/64/84/00/547648400.db2.gz ZDPUQYAMTQIRRK-QMMMGPOBSA-N -2 3 358.338 1.797 20 0 FDADHL C[C@@H]1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@H]1C(=O)[O-] ZINC000566236052 547674592 /nfs/dbraw/zinc/67/45/92/547674592.db2.gz ZTFVWMDWMJJTRX-HONMWMINSA-N -2 3 374.397 1.012 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000566239981 547677634 /nfs/dbraw/zinc/67/76/34/547677634.db2.gz ADUDAJVUXMUQGB-CMPLNLGQSA-N -2 3 359.375 1.534 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000566676417 547849204 /nfs/dbraw/zinc/84/92/04/547849204.db2.gz MORWWFVPPSZUSX-NSHDSACASA-N -2 3 371.802 1.954 20 0 FDADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c[n-]nn1 ZINC000566892527 547920674 /nfs/dbraw/zinc/92/06/74/547920674.db2.gz VNCPFRVPCGAPIL-CQSZACIVSA-N -2 3 354.414 1.658 20 0 FDADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cnn[n-]1 ZINC000566892527 547920677 /nfs/dbraw/zinc/92/06/77/547920677.db2.gz VNCPFRVPCGAPIL-CQSZACIVSA-N -2 3 354.414 1.658 20 0 FDADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cn[n-]n1 ZINC000566892527 547920681 /nfs/dbraw/zinc/92/06/81/547920681.db2.gz VNCPFRVPCGAPIL-CQSZACIVSA-N -2 3 354.414 1.658 20 0 FDADHL COc1cccc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1OC ZINC000566972033 547948613 /nfs/dbraw/zinc/94/86/13/547948613.db2.gz WQWUFBJEMFSYCE-UHFFFAOYSA-N -2 3 372.424 1.380 20 0 FDADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000567462675 548125459 /nfs/dbraw/zinc/12/54/59/548125459.db2.gz GJQGKKRQMKSDLT-VIFPVBQESA-N -2 3 363.819 1.906 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000567464417 548126578 /nfs/dbraw/zinc/12/65/78/548126578.db2.gz RTUAADPQHGSEDV-JOYOIKCWSA-N -2 3 367.345 1.864 20 0 FDADHL Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1C ZINC000568008303 548359958 /nfs/dbraw/zinc/35/99/58/548359958.db2.gz UMERYOJYHDKFNG-SECBINFHSA-N -2 3 355.391 1.914 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000568990696 548759758 /nfs/dbraw/zinc/75/97/58/548759758.db2.gz GWNZVMXBWNRLND-NOZJJQNGSA-N -2 3 361.391 1.636 20 0 FDADHL COc1ccc(CCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000569967410 549113106 /nfs/dbraw/zinc/11/31/06/549113106.db2.gz XUQPMZCGQQPFFV-UHFFFAOYSA-N -2 3 356.425 1.761 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)CCOC(F)(F)F)c1c(F)cccc1F ZINC000570094453 549156823 /nfs/dbraw/zinc/15/68/23/549156823.db2.gz FNYNDJWUOGEXOA-VIFPVBQESA-N -2 3 363.260 1.546 20 0 FDADHL COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000570105978 549159922 /nfs/dbraw/zinc/15/99/22/549159922.db2.gz GNBMRADMDKRYPW-VHSXEESVSA-N -2 3 354.409 1.684 20 0 FDADHL COc1ccc([C@@H]([N-]S(=O)(=O)Cc2cc(C)no2)C(=O)[O-])cc1Cl ZINC000571044142 549504711 /nfs/dbraw/zinc/50/47/11/549504711.db2.gz ZXPBZPKVAPBHSB-CYBMUJFWSA-N -2 3 374.802 1.890 20 0 FDADHL O=C([O-])c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3c[nH]cn3)C2)cc1 ZINC000571085897 549521287 /nfs/dbraw/zinc/52/12/87/549521287.db2.gz GVIYAVLCTDJWOA-GFCCVEGCSA-N -2 3 350.400 1.055 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000571952441 549810392 /nfs/dbraw/zinc/81/03/92/549810392.db2.gz YJGGPBSADRWPKC-KOLCDFICSA-N -2 3 356.227 1.886 20 0 FDADHL O=S(=O)([N-]CC1([N-]S(=O)(=O)c2ccco2)CCC1)c1ccco1 ZINC000573347732 550118014 /nfs/dbraw/zinc/11/80/14/550118014.db2.gz HXDYNCIWUSVQLJ-UHFFFAOYSA-N -2 3 360.413 1.052 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)c1 ZINC000573377781 550123979 /nfs/dbraw/zinc/12/39/79/550123979.db2.gz VWAHJNGYRQQVHH-QWRGUYRKSA-N -2 3 361.391 1.305 20 0 FDADHL COc1cc([N-]S(=O)(=O)CCOC(F)(F)F)c(C(=O)[O-])cc1OC ZINC000573738826 550202966 /nfs/dbraw/zinc/20/29/66/550202966.db2.gz ZGHRZQOQMNYNPS-UHFFFAOYSA-N -2 3 373.305 1.680 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)cc1F ZINC000574772563 550367950 /nfs/dbraw/zinc/36/79/50/550367950.db2.gz TUVUUOOTCBTVTJ-SDBXPKJASA-N -2 3 359.375 1.390 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000574986365 550404615 /nfs/dbraw/zinc/40/46/15/550404615.db2.gz FKMUWDMXLMDPPM-UHFFFAOYSA-N -2 3 361.391 1.628 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000576765683 550583865 /nfs/dbraw/zinc/58/38/65/550583865.db2.gz ZSOLAGSXTTZZLE-QMMMGPOBSA-N -2 3 367.470 1.409 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]CCc1nc(C(=O)[O-])cs1 ZINC000576819704 550589423 /nfs/dbraw/zinc/58/94/23/550589423.db2.gz MLNJRVYCJYBJNO-UHFFFAOYSA-N -2 3 357.413 1.156 20 0 FDADHL O=C([O-])COCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000577450956 550657294 /nfs/dbraw/zinc/65/72/94/550657294.db2.gz QIXZCPBFOPMPCV-UHFFFAOYSA-N -2 3 361.269 1.104 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)ccc1[O-] ZINC000578812758 550804043 /nfs/dbraw/zinc/80/40/43/550804043.db2.gz SGZUZLHFHWXJMX-UHFFFAOYSA-N -2 3 361.379 1.395 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)cn1C ZINC000579561475 550885482 /nfs/dbraw/zinc/88/54/82/550885482.db2.gz MISPLJCCNZYADB-UHFFFAOYSA-N -2 3 351.428 1.763 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000580026729 550934689 /nfs/dbraw/zinc/93/46/89/550934689.db2.gz KUOHNQVPQJVTTM-ZCFIWIBFSA-N -2 3 361.269 1.102 20 0 FDADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000580864878 551026583 /nfs/dbraw/zinc/02/65/83/551026583.db2.gz LTYMNVSYQQIBCR-CYBMUJFWSA-N -2 3 352.343 1.029 20 0 FDADHL CC[C@H](C)C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000580953843 551036658 /nfs/dbraw/zinc/03/66/58/551036658.db2.gz DZJIGJQIMYHKBJ-ZANVPECISA-N -2 3 360.407 1.816 20 0 FDADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000581248960 551068170 /nfs/dbraw/zinc/06/81/70/551068170.db2.gz SJUNGHMHVATRBD-SNVBAGLBSA-N -2 3 353.400 1.274 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000582338062 551209164 /nfs/dbraw/zinc/20/91/64/551209164.db2.gz BGHZWBHMEOOOLL-LBPRGKRZSA-N -2 3 369.420 1.681 20 0 FDADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000582358225 551212683 /nfs/dbraw/zinc/21/26/83/551212683.db2.gz MJDPQOFVWMUIHJ-LLVKDONJSA-N -2 3 356.322 1.259 20 0 FDADHL Cc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000583101367 551303764 /nfs/dbraw/zinc/30/37/64/551303764.db2.gz WDLJIXPRXYATEB-MISXGVKJSA-N -2 3 371.441 1.547 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c(F)cc1F ZINC000583540545 551366532 /nfs/dbraw/zinc/36/65/32/551366532.db2.gz ONJROOGSAWVJKP-LLVKDONJSA-N -2 3 373.381 1.229 20 0 FDADHL CCc1cnc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)[O-])O3)s1 ZINC000583809883 551404992 /nfs/dbraw/zinc/40/49/92/551404992.db2.gz JDALYVHZQDDQMN-CYBMUJFWSA-N -2 3 368.436 1.572 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c3ccccc3)cn21 ZINC000583983376 551430280 /nfs/dbraw/zinc/43/02/80/551430280.db2.gz LFZWYRZPCOBDOH-JSGCOSHPSA-N -2 3 363.439 1.927 20 0 FDADHL CC(=O)N1CCC([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CC1 ZINC000584176606 551459164 /nfs/dbraw/zinc/45/91/64/551459164.db2.gz OLXOSIPIUMJPJN-UHFFFAOYSA-N -2 3 358.391 1.122 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C3CCOCC3)cn21 ZINC000584464979 551501217 /nfs/dbraw/zinc/50/12/17/551501217.db2.gz OAKYALLTTVBACX-WCQYABFASA-N -2 3 371.459 1.186 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c1 ZINC000584549389 551515906 /nfs/dbraw/zinc/51/59/06/551515906.db2.gz YTAMPTYLMNEYLG-UHFFFAOYSA-N -2 3 364.408 1.506 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)c[n-]1 ZINC000589589146 551736912 /nfs/dbraw/zinc/73/69/12/551736912.db2.gz ZJLWBXKZCYLFMK-UHFFFAOYSA-N -2 3 367.383 1.103 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)[n-]1 ZINC000589589146 551736913 /nfs/dbraw/zinc/73/69/13/551736913.db2.gz ZJLWBXKZCYLFMK-UHFFFAOYSA-N -2 3 367.383 1.103 20 0 FDADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592457243 551998020 /nfs/dbraw/zinc/99/80/20/551998020.db2.gz CZJWTXVVAOLSQA-DJLDLDEBSA-N -2 3 361.338 1.043 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)oc1C ZINC000593943774 552231244 /nfs/dbraw/zinc/23/12/44/552231244.db2.gz DNFAYEKHXGSXQW-JFUSQASVSA-N -2 3 373.427 1.788 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccncc2)c(C)o1 ZINC000594682044 552354679 /nfs/dbraw/zinc/35/46/79/552354679.db2.gz SAPJRVULJQMRCB-LLVKDONJSA-N -2 3 368.367 1.264 20 0 FDADHL CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2nnc(CC(=O)OC)[n-]2)c1 ZINC000594729593 552365916 /nfs/dbraw/zinc/36/59/16/552365916.db2.gz YVUHXMGRXZIMIH-JTQLQIEISA-N -2 3 368.415 1.498 20 0 FDADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C1CCC1 ZINC000596025866 552645901 /nfs/dbraw/zinc/64/59/01/552645901.db2.gz COJRIEZAKXHMHM-JTQLQIEISA-N -2 3 361.441 1.622 20 0 FDADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000596027242 552646219 /nfs/dbraw/zinc/64/62/19/552646219.db2.gz RVACTGBMIVVGDH-MRVPVSSYSA-N -2 3 361.338 1.045 20 0 FDADHL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000597681737 552821497 /nfs/dbraw/zinc/82/14/97/552821497.db2.gz FISLKCQDEKNDSK-UHFFFAOYSA-N -2 3 361.379 1.553 20 0 FDADHL COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616087 553103944 /nfs/dbraw/zinc/10/39/44/553103944.db2.gz DVGSHFLOMQBMNZ-WCBMZHEXSA-N -2 3 368.411 1.351 20 0 FDADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000614337174 555039976 /nfs/dbraw/zinc/03/99/76/555039976.db2.gz GTEFERUOGUYUOH-MRVPVSSYSA-N -2 3 351.327 1.168 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000614817457 555120243 /nfs/dbraw/zinc/12/02/43/555120243.db2.gz LXACRIFGHUUNIT-MNOVXSKESA-N -2 3 361.373 1.954 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)n1 ZINC000614921031 555137538 /nfs/dbraw/zinc/13/75/38/555137538.db2.gz ARXAONKHIHAOTF-UHFFFAOYSA-N -2 3 359.361 1.411 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c[n-]1 ZINC000618906425 555693842 /nfs/dbraw/zinc/69/38/42/555693842.db2.gz ISSCNSUEMPKOIE-UHFFFAOYSA-N -2 3 357.363 1.843 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)[n-]1 ZINC000618906425 555693846 /nfs/dbraw/zinc/69/38/46/555693846.db2.gz ISSCNSUEMPKOIE-UHFFFAOYSA-N -2 3 357.363 1.843 20 0 FDADHL C[C@@H]1[C@H](C)N(C(=O)c2ncccc2[O-])CCN1C(=O)c1ncccc1[O-] ZINC000620744545 555977754 /nfs/dbraw/zinc/97/77/54/555977754.db2.gz KNLGFINFXAYXMG-TXEJJXNPSA-N -2 3 356.382 1.263 20 0 FDADHL CCO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)[O-])c1c(F)cccc1F)C1CC1 ZINC000629295327 557754980 /nfs/dbraw/zinc/75/49/80/557754980.db2.gz JPUXJCIHJFPQMX-JSGCOSHPSA-N -2 3 363.382 1.825 20 0 FDADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(=O)[O-])C1CC1 ZINC000629295743 557755355 /nfs/dbraw/zinc/75/53/55/557755355.db2.gz KALNPPOQKBACGR-HNNXBMFYSA-N -2 3 370.427 1.900 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)C(=O)[O-])n1 ZINC000629297079 557755679 /nfs/dbraw/zinc/75/56/79/557755679.db2.gz NSHZJXMKEGVUBG-LLVKDONJSA-N -2 3 373.381 1.518 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000629300876 557756704 /nfs/dbraw/zinc/75/67/04/557756704.db2.gz UBAKUMRPKHLYAY-AWEZNQCLSA-N -2 3 357.359 1.924 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000629332803 557766549 /nfs/dbraw/zinc/76/65/49/557766549.db2.gz QRRARLWIKBZVNV-NSHDSACASA-N -2 3 354.409 1.261 20 0 FDADHL COc1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCOC2)C(=O)[O-])c1F ZINC000629338916 557768818 /nfs/dbraw/zinc/76/88/18/557768818.db2.gz BXPXUZQJQADOQB-WDEREUQCSA-N -2 3 361.391 1.383 20 0 FDADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629341292 557769733 /nfs/dbraw/zinc/76/97/33/557769733.db2.gz WQAQTIZWYFLIKY-JQWIXIFHSA-N -2 3 361.391 1.383 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000630284878 557894909 /nfs/dbraw/zinc/89/49/09/557894909.db2.gz YOEQPKXOTNWJMB-KKUMJFAQSA-N -2 3 366.439 1.774 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630412962 557906592 /nfs/dbraw/zinc/90/65/92/557906592.db2.gz BANSZWSKNGAOHY-SSDOTTSWSA-N -2 3 358.235 1.279 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cscc2Br)CCOC1 ZINC000630418784 557907284 /nfs/dbraw/zinc/90/72/84/557907284.db2.gz VULDOKJAXYVMHE-VIFPVBQESA-N -2 3 356.219 1.033 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000630422213 557908000 /nfs/dbraw/zinc/90/80/00/557908000.db2.gz KWCPWAKWMJXUCZ-KCJUWKMLSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCOC1 ZINC000630432079 557909035 /nfs/dbraw/zinc/90/90/35/557909035.db2.gz JQLGIYPETKZGMY-ZDUSSCGKSA-N -2 3 351.783 1.639 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCCOC2)sc1Cl ZINC000630431640 557909048 /nfs/dbraw/zinc/90/90/48/557909048.db2.gz FRXNJYHNBWPJAF-LBPRGKRZSA-N -2 3 353.849 1.870 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ncn(C)c2Cl)cccc1-c1nnn[n-]1 ZINC000822128468 607255249 /nfs/dbraw/zinc/25/52/49/607255249.db2.gz CTHTUPDHDFHFCL-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ncn(C)c2Cl)cccc1-c1nn[n-]n1 ZINC000822128468 607255250 /nfs/dbraw/zinc/25/52/50/607255250.db2.gz CTHTUPDHDFHFCL-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737312398 598978453 /nfs/dbraw/zinc/97/84/53/598978453.db2.gz KJWGBQGOWCWTEG-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737312398 598978454 /nfs/dbraw/zinc/97/84/54/598978454.db2.gz KJWGBQGOWCWTEG-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1sccc1-c1nnn[n-]1 ZINC000738138155 599026403 /nfs/dbraw/zinc/02/64/03/599026403.db2.gz DUQXCFHTOMJPKA-UHFFFAOYSA-N -2 3 371.350 1.325 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1sccc1-c1nn[n-]n1 ZINC000738138155 599026404 /nfs/dbraw/zinc/02/64/04/599026404.db2.gz DUQXCFHTOMJPKA-UHFFFAOYSA-N -2 3 371.350 1.325 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c(C)s1 ZINC000737282592 599026875 /nfs/dbraw/zinc/02/68/75/599026875.db2.gz GMMKTTMUSXVDPB-UHFFFAOYSA-N -2 3 369.453 1.725 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c(C)s1 ZINC000737282592 599026877 /nfs/dbraw/zinc/02/68/77/599026877.db2.gz GMMKTTMUSXVDPB-UHFFFAOYSA-N -2 3 369.453 1.725 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000831631206 601804922 /nfs/dbraw/zinc/80/49/22/601804922.db2.gz BHDDVBUGUKKRLY-JTQLQIEISA-N -2 3 372.262 1.587 20 0 FDADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOC1 ZINC000397229703 602154898 /nfs/dbraw/zinc/15/48/98/602154898.db2.gz LPXVVSWSPVPLDH-NSHDSACASA-N -2 3 368.205 1.445 20 0 FDADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000823996687 603112586 /nfs/dbraw/zinc/11/25/86/603112586.db2.gz CICKWTRXVDUKQT-UHFFFAOYSA-N -2 3 352.210 1.169 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391436 598373335 /nfs/dbraw/zinc/37/33/35/598373335.db2.gz BILXIONPXFSPTG-UHFFFAOYSA-N -2 3 357.395 1.223 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391436 598373336 /nfs/dbraw/zinc/37/33/36/598373336.db2.gz BILXIONPXFSPTG-UHFFFAOYSA-N -2 3 357.395 1.223 20 0 FDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736668177 598481718 /nfs/dbraw/zinc/48/17/18/598481718.db2.gz YKSRANQUOGEXSF-GFCCVEGCSA-N -2 3 369.472 1.449 20 0 FDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736668177 598481720 /nfs/dbraw/zinc/48/17/20/598481720.db2.gz YKSRANQUOGEXSF-GFCCVEGCSA-N -2 3 369.472 1.449 20 0 FDADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738117833 598719371 /nfs/dbraw/zinc/71/93/71/598719371.db2.gz VWFOBKHDDUUVFQ-UHFFFAOYSA-N -2 3 363.337 1.140 20 0 FDADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738117833 598719372 /nfs/dbraw/zinc/71/93/72/598719372.db2.gz VWFOBKHDDUUVFQ-UHFFFAOYSA-N -2 3 363.337 1.140 20 0 FDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735953999 598733676 /nfs/dbraw/zinc/73/36/76/598733676.db2.gz PSFILWLNDCMCKO-UHFFFAOYSA-N -2 3 362.371 1.097 20 0 FDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735953999 598733677 /nfs/dbraw/zinc/73/36/77/598733677.db2.gz PSFILWLNDCMCKO-UHFFFAOYSA-N -2 3 362.371 1.097 20 0 FDADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736459551 598786817 /nfs/dbraw/zinc/78/68/17/598786817.db2.gz DVFDRPVCMJINHZ-NSHDSACASA-N -2 3 367.431 1.018 20 0 FDADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736459551 598786818 /nfs/dbraw/zinc/78/68/18/598786818.db2.gz DVFDRPVCMJINHZ-NSHDSACASA-N -2 3 367.431 1.018 20 0 FDADHL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735460321 599302210 /nfs/dbraw/zinc/30/22/10/599302210.db2.gz GPIBKIWYRRVANH-UHFFFAOYSA-N -2 3 372.410 1.650 20 0 FDADHL Cc1nc(SCC(=O)NCCCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000737481745 599519207 /nfs/dbraw/zinc/51/92/07/599519207.db2.gz AKWVNGKZFJGTNL-UHFFFAOYSA-N -2 3 364.431 1.260 20 0 FDADHL Cc1nc(SCC(=O)NCCCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000737481745 599519210 /nfs/dbraw/zinc/51/92/10/599519210.db2.gz AKWVNGKZFJGTNL-UHFFFAOYSA-N -2 3 364.431 1.260 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820690539 599619974 /nfs/dbraw/zinc/61/99/74/599619974.db2.gz NRIQOMVYQLEREN-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820690539 599619975 /nfs/dbraw/zinc/61/99/75/599619975.db2.gz NRIQOMVYQLEREN-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL O=C([O-])c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000738471486 599723081 /nfs/dbraw/zinc/72/30/81/599723081.db2.gz UDVFWIGBCXWWNB-UHFFFAOYSA-N -2 3 368.301 1.064 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC000327886531 599812020 /nfs/dbraw/zinc/81/20/20/599812020.db2.gz DOZPKHGUQAFXND-HNNXBMFYSA-N -2 3 363.391 1.886 20 0 FDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000675627835 599905256 /nfs/dbraw/zinc/90/52/56/599905256.db2.gz BNLSJNFZHLRNJX-UHFFFAOYSA-N -2 3 362.363 1.825 20 0 FDADHL O=C([O-])c1ccc(NC(=O)CO[N-]C(=O)CCOc2ccccc2)cc1 ZINC000739252061 600126730 /nfs/dbraw/zinc/12/67/30/600126730.db2.gz TVDSCEFCOUZCKE-UHFFFAOYSA-N -2 3 358.350 1.840 20 0 FDADHL O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000739441540 600510344 /nfs/dbraw/zinc/51/03/44/600510344.db2.gz DVVPZWRJHBGUDQ-UHFFFAOYSA-N -2 3 350.277 1.624 20 0 FDADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826484053 607462771 /nfs/dbraw/zinc/46/27/71/607462771.db2.gz LRKOQUHGSKUHEP-WAYWQWQTSA-N -2 3 351.779 1.656 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)ccc1C(=O)[O-] ZINC000671657769 600886955 /nfs/dbraw/zinc/88/69/55/600886955.db2.gz HPMXLKUPKMAQHR-UHFFFAOYSA-N -2 3 362.363 1.825 20 0 FDADHL COC(=O)c1sc2[n-]c(CSCC(C)=O)nc(=O)c2c1CC(=O)[O-] ZINC000831479076 600900989 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363.338 1.283 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)ccc1O ZINC000438723872 601334478 /nfs/dbraw/zinc/33/44/78/601334478.db2.gz NZAXHYJGPDWAGS-UHFFFAOYSA-N -2 3 365.363 1.986 20 0 FDADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)CC1 ZINC000833203583 601511372 /nfs/dbraw/zinc/51/13/72/601511372.db2.gz NINJBUWNAMBZAH-UHFFFAOYSA-N -2 3 365.411 1.335 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C(=O)[O-])ccc1F ZINC000831028879 601684487 /nfs/dbraw/zinc/68/44/87/601684487.db2.gz BVJSFXBQRPZDLF-UHFFFAOYSA-N -2 3 366.370 1.993 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC000827553822 601796986 /nfs/dbraw/zinc/79/69/86/601796986.db2.gz QCHHDQUCKFXDTM-BDAKNGLRSA-N -2 3 357.363 1.577 20 0 FDADHL COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-])n1 ZINC000832583397 601797209 /nfs/dbraw/zinc/79/72/09/601797209.db2.gz UWQARECKCXTSKV-VHSXEESVSA-N -2 3 369.399 1.446 20 0 FDADHL 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CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825049366 609147353 /nfs/dbraw/zinc/14/73/53/609147353.db2.gz BGPJCBXPCLPHIN-GXSJLCMTSA-N -2 3 351.432 1.662 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826333421 609526438 /nfs/dbraw/zinc/52/64/38/609526438.db2.gz GWUHZURNHCTBFW-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826333421 609526440 /nfs/dbraw/zinc/52/64/40/609526440.db2.gz GWUHZURNHCTBFW-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273634055 674557071 /nfs/dbraw/zinc/55/70/71/674557071.db2.gz CZGNWBIGSHJHLB-NSHDSACASA-N -2 3 365.354 1.529 20 0 FDADHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2[O-])cc1Cl ZINC000059768442 671284765 /nfs/dbraw/zinc/28/47/65/671284765.db2.gz CCCIBZHCFOUGHB-UHFFFAOYSA-N -2 3 351.771 1.541 20 0 FDADHL Cn1c(=O)c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2[n-]c1=S ZINC000132997096 671817942 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Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCC2)no1 ZINC000563076295 546389823 /nfs/dbraw/zinc/38/98/23/546389823.db2.gz RHGIJOXXTOGKDG-UHFFFAOYSA-N -2 3 357.413 1.886 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1)C1CC1 ZINC000564453335 546918923 /nfs/dbraw/zinc/91/89/23/546918923.db2.gz MQDQLGOAXBZVAY-OAHLLOKOSA-N -2 3 363.439 1.912 20 0 FDADHL COc1cc(O)cc([N-]S(=O)(=O)Cc2ccccc2CC(=O)[O-])c1 ZINC000564619358 546974337 /nfs/dbraw/zinc/97/43/37/546974337.db2.gz LHWOQXQPBFDOBE-UHFFFAOYSA-N -2 3 351.380 1.970 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000564838882 547060850 /nfs/dbraw/zinc/06/08/50/547060850.db2.gz LDOGGEQKVPMADO-RDDDGLTNSA-N -2 3 354.211 1.761 20 0 FDADHL COCCOc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000567805672 548265818 /nfs/dbraw/zinc/26/58/18/548265818.db2.gz RYKIRNJMHUKQMX-UHFFFAOYSA-N -2 3 372.424 1.345 20 0 FDADHL CSC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000569007377 548765778 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20 0 FDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cn(CC(C)C)cn2)C(=O)[O-])cc1 ZINC000570960521 549477317 /nfs/dbraw/zinc/47/73/17/549477317.db2.gz XORULLSCEHQNSA-HNNXBMFYSA-N -2 3 365.455 1.994 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000572616517 549956595 /nfs/dbraw/zinc/95/65/95/549956595.db2.gz FUWIMRLHUYZAPX-QWRGUYRKSA-N -2 3 361.489 1.655 20 0 FDADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@](COC)(C(=O)[O-])C3)nc2)n1 ZINC000572884546 550018160 /nfs/dbraw/zinc/01/81/60/550018160.db2.gz KIORNKWMWKGERK-SFHVURJKSA-N -2 3 358.398 1.734 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000573120313 550069569 /nfs/dbraw/zinc/06/95/69/550069569.db2.gz LYWKATQOBYXZBB-WCQYABFASA-N -2 3 359.375 1.534 20 0 FDADHL CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](CC)C(=O)[O-])cc(C3CC3)nc21 ZINC000573156899 550076343 /nfs/dbraw/zinc/07/63/43/550076343.db2.gz WURMPQRKPXSHDR-LLVKDONJSA-N -2 3 374.397 1.378 20 0 FDADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000573680844 550191174 /nfs/dbraw/zinc/19/11/74/550191174.db2.gz IBHLBCFKIZZEOI-UHFFFAOYSA-N -2 3 359.791 1.943 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c(F)c1 ZINC000573760920 550206676 /nfs/dbraw/zinc/20/66/76/550206676.db2.gz PQLVBYVSRVVQSD-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C(=O)[O-] ZINC000574515524 550326827 /nfs/dbraw/zinc/32/68/27/550326827.db2.gz RUGGFEZQIVYPMO-OAHLLOKOSA-N -2 3 363.407 1.773 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1 ZINC000574619541 550342684 /nfs/dbraw/zinc/34/26/84/550342684.db2.gz BZMLSBALTNIHCF-ZDUSSCGKSA-N -2 3 361.391 1.780 20 0 FDADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000575144879 550433802 /nfs/dbraw/zinc/43/38/02/550433802.db2.gz NAMIUKULRGUWIN-ZETCQYMHSA-N -2 3 362.791 1.554 20 0 FDADHL CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576155909 550516976 /nfs/dbraw/zinc/51/69/76/550516976.db2.gz 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Cc1oc(S(=O)(=O)[N-]CCCc2nnc3ccccn32)cc1C(=O)[O-] ZINC000584777562 551546692 /nfs/dbraw/zinc/54/66/92/551546692.db2.gz GAAORMTUHOLAQQ-UHFFFAOYSA-N -2 3 364.383 1.240 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccccc2COC)c[n-]1 ZINC000588945096 551700435 /nfs/dbraw/zinc/70/04/35/551700435.db2.gz SGZOEPGKLLMGEV-UHFFFAOYSA-N -2 3 353.400 1.675 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)CCc1cccs1 ZINC000589555624 551735888 /nfs/dbraw/zinc/73/58/88/551735888.db2.gz XNAIQCASURLSGA-UHFFFAOYSA-N -2 3 372.424 1.634 20 0 FDADHL CCc1cc(=O)n2nc([N-]S(=O)(=O)c3cccc(Cl)c3F)[n-]c2n1 ZINC000591768835 551907294 /nfs/dbraw/zinc/90/72/94/551907294.db2.gz FCNMVCFRLSVNIE-UHFFFAOYSA-N -2 3 371.781 1.573 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)cc1F ZINC000596026449 552645998 /nfs/dbraw/zinc/64/59/98/552645998.db2.gz KCRSMNSSHDGTQJ-GFCCVEGCSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c1 ZINC000596027583 552646325 /nfs/dbraw/zinc/64/63/25/552646325.db2.gz SAMRIDSOYRPCKK-ZDUSSCGKSA-N -2 3 359.375 1.392 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)c[n-]1 ZINC000600667293 553296845 /nfs/dbraw/zinc/29/68/45/553296845.db2.gz XXKMCKSEJIMZJT-UHFFFAOYSA-N -2 3 367.309 1.140 20 0 FDADHL COCCS(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000606342416 554057801 /nfs/dbraw/zinc/05/78/01/554057801.db2.gz CLSRDMCAGCKDCN-UHFFFAOYSA-N -2 3 370.452 1.876 20 0 FDADHL C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823811 555122602 /nfs/dbraw/zinc/12/26/02/555122602.db2.gz GYWZUSOGXMFQSV-NXEZZACHSA-N -2 3 371.397 1.553 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c[n-]1 ZINC000618906599 555694141 /nfs/dbraw/zinc/69/41/41/555694141.db2.gz PMNISCFPSXOUNA-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)[n-]1 ZINC000618906599 555694142 /nfs/dbraw/zinc/69/41/42/555694142.db2.gz PMNISCFPSXOUNA-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL C[C@@]1(c2ccc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000621567424 556113293 /nfs/dbraw/zinc/11/32/93/556113293.db2.gz SQVYOXIXXSQXPD-ACJLOTCBSA-N -2 3 359.382 1.211 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c(=O)[n-]1 ZINC000622612355 556268214 /nfs/dbraw/zinc/26/82/14/556268214.db2.gz VDZPZLOLLRIXGB-OAHLLOKOSA-N -2 3 353.386 1.151 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(=O)[n-]1 ZINC000622612355 556268216 /nfs/dbraw/zinc/26/82/16/556268216.db2.gz VDZPZLOLLRIXGB-OAHLLOKOSA-N -2 3 353.386 1.151 20 0 FDADHL C[C@@]1(c2ccc([N-]S(=O)(=O)c3cncc(F)c3)cc2)NC(=O)[N-]C1=O ZINC000623623130 556456030 /nfs/dbraw/zinc/45/60/30/556456030.db2.gz QQMGCYXBPGVNSE-HNNXBMFYSA-N -2 3 364.358 1.076 20 0 FDADHL CCC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)c1nnn[n-]1 ZINC000626024401 556976050 /nfs/dbraw/zinc/97/60/50/556976050.db2.gz JWUVGRYUCSSMGG-LLVKDONJSA-N -2 3 372.385 1.330 20 0 FDADHL CCC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)c1nn[n-]n1 ZINC000626024401 556976053 /nfs/dbraw/zinc/97/60/53/556976053.db2.gz JWUVGRYUCSSMGG-LLVKDONJSA-N -2 3 372.385 1.330 20 0 FDADHL Cc1c([C@@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)C(=O)[O-])cnn1C ZINC000629300871 557756732 /nfs/dbraw/zinc/75/67/32/557756732.db2.gz TYIWZUHGXZQMLW-CYBMUJFWSA-N -2 3 359.354 1.419 20 0 FDADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2ncc(C(=O)[O-])cn2)no1 ZINC000629314576 557760811 /nfs/dbraw/zinc/76/08/11/557760811.db2.gz YXOKBLBDMOBNJC-UHFFFAOYSA-N -2 3 354.388 1.080 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328702 557897994 /nfs/dbraw/zinc/89/79/94/557897994.db2.gz SZOXNYVHDDJMIX-MJBXVCDLSA-N -2 3 368.455 1.777 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cscc1Br)CC(=O)[O-] ZINC000630419693 557907545 /nfs/dbraw/zinc/90/75/45/557907545.db2.gz IWTBLZFGXDPKRJ-ZCFIWIBFSA-N -2 3 358.235 1.279 20 0 FDADHL COCCS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1 ZINC000634797000 558529880 /nfs/dbraw/zinc/52/98/80/558529880.db2.gz NRMSUZWRAJYTFE-UHFFFAOYSA-N -2 3 352.206 1.464 20 0 FDADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737022423 598843501 /nfs/dbraw/zinc/84/35/01/598843501.db2.gz SAASLUVFNYXZOV-UHFFFAOYSA-N -2 3 363.374 1.953 20 0 FDADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737022423 598843503 /nfs/dbraw/zinc/84/35/03/598843503.db2.gz SAASLUVFNYXZOV-UHFFFAOYSA-N -2 3 363.374 1.953 20 0 FDADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000735960841 598844326 /nfs/dbraw/zinc/84/43/26/598844326.db2.gz LREYRTNDHPTZLS-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000735960841 598844327 /nfs/dbraw/zinc/84/43/27/598844327.db2.gz LREYRTNDHPTZLS-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cccc1-c1nnn[n-]1 ZINC000822128890 607255228 /nfs/dbraw/zinc/25/52/28/607255228.db2.gz FZWMGFUPQMQFBT-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cccc1-c1nn[n-]n1 ZINC000822128890 607255229 /nfs/dbraw/zinc/25/52/29/607255229.db2.gz FZWMGFUPQMQFBT-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c(C)c1 ZINC000737370592 599025799 /nfs/dbraw/zinc/02/57/99/599025799.db2.gz TUZJORUZDUZQFL-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c(C)c1 ZINC000737370592 599025801 /nfs/dbraw/zinc/02/58/01/599025801.db2.gz TUZJORUZDUZQFL-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL COCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737022495 599157055 /nfs/dbraw/zinc/15/70/55/599157055.db2.gz UTKMEZYQHGDIHW-UHFFFAOYSA-N -2 3 352.401 1.270 20 0 FDADHL COCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737022495 599157057 /nfs/dbraw/zinc/15/70/57/599157057.db2.gz UTKMEZYQHGDIHW-UHFFFAOYSA-N -2 3 352.401 1.270 20 0 FDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735592988 599219666 /nfs/dbraw/zinc/21/96/66/599219666.db2.gz DLLPUQFXABJRBY-SREVYHEPSA-N -2 3 369.834 1.927 20 0 FDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735592988 599219667 /nfs/dbraw/zinc/21/96/67/599219667.db2.gz DLLPUQFXABJRBY-SREVYHEPSA-N -2 3 369.834 1.927 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)[O-])c2)cc1 ZINC000485529827 597025448 /nfs/dbraw/zinc/02/54/48/597025448.db2.gz JGQYTODACVATPA-UHFFFAOYSA-N -2 3 362.407 1.919 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C(=O)[O-] ZINC000818611485 597315463 /nfs/dbraw/zinc/31/54/63/597315463.db2.gz RPJSAEWOPFWFJF-UHFFFAOYSA-N -3 3 365.363 1.821 20 0 FDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000760122060 597396089 /nfs/dbraw/zinc/39/60/89/597396089.db2.gz YBZQJFAPMBZHHR-XVKPBYJWSA-N -2 3 364.807 1.299 20 0 FDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000766845042 597442056 /nfs/dbraw/zinc/44/20/56/597442056.db2.gz BJRJFSCIZIREBA-ZDUSSCGKSA-N -2 3 370.402 1.346 20 0 FDADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(F)c1 ZINC000485290999 597514093 /nfs/dbraw/zinc/51/40/93/597514093.db2.gz LGIUSCXARZIWFX-UHFFFAOYSA-N -2 3 364.310 1.208 20 0 FDADHL CC(=O)NCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H](C)C(=O)[O-] ZINC000819780230 597676224 /nfs/dbraw/zinc/67/62/24/597676224.db2.gz GERAXRAAZFEDDH-SNVBAGLBSA-N -2 3 372.381 1.493 20 0 FDADHL O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344742 598283622 /nfs/dbraw/zinc/28/36/22/598283622.db2.gz HHTFILPCNPUJQT-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000738140934 598307724 /nfs/dbraw/zinc/30/77/24/598307724.db2.gz ZZMJAXVKCIYWKR-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000738140934 598307725 /nfs/dbraw/zinc/30/77/25/598307725.db2.gz ZZMJAXVKCIYWKR-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3C)cc12 ZINC000737297775 598367400 /nfs/dbraw/zinc/36/74/00/598367400.db2.gz ZVLFGMSAOFSEHS-UHFFFAOYSA-N -2 3 371.382 1.821 20 0 FDADHL COc1cccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737141028 598492481 /nfs/dbraw/zinc/49/24/81/598492481.db2.gz JELACJLLAZVOMA-AREMUKBSSA-N -2 3 371.422 1.299 20 0 FDADHL Cc1cccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737412099 598492784 /nfs/dbraw/zinc/49/27/84/598492784.db2.gz TZIRPHIBPCEKJX-VWLOTQADSA-N -2 3 355.423 1.599 20 0 FDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821956323 607358478 /nfs/dbraw/zinc/35/84/78/607358478.db2.gz MDYLUZANKGWSFH-PLNGDYQASA-N -2 3 359.820 1.202 20 0 FDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821956323 607358479 /nfs/dbraw/zinc/35/84/79/607358479.db2.gz MDYLUZANKGWSFH-PLNGDYQASA-N -2 3 359.820 1.202 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736425294 598785277 /nfs/dbraw/zinc/78/52/77/598785277.db2.gz VPCYRRQRNMHOKX-LLVKDONJSA-N -2 3 367.431 1.128 20 0 FDADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690143 599621763 /nfs/dbraw/zinc/62/17/63/599621763.db2.gz HBCYLNXMGJFPGQ-BXUZGUMPSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690143 599621764 /nfs/dbraw/zinc/62/17/64/599621764.db2.gz HBCYLNXMGJFPGQ-BXUZGUMPSA-N -2 3 363.443 1.639 20 0 FDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822923751 599623413 /nfs/dbraw/zinc/62/34/13/599623413.db2.gz SYOHDXJZBXKPFO-ZZXKWVIFSA-N -2 3 353.791 1.291 20 0 FDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822923751 599623414 /nfs/dbraw/zinc/62/34/14/599623414.db2.gz SYOHDXJZBXKPFO-ZZXKWVIFSA-N -2 3 353.791 1.291 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000822221652 599695230 /nfs/dbraw/zinc/69/52/30/599695230.db2.gz ZIEHFHZVZLBLDC-UHFFFAOYSA-N -3 3 363.355 1.576 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)o1 ZINC000740176722 599768541 /nfs/dbraw/zinc/76/85/41/599768541.db2.gz RWNDNTBVHFTGLO-UHFFFAOYSA-N -2 3 361.379 1.701 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)o1 ZINC000739219332 599777289 /nfs/dbraw/zinc/77/72/89/599777289.db2.gz VIDLQYVPJOPYRJ-UHFFFAOYSA-N -2 3 358.416 1.343 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCOc1ccc(C(=O)[O-])cc1 ZINC000738914855 599940252 /nfs/dbraw/zinc/94/02/52/599940252.db2.gz HEVJYCUSLQYKRK-UHFFFAOYSA-N -2 3 373.818 1.437 20 0 FDADHL Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738996780 600053032 /nfs/dbraw/zinc/05/30/32/600053032.db2.gz BCHJYPXEHGVOJB-UHFFFAOYSA-N -2 3 369.449 1.794 20 0 FDADHL Cc1cccc(C[C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000738711592 600104229 /nfs/dbraw/zinc/10/42/29/600104229.db2.gz MCOJAOAAQPDJRJ-AWEZNQCLSA-N -2 3 366.373 1.552 20 0 FDADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(F)c1 ZINC000737699837 600236419 /nfs/dbraw/zinc/23/64/19/600236419.db2.gz LXBYDFXOVJXOES-UHFFFAOYSA-N -2 3 369.326 1.817 20 0 FDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCSCCC(=O)[O-] ZINC000738997068 600261721 /nfs/dbraw/zinc/26/17/21/600261721.db2.gz SRMLOUUZQOLRFY-UHFFFAOYSA-N -2 3 364.427 1.489 20 0 FDADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000820187762 607440903 /nfs/dbraw/zinc/44/09/03/607440903.db2.gz PQBUZAWZUKBTTO-UHFFFAOYSA-N -2 3 372.410 1.504 20 0 FDADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820187762 607440905 /nfs/dbraw/zinc/44/09/05/607440905.db2.gz PQBUZAWZUKBTTO-UHFFFAOYSA-N -2 3 372.410 1.504 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000736390903 600497175 /nfs/dbraw/zinc/49/71/75/600497175.db2.gz VMQSTKCUCAZROX-ZDUSSCGKSA-N -2 3 368.415 1.613 20 0 FDADHL CCOC(=O)[C@]1([N-]S(=O)(=O)CCCC(=O)[O-])CCc2ccccc21 ZINC000737134589 600499952 /nfs/dbraw/zinc/49/99/52/600499952.db2.gz QEMZYDYBSMPKMV-INIZCTEOSA-N -2 3 355.412 1.175 20 0 FDADHL Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)cc1 ZINC000832936247 600764563 /nfs/dbraw/zinc/76/45/63/600764563.db2.gz BJZRAFIEVFTUQW-LBPRGKRZSA-N -2 3 364.379 1.370 20 0 FDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000827374282 601122019 /nfs/dbraw/zinc/12/20/19/601122019.db2.gz FSCYLRJVJPHVPV-JTQLQIEISA-N -2 3 371.231 1.776 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)s1 ZINC000831331231 601216751 /nfs/dbraw/zinc/21/67/51/601216751.db2.gz DGJIOVBYVJCJSH-CYBMUJFWSA-N -2 3 363.413 1.075 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C(=O)NCc2ccccc2)cc1C(=O)[O-] ZINC000833028691 601218583 /nfs/dbraw/zinc/21/85/83/601218583.db2.gz NOUXXOVYXTZGCA-JTQLQIEISA-N -2 3 366.395 1.269 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC000833029033 601222022 /nfs/dbraw/zinc/22/20/22/601222022.db2.gz XQVAJSCVAVCDMB-SNVBAGLBSA-N -2 3 374.415 1.574 20 0 FDADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]2CCO[C@H]21 ZINC000828049857 601238194 /nfs/dbraw/zinc/23/81/94/601238194.db2.gz FUDREMHWJKUPLF-HAGUPOPPSA-N -2 3 361.366 1.755 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436741167 601387231 /nfs/dbraw/zinc/38/72/31/601387231.db2.gz SSBCRMSBSWOIOP-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1 ZINC000829881180 601401453 /nfs/dbraw/zinc/40/14/53/601401453.db2.gz ALTJKQPCGZFGNO-UHFFFAOYSA-N -2 3 359.381 1.695 20 0 FDADHL CC(C)C[C@@H](NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000826794191 601446271 /nfs/dbraw/zinc/44/62/71/601446271.db2.gz VZQNMVMGPIOIGJ-LLVKDONJSA-N -2 3 361.753 1.957 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(F)c1 ZINC000833087102 601485475 /nfs/dbraw/zinc/48/54/75/601485475.db2.gz YVQZUSRQXUIQKK-UHFFFAOYSA-N -2 3 374.296 1.702 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1Cl ZINC000669668624 601595996 /nfs/dbraw/zinc/59/59/96/601595996.db2.gz AOSHCVFPLZNDTA-LBPRGKRZSA-N -2 3 354.211 1.824 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1F ZINC000818326285 601624653 /nfs/dbraw/zinc/62/46/53/601624653.db2.gz VLOXKEJYEXCINV-NSHDSACASA-N -2 3 360.407 1.211 20 0 FDADHL O=C([O-])[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000531747798 601703371 /nfs/dbraw/zinc/70/33/71/601703371.db2.gz YDXFUBRWOFKZGC-ZDUSSCGKSA-N -2 3 365.183 1.884 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832993323 601758859 /nfs/dbraw/zinc/75/88/59/601758859.db2.gz SANQZRNYLDJTLR-NHYWBVRUSA-N -2 3 370.409 1.252 20 0 FDADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1-c1nnn[n-]1 ZINC000826196713 607527868 /nfs/dbraw/zinc/52/78/68/607527868.db2.gz LYLYMHWFVPWYBY-UHFFFAOYSA-N -2 3 373.413 1.917 20 0 FDADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1-c1nn[n-]n1 ZINC000826196713 607527869 /nfs/dbraw/zinc/52/78/69/607527869.db2.gz LYLYMHWFVPWYBY-UHFFFAOYSA-N -2 3 373.413 1.917 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1F ZINC000776444365 601811367 /nfs/dbraw/zinc/81/13/67/601811367.db2.gz VVKDHXLZFVTZAW-SNVBAGLBSA-N -2 3 361.782 1.625 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826210332 607537422 /nfs/dbraw/zinc/53/74/22/607537422.db2.gz NBFSAYDYBPBKHB-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826210332 607537424 /nfs/dbraw/zinc/53/74/24/607537424.db2.gz NBFSAYDYBPBKHB-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COC(=O)[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831105853 601991849 /nfs/dbraw/zinc/99/18/49/601991849.db2.gz AZSVQVHWNJYYEO-QWRGUYRKSA-N -2 3 359.400 1.768 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832993366 602031878 /nfs/dbraw/zinc/03/18/78/602031878.db2.gz VGRBINHPAFCROD-IBGZPJMESA-N -2 3 370.409 1.396 20 0 FDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000263198547 602038303 /nfs/dbraw/zinc/03/83/03/602038303.db2.gz UPWYWMLBIWBYJQ-GFCCVEGCSA-N -2 3 366.848 1.003 20 0 FDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 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CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC000825146877 607906915 /nfs/dbraw/zinc/90/69/15/607906915.db2.gz FRXFRBWSIHBWGD-NEPJUHHUSA-N -2 3 373.385 1.381 20 0 FDADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826321439 608057601 /nfs/dbraw/zinc/05/76/01/608057601.db2.gz FHZUDARCBAOOAK-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826321439 608057602 /nfs/dbraw/zinc/05/76/02/608057602.db2.gz FHZUDARCBAOOAK-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL O=S(=O)([N-]c1cccc2ncccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493019 608101712 /nfs/dbraw/zinc/10/17/12/608101712.db2.gz PBFSNWJCJOTKGZ-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc12 ZINC000826334084 608107847 /nfs/dbraw/zinc/10/78/47/608107847.db2.gz HISGMTNIXLWOBH-UHFFFAOYSA-N -2 3 370.398 1.258 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)=C1CCCC1 ZINC000824046772 608246319 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C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575163528 952280477 /nfs/dbraw/zinc/28/04/77/952280477.db2.gz CJGKTAZPBUXNCH-VIFPVBQESA-N -2 3 372.364 1.074 20 0 FDADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)s1 ZINC001602911598 971859648 /nfs/dbraw/zinc/85/96/48/971859648.db2.gz USNLZMUBPYKWKH-AWEZNQCLSA-N -2 3 357.388 1.464 20 0 FDADHL O=C([O-])c1ccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(F)c1 ZINC001594804126 953768634 /nfs/dbraw/zinc/76/86/34/953768634.db2.gz NDDJEHMALQCEIT-SNVBAGLBSA-N -2 3 361.333 1.420 20 0 FDADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCc1ccccc1 ZINC001594894980 954560351 /nfs/dbraw/zinc/56/03/51/954560351.db2.gz DDSRNYGJKXCHPN-KGLIPLIRSA-N -2 3 374.359 1.799 20 0 FDADHL C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589131931 956205931 /nfs/dbraw/zinc/20/59/31/956205931.db2.gz JIJWCVGGVPXOSX-GARJFASQSA-N -2 3 352.478 1.218 20 0 FDADHL COC(=O)C([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)=C(C)[O-] ZINC001197547569 972296979 /nfs/dbraw/zinc/29/69/79/972296979.db2.gz XWVOFXUKOVZJIU-LLVKDONJSA-N -2 3 354.211 1.543 20 0 FDADHL Cc1ccc(CSc2nc(NC(=O)[C@H]3CC(C(=O)[O-])=NO3)n[n-]2)cc1 ZINC001594362720 958464755 /nfs/dbraw/zinc/46/47/55/958464755.db2.gz DZPFHIJRCGXCQC-LLVKDONJSA-N -2 3 361.383 1.573 20 0 FDADHL COCCNC(=S)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001197859358 972487279 /nfs/dbraw/zinc/48/72/79/972487279.db2.gz UPKNNRQWTCRBTI-UHFFFAOYSA-N -2 3 356.425 1.725 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(C)C ZINC001259222619 960686428 /nfs/dbraw/zinc/68/64/28/960686428.db2.gz ZCBNEAOZQBGTHU-NSHDSACASA-N -2 3 367.782 1.653 20 0 FDADHL CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCCCP(=O)([O-])[O-])C1CC1 ZINC001183683090 963220734 /nfs/dbraw/zinc/22/07/34/963220734.db2.gz SIVCJJQXIMASAC-LBPRGKRZSA-N -2 3 364.379 1.754 20 0 FDADHL Cc1nc(C(=O)NCCCCP(=O)([O-])[O-])sc1Br ZINC001184903458 963747412 /nfs/dbraw/zinc/74/74/12/963747412.db2.gz JKSHHEUORSKFPM-UHFFFAOYSA-N -2 3 357.166 1.902 20 0 FDADHL O=S(=O)([N-]c1cc(-c2ccccn2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565665 963978544 /nfs/dbraw/zinc/97/85/44/963978544.db2.gz BBCSFWBGKVMMKX-UHFFFAOYSA-N -2 3 369.366 1.718 20 0 FDADHL O=S(=O)([N-]c1cc(-c2ccccn2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565665 963978547 /nfs/dbraw/zinc/97/85/47/963978547.db2.gz BBCSFWBGKVMMKX-UHFFFAOYSA-N -2 3 369.366 1.718 20 0 FDADHL O=S(=O)([N-]c1cncc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568065 963980670 /nfs/dbraw/zinc/98/06/70/963980670.db2.gz LFTUMPWGEFKPLG-UHFFFAOYSA-N -2 3 371.426 1.663 20 0 FDADHL CC(=O)Nc1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185568837 963982170 /nfs/dbraw/zinc/98/21/70/963982170.db2.gz YYKKSQLKYXZFGR-UHFFFAOYSA-N -2 3 359.371 1.021 20 0 FDADHL Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185572282 963984625 /nfs/dbraw/zinc/98/46/25/963984625.db2.gz DTMQPCLEHABPHH-UHFFFAOYSA-N -2 3 373.373 1.763 20 0 FDADHL Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572282 963984630 /nfs/dbraw/zinc/98/46/30/963984630.db2.gz DTMQPCLEHABPHH-UHFFFAOYSA-N -2 3 373.373 1.763 20 0 FDADHL O=S(=O)([N-]c1cc2n(n1)CC1(CC1)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001185574050 963985691 /nfs/dbraw/zinc/98/56/91/963985691.db2.gz SSQNCRNXTXQNOV-UHFFFAOYSA-N -2 3 373.398 1.037 20 0 FDADHL O=S(=O)([N-]c1cc2n(n1)CC1(CC1)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001185574050 963985698 /nfs/dbraw/zinc/98/56/98/963985698.db2.gz SSQNCRNXTXQNOV-UHFFFAOYSA-N -2 3 373.398 1.037 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])C1(Cc2ccccn2)CCOCC1 ZINC001178155766 964117773 /nfs/dbraw/zinc/11/77/73/964117773.db2.gz JJUGFTSFCOBBLS-UHFFFAOYSA-N -2 3 356.359 1.495 20 0 FDADHL O=C(OCc1ccccc1)[C@@H]1C[C@]1(F)C(=O)NCCCCP(=O)([O-])[O-] ZINC001178873242 964511760 /nfs/dbraw/zinc/51/17/60/964511760.db2.gz KAELPZCLEZMLNH-XJKSGUPXSA-N -2 3 373.317 1.532 20 0 FDADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001188013959 965973916 /nfs/dbraw/zinc/97/39/16/965973916.db2.gz HANHKYGWLXUHFG-UHFFFAOYSA-N -2 3 352.416 1.158 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)COC2)ccc1Cl ZINC001188343227 966222533 /nfs/dbraw/zinc/22/25/33/966222533.db2.gz LYMNUQAQIHZUTR-UHFFFAOYSA-N -2 3 359.709 1.648 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)c(F)cc1F ZINC000776597214 967350011 /nfs/dbraw/zinc/35/00/11/967350011.db2.gz AWAKFSDDXLUVRU-GJZGRUSLSA-N -2 3 371.361 1.738 20 0 FDADHL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)S1 ZINC001190328285 967754507 /nfs/dbraw/zinc/75/45/07/967754507.db2.gz LPMCKGIDLGOXRZ-QMMMGPOBSA-N -2 3 358.294 1.432 20 0 FDADHL Cc1cnc2c(cccc2S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001191204139 968330516 /nfs/dbraw/zinc/33/05/16/968330516.db2.gz BJVPRTBCMROSAJ-UHFFFAOYSA-N -2 3 358.356 1.779 20 0 FDADHL CCOc1ccc(C)cc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001191844261 968815057 /nfs/dbraw/zinc/81/50/57/968815057.db2.gz ZKHFGHZBPCRNNM-UHFFFAOYSA-N -2 3 351.361 1.630 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc[nH]c2=O)c(Cl)cc1Cl ZINC001192408208 969119347 /nfs/dbraw/zinc/11/93/47/969119347.db2.gz ZMJQCADWCDSRNU-UHFFFAOYSA-N -2 3 364.166 1.988 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CC3)cc1 ZINC001192727074 969245413 /nfs/dbraw/zinc/24/54/13/969245413.db2.gz NMHMWHMVPVUGQR-INIZCTEOSA-N -2 3 363.391 1.930 20 0 FDADHL Cc1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)nn1 ZINC000903408799 969577129 /nfs/dbraw/zinc/57/71/29/969577129.db2.gz NIJDPDTYDCPHBM-VXGBXAGGSA-N -2 3 360.336 1.190 20 0 FDADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)c1 ZINC001193436227 969683043 /nfs/dbraw/zinc/68/30/43/969683043.db2.gz FTACNUKKOFAHDM-UHFFFAOYSA-N -2 3 364.379 1.387 20 0 FDADHL COc1nc(C(=O)NCCCCP(=O)([O-])[O-])ccc1Br ZINC001195046140 970636468 /nfs/dbraw/zinc/63/64/68/970636468.db2.gz HXQLOFLZAXNMKB-UHFFFAOYSA-N -2 3 367.136 1.540 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000794762421 973827087 /nfs/dbraw/zinc/82/70/87/973827087.db2.gz SRUKLXPWKRMHFC-XJKSGUPXSA-N -2 3 373.402 1.924 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1 ZINC000794760063 973873844 /nfs/dbraw/zinc/87/38/44/973873844.db2.gz BZPPCEXMXWYLDT-UHFFFAOYSA-N -2 3 373.402 1.926 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c(F)cc1F ZINC000794837429 974278151 /nfs/dbraw/zinc/27/81/51/974278151.db2.gz GFGOCRSWFYHPQO-UHFFFAOYSA-N -2 3 367.333 1.789 20 0 FDADHL CC(C)[C@H](NC(=O)COC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC001591878853 976235402 /nfs/dbraw/zinc/23/54/02/976235402.db2.gz QHIDNJHRROJGSU-LBPRGKRZSA-N -2 3 374.187 1.537 20 0 FDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001592471245 978230814 /nfs/dbraw/zinc/23/08/14/978230814.db2.gz WWOIGCPDHNEFBY-ZETCQYMHSA-N -3 3 367.782 1.957 20 0 FDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776617834 978760266 /nfs/dbraw/zinc/76/02/66/978760266.db2.gz ZWYGUZQALSOHOO-SKDRFNHKSA-N -2 3 361.391 1.780 20 0 FDADHL COc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cnc1Cl ZINC000776535379 978984564 /nfs/dbraw/zinc/98/45/64/978984564.db2.gz CORNVULRAHSUKF-LURJTMIESA-N -2 3 362.713 1.428 20 0 FDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776541114 978997931 /nfs/dbraw/zinc/99/79/31/978997931.db2.gz XYTLXRDVIALCMZ-OIBJUYFYSA-N -2 3 369.226 1.547 20 0 FDADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776541615 979027350 /nfs/dbraw/zinc/02/73/50/979027350.db2.gz FAJKNCGORSIEKW-JTQLQIEISA-N -2 3 365.194 1.956 20 0 FDADHL C[C@@](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)(C(=O)[O-])c1ccccc1 ZINC001592682688 979106050 /nfs/dbraw/zinc/10/60/50/979106050.db2.gz PLCUWIQOBCNYAR-IBGZPJMESA-N -2 3 367.361 1.734 20 0 FDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1(CC)CC ZINC000833660157 979216598 /nfs/dbraw/zinc/21/65/98/979216598.db2.gz MKDIXPSXISSFBN-WDEREUQCSA-N -2 3 359.448 1.678 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592723373 979231810 /nfs/dbraw/zinc/23/18/10/979231810.db2.gz WSKKIVLFTFMVMB-AWEZNQCLSA-N -3 3 370.408 1.162 20 0 FDADHL C[C@H](CO[N-]C(=O)CCCn1ccc(C(=O)[O-])n1)NC(=O)OC(C)(C)C ZINC001592780535 979410240 /nfs/dbraw/zinc/41/02/40/979410240.db2.gz HKJYBPIOJCRFTR-LLVKDONJSA-N -2 3 370.406 1.323 20 0 FDADHL C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592781113 979413595 /nfs/dbraw/zinc/41/35/95/979413595.db2.gz RZLPKLNCJLYOKJ-ZETCQYMHSA-N -2 3 361.326 1.132 20 0 FDADHL COC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)[O-] ZINC000851606082 979530786 /nfs/dbraw/zinc/53/07/86/979530786.db2.gz PZMJKZPLYURLIX-VIFPVBQESA-N -2 3 352.131 1.757 20 0 FDADHL C[C@H](Cc1cccnc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592898770 979810489 /nfs/dbraw/zinc/81/04/89/979810489.db2.gz XJMVUJDJURYCEV-SECBINFHSA-N -2 3 356.350 1.968 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC000864501329 979937012 /nfs/dbraw/zinc/93/70/12/979937012.db2.gz VSQKOEVCNLWQFA-KNVOCYPGSA-N -2 3 354.247 1.961 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)(F)F ZINC000903511390 980965762 /nfs/dbraw/zinc/96/57/62/980965762.db2.gz UJJDQOUSGBRHDU-ZETCQYMHSA-N -2 3 373.378 1.146 20 0 FDADHL CCC[C@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001595566104 981458941 /nfs/dbraw/zinc/45/89/41/981458941.db2.gz MELRIKLPINTZDR-JTQLQIEISA-N -2 3 354.226 1.104 20 0 FDADHL CCOC(=O)N1CCC[C@@H]([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001596652001 984686141 /nfs/dbraw/zinc/68/61/41/984686141.db2.gz UUCHCPCBQYBHHH-WDEREUQCSA-N -2 3 374.415 1.513 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(=O)[O-] ZINC001599902546 984867155 /nfs/dbraw/zinc/86/71/55/984867155.db2.gz DFCXMFQFNDKUQE-BYPYZUCNSA-N -3 3 370.152 1.038 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001596723970 984973718 /nfs/dbraw/zinc/97/37/18/984973718.db2.gz UZCZLMINMXNTFC-MRXNPFEDSA-N -2 3 373.402 1.924 20 0 FDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)[C@H]1n1cccn1 ZINC001596836321 985481174 /nfs/dbraw/zinc/48/11/74/985481174.db2.gz BODBJWLSHWESTP-DMDPSCGWSA-N -2 3 369.399 1.180 20 0 FDADHL C[C@H](C(=O)N1CCc2ccccc21)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001589369421 986414274 /nfs/dbraw/zinc/41/42/74/986414274.db2.gz XUTANSQEVDZVCL-QGFHVWJJSA-N -2 3 372.421 1.462 20 0 FDADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001589461125 986908762 /nfs/dbraw/zinc/90/87/62/986908762.db2.gz AEKIXWVFFPREPZ-IINYFYTJSA-N -2 3 352.354 1.454 20 0 FDADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001589461125 986908768 /nfs/dbraw/zinc/90/87/68/986908768.db2.gz AEKIXWVFFPREPZ-IINYFYTJSA-N -2 3 352.354 1.454 20 0 FDADHL CC(C)(C)Nc1cc(F)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1N ZINC001589839624 988326571 /nfs/dbraw/zinc/32/65/71/988326571.db2.gz ITPGUHFMNXYVEA-UHFFFAOYSA-N -2 3 369.365 1.617 20 0 FDADHL CCc1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c1[O-] ZINC001597576781 988369549 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369.418 1.657 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)Cc1c(C)noc1C ZINC000579233125 550850383 /nfs/dbraw/zinc/85/03/83/550850383.db2.gz XMLOGMDSHOPYDI-SSDOTTSWSA-N -2 3 374.440 1.969 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@H](CCC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000579671251 550897706 /nfs/dbraw/zinc/89/77/06/550897706.db2.gz NODUCZXYYREXIH-CYBMUJFWSA-N -2 3 365.411 1.298 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000581000069 551041647 /nfs/dbraw/zinc/04/16/47/551041647.db2.gz IDSIEINWNWPYRO-WCBMZHEXSA-N -2 3 361.803 1.658 20 0 FDADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1 ZINC000581282210 551071485 /nfs/dbraw/zinc/07/14/85/551071485.db2.gz DBQWCKPGPMWVSW-UHFFFAOYSA-N -2 3 359.367 1.090 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)cnc2n1 ZINC000581348828 551078774 /nfs/dbraw/zinc/07/87/74/551078774.db2.gz LIAKVYDTJZEFSG-UHFFFAOYSA-N -2 3 354.370 1.487 20 0 FDADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(c3n[nH]c(=O)[n-]3)CC1)c2=O ZINC000581348828 551078776 /nfs/dbraw/zinc/07/87/76/551078776.db2.gz LIAKVYDTJZEFSG-UHFFFAOYSA-N -2 3 354.370 1.487 20 0 FDADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000582109542 551176766 /nfs/dbraw/zinc/17/67/66/551176766.db2.gz XWDDFBONBCHDTD-UHFFFAOYSA-N -2 3 360.342 1.013 20 0 FDADHL COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000582484195 551230435 /nfs/dbraw/zinc/23/04/35/551230435.db2.gz FICCGOZYTCVRGJ-VIFPVBQESA-N -2 3 356.425 1.759 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccco1)Cc1cc(F)c(F)c(F)c1 ZINC000582762180 551263618 /nfs/dbraw/zinc/26/36/18/551263618.db2.gz BGLVAIIEONCKAP-VIFPVBQESA-N -2 3 363.313 1.919 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c[n-]1 ZINC000585730569 551589376 /nfs/dbraw/zinc/58/93/76/551589376.db2.gz YZPMIELQTIRELU-UHFFFAOYSA-N -2 3 355.372 1.404 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)[n-]1 ZINC000585730569 551589378 /nfs/dbraw/zinc/58/93/78/551589378.db2.gz YZPMIELQTIRELU-UHFFFAOYSA-N -2 3 355.372 1.404 20 0 FDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CC2(OC)CCOCC2)c([O-])c1 ZINC000593203010 552072197 /nfs/dbraw/zinc/07/21/97/552072197.db2.gz CXQSKVNNANUKMP-UHFFFAOYSA-N -2 3 373.427 1.506 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000593271740 552079840 /nfs/dbraw/zinc/07/98/40/552079840.db2.gz BZPBETXIOWSBAJ-SNVBAGLBSA-N -2 3 357.409 1.504 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cn(CC3CC3)c(CC)n2)c[n-]1 ZINC000596041955 552648656 /nfs/dbraw/zinc/64/86/56/552648656.db2.gz ORCYZIHNJCYYDS-UHFFFAOYSA-N -2 3 367.431 1.556 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cn(CC3CC3)c(CC)n2)[n-]1 ZINC000596041955 552648657 /nfs/dbraw/zinc/64/86/57/552648657.db2.gz ORCYZIHNJCYYDS-UHFFFAOYSA-N -2 3 367.431 1.556 20 0 FDADHL COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000599616084 553103878 /nfs/dbraw/zinc/10/38/78/553103878.db2.gz DVGSHFLOMQBMNZ-PSASIEDQSA-N -2 3 368.411 1.351 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c[n-]1 ZINC000618907085 555694070 /nfs/dbraw/zinc/69/40/70/555694070.db2.gz RITPHAIXODYGTD-UHFFFAOYSA-N -2 3 369.399 1.713 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)[n-]1 ZINC000618907085 555694072 /nfs/dbraw/zinc/69/40/72/555694072.db2.gz RITPHAIXODYGTD-UHFFFAOYSA-N -2 3 369.399 1.713 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000629296507 557755427 /nfs/dbraw/zinc/75/54/27/557755427.db2.gz NMADQEFPKXAGIB-ZETCQYMHSA-N -2 3 354.197 1.896 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC000629292256 557754027 /nfs/dbraw/zinc/75/40/27/557754027.db2.gz FBWNHBIXJGLIRQ-LDWIPMOCSA-N -2 3 370.196 1.009 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)c(F)c1F ZINC000629296217 557755449 /nfs/dbraw/zinc/75/54/49/557755449.db2.gz QVRBCYDYOPZWOA-NSHDSACASA-N -2 3 363.382 1.821 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629297053 557755794 /nfs/dbraw/zinc/75/57/94/557755794.db2.gz NJZPLNMQEDYGOM-VIFPVBQESA-N -2 3 370.196 1.275 20 0 FDADHL COc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c1F ZINC000629338915 557768790 /nfs/dbraw/zinc/76/87/90/557768790.db2.gz BXPXUZQJQADOQB-QWRGUYRKSA-N -2 3 361.391 1.383 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCOC1 ZINC000630431352 557909081 /nfs/dbraw/zinc/90/90/81/557909081.db2.gz DEUTUEIPJCLFOC-ZDUSSCGKSA-N -2 3 351.783 1.639 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000630422432 557908106 /nfs/dbraw/zinc/90/81/06/557908106.db2.gz LXCFFUMYWVPTCT-NXEZZACHSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630424227 557908243 /nfs/dbraw/zinc/90/82/43/557908243.db2.gz VOCOYCUMUGGYSN-ONGXEEELSA-N -2 3 353.318 1.616 20 0 FDADHL CC(C)[C@H](C[N-]S(=O)(=O)Cc1ncsc1Br)C(=O)[O-] ZINC000630445774 557910295 /nfs/dbraw/zinc/91/02/95/557910295.db2.gz KXRSAWNXUNJIGC-ZETCQYMHSA-N -2 3 371.278 1.682 20 0 FDADHL O=C([O-])C[N-]S(=O)(=O)c1ccc(-c2ccc3c(c2)CCOC3)s1 ZINC000630575924 557920268 /nfs/dbraw/zinc/92/02/68/557920268.db2.gz VFNFXWBZPQQXHL-UHFFFAOYSA-N -2 3 353.421 1.851 20 0 FDADHL CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc([O-])c(F)cc2F)CCOC1 ZINC000634793644 558529572 /nfs/dbraw/zinc/52/95/72/558529572.db2.gz UFSIHFNULJGLIA-CQSZACIVSA-N -2 3 351.371 1.996 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736634997 598948325 /nfs/dbraw/zinc/94/83/25/598948325.db2.gz PEVHAUHOUGOPBJ-LBPRGKRZSA-N -2 3 367.431 1.576 20 0 FDADHL Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737416060 598976780 /nfs/dbraw/zinc/97/67/80/598976780.db2.gz WMXGVPPIDCWTIM-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737416060 598976782 /nfs/dbraw/zinc/97/67/82/598976782.db2.gz WMXGVPPIDCWTIM-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735460641 599302298 /nfs/dbraw/zinc/30/22/98/599302298.db2.gz KYMBEUYKFFSCKY-UHFFFAOYSA-N -2 3 373.398 1.045 20 0 FDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825281871 607777391 /nfs/dbraw/zinc/77/73/91/607777391.db2.gz LMOCKMJHGIGLRB-UHFFFAOYSA-N -2 3 369.451 1.072 20 0 FDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825281871 607777392 /nfs/dbraw/zinc/77/73/92/607777392.db2.gz LMOCKMJHGIGLRB-UHFFFAOYSA-N -2 3 369.451 1.072 20 0 FDADHL O=C([O-])CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000485526899 597023115 /nfs/dbraw/zinc/02/31/15/597023115.db2.gz BWLDTQORWBAIFM-UHFFFAOYSA-N -2 3 352.343 1.441 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])oc1C ZINC000261612850 597143602 /nfs/dbraw/zinc/14/36/02/597143602.db2.gz AJTPWVYRJIFSHQ-CYBMUJFWSA-N -2 3 367.379 1.349 20 0 FDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000262405198 598226196 /nfs/dbraw/zinc/22/61/96/598226196.db2.gz KPFHFNIXLNBWMB-UHFFFAOYSA-N -2 3 370.196 1.740 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1C ZINC000737482238 598421055 /nfs/dbraw/zinc/42/10/55/598421055.db2.gz FVFPBNRMJKSLAG-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1C ZINC000737482238 598421057 /nfs/dbraw/zinc/42/10/57/598421057.db2.gz FVFPBNRMJKSLAG-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CCCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736501890 598437556 /nfs/dbraw/zinc/43/75/56/598437556.db2.gz HUGVXCIGRSGEOB-UHFFFAOYSA-N -2 3 367.822 1.927 20 0 FDADHL CCCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736501890 598437558 /nfs/dbraw/zinc/43/75/58/598437558.db2.gz HUGVXCIGRSGEOB-UHFFFAOYSA-N -2 3 367.822 1.927 20 0 FDADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059091 598750458 /nfs/dbraw/zinc/75/04/58/598750458.db2.gz QALGCTDITLAPHJ-GFCCVEGCSA-N -2 3 371.422 1.550 20 0 FDADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059091 598750459 /nfs/dbraw/zinc/75/04/59/598750459.db2.gz QALGCTDITLAPHJ-GFCCVEGCSA-N -2 3 371.422 1.550 20 0 FDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737425606 598785333 /nfs/dbraw/zinc/78/53/33/598785333.db2.gz BLDOODNDBWSBLG-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737425606 598785334 /nfs/dbraw/zinc/78/53/34/598785334.db2.gz BLDOODNDBWSBLG-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000735906704 599302322 /nfs/dbraw/zinc/30/23/22/599302322.db2.gz UBBGEZZHACQNOO-GFCCVEGCSA-N -2 3 367.431 1.575 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000822223675 599307385 /nfs/dbraw/zinc/30/73/85/599307385.db2.gz GLOPQOPUEHJHKS-UHFFFAOYSA-N -2 3 359.415 1.582 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735551294 599615370 /nfs/dbraw/zinc/61/53/70/599615370.db2.gz QMMFYLRUSJGEHO-SECBINFHSA-N -2 3 363.424 1.537 20 0 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FDADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N2CCCC2)o1 ZINC000833749510 605201275 /nfs/dbraw/zinc/20/12/75/605201275.db2.gz USTPOTHAUGHPBJ-CYBMUJFWSA-N -2 3 368.411 1.995 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c([O-])c1 ZINC000830217588 605364483 /nfs/dbraw/zinc/36/44/83/605364483.db2.gz ZZMYXXOOMMUTJU-STQMWFEESA-N -2 3 363.414 1.468 20 0 FDADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCC1 ZINC000834155979 605409932 /nfs/dbraw/zinc/40/99/32/605409932.db2.gz SNYCPMBMZWYIKJ-UHFFFAOYSA-N -2 3 354.215 1.857 20 0 FDADHL CN(CCC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000828306073 605494714 /nfs/dbraw/zinc/49/47/14/605494714.db2.gz OWQSWBTWWKJGLX-UHFFFAOYSA-N -2 3 369.212 1.866 20 0 FDADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)C1CC1 ZINC000834149453 605803486 /nfs/dbraw/zinc/80/34/86/605803486.db2.gz GMVQPVWLTVXFHO-SECBINFHSA-N -2 3 364.221 1.169 20 0 FDADHL O=C(COC(=O)C[C@@H]1CSCCN1C(=O)[O-])[N-]C(=O)c1cccs1 ZINC000831507733 605822682 /nfs/dbraw/zinc/82/26/82/605822682.db2.gz PXLZESZIVVPDRD-SECBINFHSA-N -2 3 372.424 1.033 20 0 FDADHL COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cc(OC)c1[O-] ZINC000833886030 605951481 /nfs/dbraw/zinc/95/14/81/605951481.db2.gz QZQGBHRYDWMTNN-PWSUYJOCSA-N -2 3 352.387 1.918 20 0 FDADHL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000833826970 606074301 /nfs/dbraw/zinc/07/43/01/606074301.db2.gz UTIXCSKVQDQYJB-KSSFIOAISA-N -2 3 363.414 1.455 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820570485 606465832 /nfs/dbraw/zinc/46/58/32/606465832.db2.gz KRELDWZDBQWTOT-SECBINFHSA-N -2 3 363.424 1.749 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820570485 606465833 /nfs/dbraw/zinc/46/58/33/606465833.db2.gz KRELDWZDBQWTOT-SECBINFHSA-N -2 3 363.424 1.749 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000822284298 606758875 /nfs/dbraw/zinc/75/88/75/606758875.db2.gz NVKYOGUKXSOHEL-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000822284298 606758876 /nfs/dbraw/zinc/75/88/76/606758876.db2.gz NVKYOGUKXSOHEL-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000821589424 606820420 /nfs/dbraw/zinc/82/04/20/606820420.db2.gz MXMSEDDCDGMOMA-UHFFFAOYSA-N -2 3 363.378 1.268 20 0 FDADHL O=c1[nH]cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589165 606867126 /nfs/dbraw/zinc/86/71/26/606867126.db2.gz QSBFAGNFXYITPV-UHFFFAOYSA-N -2 3 354.298 1.046 20 0 FDADHL CC(C)C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000820032030 606895082 /nfs/dbraw/zinc/89/50/82/606895082.db2.gz KCKXVLTTYVIOKM-UHFFFAOYSA-N -2 3 357.386 1.859 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823588745 606980795 /nfs/dbraw/zinc/98/07/95/606980795.db2.gz AUWMQUHEFQKHKM-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823588745 606980797 /nfs/dbraw/zinc/98/07/97/606980797.db2.gz AUWMQUHEFQKHKM-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000822223939 606980844 /nfs/dbraw/zinc/98/08/44/606980844.db2.gz PYLNAWBRFSPTOI-UHFFFAOYSA-N -2 3 364.412 1.136 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccsc1C(N)=O ZINC000822223939 606980845 /nfs/dbraw/zinc/98/08/45/606980845.db2.gz PYLNAWBRFSPTOI-UHFFFAOYSA-N -2 3 364.412 1.136 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000821028030 607095722 /nfs/dbraw/zinc/09/57/22/607095722.db2.gz RWPPTLGOSNSGKC-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000821028030 607095724 /nfs/dbraw/zinc/09/57/24/607095724.db2.gz RWPPTLGOSNSGKC-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n[nH]c1C1CC1 ZINC000822152689 607152789 /nfs/dbraw/zinc/15/27/89/607152789.db2.gz IQUUUSLGXPBORR-UHFFFAOYSA-N -2 3 359.415 1.885 20 0 FDADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825242281 607806373 /nfs/dbraw/zinc/80/63/73/607806373.db2.gz NFCMQFPHFVRQDL-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825242281 607806374 /nfs/dbraw/zinc/80/63/74/607806374.db2.gz NFCMQFPHFVRQDL-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cccc1-c1nn[n-]n1 ZINC000826242697 607846383 /nfs/dbraw/zinc/84/63/83/607846383.db2.gz BGDPVQUEQSETJO-UHFFFAOYSA-N -2 3 365.806 1.607 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824385637 607984807 /nfs/dbraw/zinc/98/48/07/607984807.db2.gz YAWGXXAZNLBPJN-NSHDSACASA-N -2 3 372.410 1.260 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824385637 607984808 /nfs/dbraw/zinc/98/48/08/607984808.db2.gz YAWGXXAZNLBPJN-NSHDSACASA-N -2 3 372.410 1.260 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000826272521 608476396 /nfs/dbraw/zinc/47/63/96/608476396.db2.gz OEMWJHZFNIMAKJ-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000826272521 608476397 /nfs/dbraw/zinc/47/63/97/608476397.db2.gz OEMWJHZFNIMAKJ-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)nc1C ZINC000825805048 608491483 /nfs/dbraw/zinc/49/14/83/608491483.db2.gz PRDYHGSKDWXVGK-UHFFFAOYSA-N -2 3 351.367 1.331 20 0 FDADHL O=C([O-])[C@@H](CSCCOc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000277219321 674890640 /nfs/dbraw/zinc/89/06/40/674890640.db2.gz HQVGRPXHXGFCCD-CYBMUJFWSA-N -2 3 371.436 1.823 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1cccc(Br)c1)NC1CCCC1 ZINC000049419582 671092767 /nfs/dbraw/zinc/09/27/67/671092767.db2.gz DFFOJPZKGFZFND-UHFFFAOYSA-N -2 3 362.249 1.884 20 0 FDADHL Cc1cc(Br)cc(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)c1 ZINC000188443007 672294351 /nfs/dbraw/zinc/29/43/51/672294351.db2.gz SABNQCRORWDUBX-UHFFFAOYSA-N -2 3 373.232 1.114 20 0 FDADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285013456 675782336 /nfs/dbraw/zinc/78/23/36/675782336.db2.gz HOWZIRFCDMHDQK-QMMMGPOBSA-N -2 3 361.725 1.473 20 0 FDADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000326869306 676586270 /nfs/dbraw/zinc/58/62/70/676586270.db2.gz YHLKMGARFPCZTF-UHFFFAOYSA-N -2 3 365.363 1.819 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOC1 ZINC000376671850 678357708 /nfs/dbraw/zinc/35/77/08/678357708.db2.gz KDSFBJWVHPXVSC-NSHDSACASA-N -2 3 373.280 1.246 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc2c1OCCO2 ZINC000377537437 678557129 /nfs/dbraw/zinc/55/71/29/678557129.db2.gz KKMXQGZLMSSTQJ-UHFFFAOYSA-N -2 3 359.367 1.439 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000430985753 681103180 /nfs/dbraw/zinc/10/31/80/681103180.db2.gz YBIHCTCEGIWTPJ-UHFFFAOYSA-N -2 3 352.368 1.697 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1C(=O)[O-] ZINC000436477918 681697226 /nfs/dbraw/zinc/69/72/26/681697226.db2.gz NLKRCFXTIBLRLD-UHFFFAOYSA-N -3 3 368.367 1.499 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000436479175 681697634 /nfs/dbraw/zinc/69/76/34/681697634.db2.gz SXHKBIWACVVJOM-UHFFFAOYSA-N -2 3 367.379 1.997 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(-c4cccs4)[nH]n3)ccc21 ZINC000479257362 686008452 /nfs/dbraw/zinc/00/84/52/686008452.db2.gz MXZGLAGICZCWMY-UHFFFAOYSA-N -2 3 374.403 1.823 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(Cl)s3)nc2n1 ZINC000515249972 689833701 /nfs/dbraw/zinc/83/37/01/689833701.db2.gz TXLPSQDJBXMPAV-UHFFFAOYSA-N -2 3 359.820 1.496 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000517556648 690074549 /nfs/dbraw/zinc/07/45/49/690074549.db2.gz MRKBBCZPGRBKGP-KWQFWETISA-N -2 3 368.333 1.259 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2(C(=O)[O-])CCC2)cc1OC ZINC000519861479 690281346 /nfs/dbraw/zinc/28/13/46/690281346.db2.gz KLVHLZSUDULYNK-UHFFFAOYSA-N -2 3 371.415 1.586 20 0 FDADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000656181963 774077728 /nfs/dbraw/zinc/07/77/28/774077728.db2.gz KRPOFPBCLUVIHE-UONOGXRCSA-N -2 3 365.411 1.342 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])[C@@H]1CCOC1 ZINC000656618289 776996517 /nfs/dbraw/zinc/99/65/17/776996517.db2.gz CFJRGRNVCRODQV-NOZJJQNGSA-N -2 3 363.819 1.831 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1cccc(OC)c1 ZINC000656720055 777373914 /nfs/dbraw/zinc/37/39/14/777373914.db2.gz MDNDLBQAWGPCRT-CQSZACIVSA-N -2 3 369.395 1.961 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)nc1C ZINC000663293753 806353772 /nfs/dbraw/zinc/35/37/72/806353772.db2.gz LOALDVRVKNJBPF-SECBINFHSA-N -2 3 357.354 1.533 20 0 FDADHL COc1ccc(OCC[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000663421487 806986686 /nfs/dbraw/zinc/98/66/86/806986686.db2.gz QPMCUVKDZDCMSO-UHFFFAOYSA-N -2 3 355.368 1.652 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c(OC)c1 ZINC000663422797 806990876 /nfs/dbraw/zinc/99/08/76/806990876.db2.gz MTQQCZVIJRQNOZ-UHFFFAOYSA-N -2 3 369.395 1.824 20 0 FDADHL O=c1nc(CC[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)[n-]o1 ZINC001211702549 808715229 /nfs/dbraw/zinc/71/52/29/808715229.db2.gz VCHABTHIKJZMLH-UHFFFAOYSA-N -2 3 352.397 1.007 20 0 FDADHL COCCN(C)c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cn1 ZINC000504723181 815321804 /nfs/dbraw/zinc/32/18/04/815321804.db2.gz ZAKCGDHCCFOJAL-XQRVVYSFSA-N -2 3 358.398 1.766 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425308126 815974119 /nfs/dbraw/zinc/97/41/19/815974119.db2.gz UXYGJUMSRDUEIO-NSHDSACASA-N -2 3 372.385 1.089 20 0 FDADHL O=C(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc([O-])cc1 ZINC000436934163 816800459 /nfs/dbraw/zinc/80/04/59/816800459.db2.gz FYAFETXLMGMXHY-UHFFFAOYSA-N -2 3 354.362 1.265 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000906005735 852505168 /nfs/dbraw/zinc/50/51/68/852505168.db2.gz SNVRVZALUNZOGH-LURJTMIESA-N -2 3 374.303 1.914 20 0 FDADHL CSC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000906006125 852505513 /nfs/dbraw/zinc/50/55/13/852505513.db2.gz XCUWSVXCHCUIKH-MRVPVSSYSA-N -2 3 372.237 1.683 20 0 FDADHL COc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000910179476 856946416 /nfs/dbraw/zinc/94/64/16/856946416.db2.gz CQKYGYSAZCOQOQ-UHFFFAOYSA-N -2 3 356.806 1.675 20 0 FDADHL C[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761290041 864880187 /nfs/dbraw/zinc/88/01/87/864880187.db2.gz LFZFIZKOIBLVNC-IBGZPJMESA-N -2 3 360.240 1.348 20 0 FDADHL O=C([N-]CC1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C1)C(F)(F)F ZINC000913781730 869620410 /nfs/dbraw/zinc/62/04/10/869620410.db2.gz XXALMANLKGOAGK-UHFFFAOYSA-N -2 3 371.290 1.830 20 0 FDADHL CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000916760477 882368855 /nfs/dbraw/zinc/36/88/55/882368855.db2.gz FULKTAVFTTZBIM-UHFFFAOYSA-N -2 3 363.395 1.049 20 0 FDADHL Cc1cc(C(=O)N[C@H]2CN(C)Cc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000534543213 911308821 /nfs/dbraw/zinc/30/88/21/911308821.db2.gz LNUJBBPSTNNMRD-AWEZNQCLSA-N -2 3 365.393 1.661 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])o1 ZINC000744718864 926821519 /nfs/dbraw/zinc/82/15/19/926821519.db2.gz MLXHOBMDAQZOGN-UHFFFAOYSA-N -2 3 367.379 1.495 20 0 FDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000745979850 927515950 /nfs/dbraw/zinc/51/59/50/927515950.db2.gz MDDKUGYMNVCTKD-UHFFFAOYSA-N -2 3 373.390 1.354 20 0 FDADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000787933765 932478165 /nfs/dbraw/zinc/47/81/65/932478165.db2.gz JEOCNKGHJVNWDG-VIFPVBQESA-N -2 3 368.180 1.299 20 0 FDADHL CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000811682537 941151308 /nfs/dbraw/zinc/15/13/08/941151308.db2.gz ZNYTYMDBANWPDM-PHDIDXHHSA-N -2 3 372.262 1.911 20 0 FDADHL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000816336991 942151314 /nfs/dbraw/zinc/15/13/14/942151314.db2.gz AOVSSYLEOSCALD-UHFFFAOYSA-N -2 3 363.439 1.605 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1F ZINC000817872526 943055420 /nfs/dbraw/zinc/05/54/20/943055420.db2.gz IFHUVJQAOUQXQP-MWLCHTKSSA-N -2 3 358.391 1.059 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000819088676 943414609 /nfs/dbraw/zinc/41/46/09/943414609.db2.gz HNTWMELWMGMXGE-RNCFNFMXSA-N -2 3 361.391 1.636 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)n2[n-]c(=O)c3ccc(OC)cc32)c(C)o1 ZINC000819961323 943815670 /nfs/dbraw/zinc/81/56/70/943815670.db2.gz GYFOHOLPVYVWJC-UHFFFAOYSA-N -2 3 365.367 1.249 20 0 FDADHL CCC(CC)(CNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825090416 947074968 /nfs/dbraw/zinc/07/49/68/947074968.db2.gz YKDWPZKPOVRULF-LLVKDONJSA-N -2 3 361.402 1.641 20 0 FDADHL CCC(CC)(CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825090416 947074981 /nfs/dbraw/zinc/07/49/81/947074981.db2.gz YKDWPZKPOVRULF-LLVKDONJSA-N -2 3 361.402 1.641 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC000844661495 948274967 /nfs/dbraw/zinc/27/49/67/948274967.db2.gz SWWMLBJRRQCPQO-CYBMUJFWSA-N -2 3 359.400 1.652 20 0 FDADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844800532 948393765 /nfs/dbraw/zinc/39/37/65/948393765.db2.gz KSGNZFKVLMEICD-XCBNKYQSSA-N -2 3 368.814 1.809 20 0 FDADHL CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844898487 948485950 /nfs/dbraw/zinc/48/59/50/948485950.db2.gz WESCUBQCHRRVDM-LBPRGKRZSA-N -2 3 355.384 1.055 20 0 FDADHL CSC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844898486 948486079 /nfs/dbraw/zinc/48/60/79/948486079.db2.gz WESCUBQCHRRVDM-GFCCVEGCSA-N -2 3 355.384 1.055 20 0 FDADHL O=C([O-])c1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC001595226990 949306895 /nfs/dbraw/zinc/30/68/95/949306895.db2.gz PYIONUHYVLJSDW-SOFGYWHQSA-N -2 3 370.361 1.681 20 0 FDADHL O=C([O-])CC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC001594970773 950847290 /nfs/dbraw/zinc/84/72/90/950847290.db2.gz KGXGXACVGWAFKO-SNVBAGLBSA-N -2 3 350.337 1.549 20 0 FDADHL O=C([O-])CC1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC001594970772 950847519 /nfs/dbraw/zinc/84/75/19/950847519.db2.gz KGXGXACVGWAFKO-JTQLQIEISA-N -2 3 350.337 1.549 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c1 ZINC000846773904 951593458 /nfs/dbraw/zinc/59/34/58/951593458.db2.gz RWCRNVLPYDXENK-UHFFFAOYSA-N -2 3 361.391 1.842 20 0 FDADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067997 951627665 /nfs/dbraw/zinc/62/76/65/951627665.db2.gz UUGNAGVOQLTWPY-QMMMGPOBSA-N -2 3 374.792 1.246 20 0 FDADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067997 951627673 /nfs/dbraw/zinc/62/76/73/951627673.db2.gz UUGNAGVOQLTWPY-QMMMGPOBSA-N -2 3 374.792 1.246 20 0 FDADHL NCc1ccc2c(n1)N(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])CCC2 ZINC001148927785 952831409 /nfs/dbraw/zinc/83/14/09/952831409.db2.gz SZLMBZABBXWYPP-UHFFFAOYSA-N -2 3 363.395 1.086 20 0 FDADHL O=C([O-])C1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCOCC1 ZINC001594872384 954365658 /nfs/dbraw/zinc/36/56/58/954365658.db2.gz SDBMCEXEYHRMGJ-UHFFFAOYSA-N -2 3 367.365 1.840 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)ccc1F ZINC001593798996 954842863 /nfs/dbraw/zinc/84/28/63/954842863.db2.gz LSBIRXHDHAMXOU-UHFFFAOYSA-N -2 3 353.331 1.079 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)COCC(=O)[O-] ZINC000844243760 955656334 /nfs/dbraw/zinc/65/63/34/955656334.db2.gz HSQOPYJPXXDWPA-UHFFFAOYSA-N -2 3 370.305 1.117 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593897116 955830184 /nfs/dbraw/zinc/83/01/84/955830184.db2.gz BVIGTNQWSGIGNA-SNVBAGLBSA-N -2 3 374.371 1.173 20 0 FDADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001327943809 957351122 /nfs/dbraw/zinc/35/11/22/957351122.db2.gz CDZXNDNBPVDQJP-LBPRGKRZSA-N -2 3 360.407 1.560 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CCCCC(=O)[O-])s1 ZINC001588665222 960445327 /nfs/dbraw/zinc/44/53/27/960445327.db2.gz CWKLTIWRKKSERY-UHFFFAOYSA-N -2 3 363.461 1.803 20 0 FDADHL Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001574318098 960804195 /nfs/dbraw/zinc/80/41/95/960804195.db2.gz LHHVCFPMIMIQOR-AWEZNQCLSA-N -2 3 356.382 1.506 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC001182682865 962393333 /nfs/dbraw/zinc/39/33/33/962393333.db2.gz FOPNFYFXPJQONY-AWEZNQCLSA-N -2 3 372.333 1.504 20 0 FDADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)N2 ZINC001184709009 963689221 /nfs/dbraw/zinc/68/92/21/963689221.db2.gz HEUCAYBUXUVKOF-OAHLLOKOSA-N -2 3 360.391 1.973 20 0 FDADHL O=S(=O)([N-]c1cnn2cccc(F)c12)c1ccc(-c2nnn[n-]2)cc1 ZINC001185574378 963985615 /nfs/dbraw/zinc/98/56/15/963985615.db2.gz UQPUJFTUUPTMLC-UHFFFAOYSA-N -2 3 359.346 1.454 20 0 FDADHL O=S(=O)([N-]c1cnn2cccc(F)c12)c1ccc(-c2nn[n-]n2)cc1 ZINC001185574378 963985623 /nfs/dbraw/zinc/98/56/23/963985623.db2.gz UQPUJFTUUPTMLC-UHFFFAOYSA-N -2 3 359.346 1.454 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC001186192953 964342488 /nfs/dbraw/zinc/34/24/88/964342488.db2.gz GNMYUQBSQOXNQG-UHFFFAOYSA-N -2 3 370.333 1.823 20 0 FDADHL CC(C)OC(=O)c1cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[n-]n1 ZINC001179076401 964703171 /nfs/dbraw/zinc/70/31/71/964703171.db2.gz YOXOKQACWLDYKG-UHFFFAOYSA-N -2 3 350.297 1.371 20 0 FDADHL COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001189854018 967358687 /nfs/dbraw/zinc/35/86/87/967358687.db2.gz RPHRYPKZIRAPEM-ZDUSSCGKSA-N -2 3 358.331 1.028 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](O)c1ccccc1 ZINC000776597668 967366686 /nfs/dbraw/zinc/36/66/86/967366686.db2.gz MWHMSWAZEZPQKU-ZIAGYGMSSA-N -2 3 357.334 1.430 20 0 FDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000776613652 967471666 /nfs/dbraw/zinc/47/16/66/967471666.db2.gz GJHSGWXARKBMAU-CABZTGNLSA-N -2 3 361.391 1.780 20 0 FDADHL O=c1oc2cc([O-])ccc2cc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190142663 967556919 /nfs/dbraw/zinc/55/69/19/967556919.db2.gz BJNJNWPWZFAHAJ-UHFFFAOYSA-N -2 3 354.290 1.973 20 0 FDADHL CCCCOC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852732980 967558837 /nfs/dbraw/zinc/55/88/37/967558837.db2.gz KIGPAMMLWFYWIB-JQWIXIFHSA-N -2 3 368.352 1.316 20 0 FDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001118510903 969666923 /nfs/dbraw/zinc/66/69/23/969666923.db2.gz GBBDSRFFKUTLKF-HNNXBMFYSA-N -2 3 358.391 1.314 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(=O)[nH]1 ZINC001193972895 969943613 /nfs/dbraw/zinc/94/36/13/969943613.db2.gz LGRIJQWWKSFTMQ-UHFFFAOYSA-N -2 3 361.738 1.782 20 0 FDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001603322687 972653857 /nfs/dbraw/zinc/65/38/57/972653857.db2.gz QDMOJTPSGSGYCN-YMTOWFKASA-N -2 3 350.337 1.404 20 0 FDADHL Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC001605132580 972799023 /nfs/dbraw/zinc/79/90/23/972799023.db2.gz RKPBWMGNFHDXOH-UHFFFAOYSA-N -2 3 356.382 1.460 20 0 FDADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CS1 ZINC000397874378 973030381 /nfs/dbraw/zinc/03/03/81/973030381.db2.gz LBAYBYQECNOTOI-NTSWFWBYSA-N -2 3 370.246 1.913 20 0 FDADHL O=C([O-])[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)Cc2ccccc21 ZINC001606038354 973139560 /nfs/dbraw/zinc/13/95/60/973139560.db2.gz SRBPCRVKKSRPMS-SNVBAGLBSA-N -2 3 369.303 1.717 20 0 FDADHL COCCn1nc(C(=O)NCCCCP(=O)([O-])[O-])cc1C(F)(F)F ZINC001199153379 973963887 /nfs/dbraw/zinc/96/38/87/973963887.db2.gz CCMZKLBHYZWCGQ-UHFFFAOYSA-N -2 3 373.268 1.236 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC001591669721 975430576 /nfs/dbraw/zinc/43/05/76/975430576.db2.gz ZPMQLSLBDJFPBD-NEPJUHHUSA-N -2 3 372.418 1.496 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2cccc(OC)c2)C(=O)[O-])s1 ZINC000681561330 976063000 /nfs/dbraw/zinc/06/30/00/976063000.db2.gz OGBBSZBGFTVEBZ-GFCCVEGCSA-N -2 3 370.452 1.688 20 0 FDADHL CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC001592163550 977055979 /nfs/dbraw/zinc/05/59/79/977055979.db2.gz RWYRVDICIUHDCX-JTQLQIEISA-N -2 3 370.456 1.455 20 0 FDADHL O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000776437859 977709500 /nfs/dbraw/zinc/70/95/00/977709500.db2.gz NTOAXNDMBPDOEQ-QMMMGPOBSA-N -2 3 365.198 1.086 20 0 FDADHL C[C@@](CC(=O)[O-])(NC(=O)c1nnc2ccccc2c1[O-])c1ccccn1 ZINC001592319764 977712341 /nfs/dbraw/zinc/71/23/41/977712341.db2.gz CXJQMEDIVDTMHO-SFHVURJKSA-N -2 3 352.350 1.850 20 0 FDADHL CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592471029 978227814 /nfs/dbraw/zinc/22/78/14/978227814.db2.gz UOIVLUFUPUEODO-QMMMGPOBSA-N -2 3 350.418 1.240 20 0 FDADHL C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592530080 978393487 /nfs/dbraw/zinc/39/34/87/978393487.db2.gz DUPQBNMVNOLGAW-MRVPVSSYSA-N -2 3 353.799 1.864 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109943416 978904472 /nfs/dbraw/zinc/90/44/72/978904472.db2.gz JNLBIBHDCVUAFS-UHFFFAOYSA-N -2 3 367.390 1.493 20 0 FDADHL O=C([O-])[C@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCOC1 ZINC000851601735 978970999 /nfs/dbraw/zinc/97/09/99/978970999.db2.gz MUKOCKOBSPCGQW-LBPRGKRZSA-N -2 3 364.142 1.901 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000776560139 979282485 /nfs/dbraw/zinc/28/24/85/979282485.db2.gz HBNJWOILIDNMBI-ZETCQYMHSA-N -2 3 350.780 1.053 20 0 FDADHL CC[C@H](O)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595330335 980565223 /nfs/dbraw/zinc/56/52/23/980565223.db2.gz RKMYHPLXXVSHDJ-LURJTMIESA-N -2 3 372.262 1.648 20 0 FDADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000903031047 980954120 /nfs/dbraw/zinc/95/41/20/980954120.db2.gz AVBOMDQAGCCFBT-QMMMGPOBSA-N -2 3 368.180 1.085 20 0 FDADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001594852984 982105423 /nfs/dbraw/zinc/10/54/23/982105423.db2.gz BMQJZBANFVYTFL-LBPRGKRZSA-N -2 3 352.771 1.110 20 0 FDADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC000826322313 982170970 /nfs/dbraw/zinc/17/09/70/982170970.db2.gz HOQBGYMDBGFXKS-UHFFFAOYSA-N -2 3 365.423 1.093 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826322637 982189665 /nfs/dbraw/zinc/18/96/65/982189665.db2.gz UZHDTYXDLOEIRI-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001588661519 983786635 /nfs/dbraw/zinc/78/66/35/983786635.db2.gz LLTQJIXXJOAOGA-LBPRGKRZSA-N -2 3 361.398 1.138 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC001588662141 983788792 /nfs/dbraw/zinc/78/87/92/983788792.db2.gz XLWFHVCMYMPFRZ-FZMZJTMJSA-N -2 3 362.382 1.516 20 0 FDADHL CCOC(=O)c1nnc([C@@H](C)NCc2ccc(O[C@H](C)C(=O)[O-])cc2)[n-]1 ZINC001596748875 985081403 /nfs/dbraw/zinc/08/14/03/985081403.db2.gz LZGUPEHMQNXIIO-GHMZBOCLSA-N -2 3 362.386 1.684 20 0 FDADHL CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC001597245116 987221776 /nfs/dbraw/zinc/22/17/76/987221776.db2.gz BPAIRGPFWUMGLJ-GFCCVEGCSA-N -2 3 354.494 1.752 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCSCCC(F)(F)F ZINC000871998913 987426916 /nfs/dbraw/zinc/42/69/16/987426916.db2.gz ZAELOYXLBOVCNF-UHFFFAOYSA-N -2 3 364.392 1.805 20 0 FDADHL CSc1ccc([O-])c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001599820006 988496172 /nfs/dbraw/zinc/49/61/72/988496172.db2.gz NJJXTKLCFRSZQQ-QGZVFWFLSA-N -2 3 366.439 1.116 20 0 FDADHL C[C@@H](CC(=O)[O-])OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001599834917 988727827 /nfs/dbraw/zinc/72/78/27/988727827.db2.gz LTGXAWYLVMBWOS-VIFPVBQESA-N -2 3 361.391 1.923 20 0 FDADHL O=C([O-])CCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000874403195 990256518 /nfs/dbraw/zinc/25/65/18/990256518.db2.gz FWJBSGAYJZRKTJ-JTQLQIEISA-N -2 3 373.331 1.843 20 0 FDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001590989465 991199053 /nfs/dbraw/zinc/19/90/53/991199053.db2.gz 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COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001598704540 995268258 /nfs/dbraw/zinc/26/82/58/995268258.db2.gz ZNFLRXKONJSMRL-LBPRGKRZSA-N -2 3 359.400 1.626 20 0 FDADHL C[C@@H](O)C1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC001593437778 995281245 /nfs/dbraw/zinc/28/12/45/995281245.db2.gz UBYZPTTYAOYRHX-RXMQYKEDSA-N -2 3 370.246 1.401 20 0 FDADHL C[C@H](Oc1ccccc1CN1CC(C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001593644141 995957193 /nfs/dbraw/zinc/95/71/93/995957193.db2.gz DDAGKJRDUZLTFQ-JTQLQIEISA-N -2 3 360.332 1.649 20 0 FDADHL COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC001598831603 996442985 /nfs/dbraw/zinc/44/29/85/996442985.db2.gz OFAFBPCBHYEGQP-SOFGYWHQSA-N -2 3 365.367 1.977 20 0 FDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001593794455 996511418 /nfs/dbraw/zinc/51/14/18/996511418.db2.gz ZMWWMOCTGKFQMI-AWEZNQCLSA-N -2 3 360.819 1.648 20 0 FDADHL COc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001599406119 997305776 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CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C(=O)[O-])c1 ZINC000547877945 542474290 /nfs/dbraw/zinc/47/42/90/542474290.db2.gz DFOJNXWSKCZRRB-UHFFFAOYSA-N -2 3 364.379 1.980 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c1 ZINC000547895686 542480717 /nfs/dbraw/zinc/48/07/17/542480717.db2.gz JDDIFDXVXAXXJU-UHFFFAOYSA-N -2 3 369.420 1.640 20 0 FDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000547897250 542480850 /nfs/dbraw/zinc/48/08/50/542480850.db2.gz WYBDLRPFLXRSFZ-VIFPVBQESA-N -2 3 358.391 1.490 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])s1 ZINC000547897742 542481013 /nfs/dbraw/zinc/48/10/13/542481013.db2.gz BCEAQYHANWYWDR-LLVKDONJSA-N -2 3 374.415 1.655 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547893878 542480024 /nfs/dbraw/zinc/48/00/24/542480024.db2.gz ZAIFHVAYLNLOTR-WFASDCNBSA-N -2 3 359.400 1.550 20 0 FDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000547941521 542494984 /nfs/dbraw/zinc/49/49/84/542494984.db2.gz SICFTNKCKNPCKX-SNVBAGLBSA-N -2 3 371.308 1.945 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c(C)o1 ZINC000548198136 542581235 /nfs/dbraw/zinc/58/12/35/542581235.db2.gz GGGCYEIHSLRFGR-LLVKDONJSA-N -2 3 359.381 1.540 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c1 ZINC000548229629 542594236 /nfs/dbraw/zinc/59/42/36/542594236.db2.gz XCEHHHJJDXGVOC-HZMBPMFUSA-N -2 3 361.441 1.847 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000548214001 542588254 /nfs/dbraw/zinc/58/82/54/542588254.db2.gz FSKSLBOTNOCMTI-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548214751 542588448 /nfs/dbraw/zinc/58/84/48/542588448.db2.gz SXMNUVNSLRSRJW-UHFFFAOYSA-N -2 3 359.400 1.552 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(C)o1 ZINC000548215772 542588492 /nfs/dbraw/zinc/58/84/92/542588492.db2.gz SAEDCVABTVKRKM-IUODEOHRSA-N -2 3 359.400 1.686 20 0 FDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000548219090 542590336 /nfs/dbraw/zinc/59/03/36/542590336.db2.gz IJFDWKRLERZZLH-LLVKDONJSA-N -2 3 361.782 1.416 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)CC(=O)[O-] ZINC000548262599 542603897 /nfs/dbraw/zinc/60/38/97/542603897.db2.gz JTVOZVARWCMSHA-SECBINFHSA-N -2 3 360.823 1.470 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548266463 542605202 /nfs/dbraw/zinc/60/52/02/542605202.db2.gz WBMXQAKCZNSSQK-NXEZZACHSA-N -2 3 356.227 1.886 20 0 FDADHL C[C@](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)(CC(=O)[O-])C(=O)[O-] ZINC000548267134 542606045 /nfs/dbraw/zinc/60/60/45/542606045.db2.gz USCQPCPHLOTIBA-GFCCVEGCSA-N -3 3 353.755 1.323 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)nc1C ZINC000548291176 542612795 /nfs/dbraw/zinc/61/27/95/542612795.db2.gz VSCSFMOGDABYGT-GXTWGEPZSA-N -2 3 371.459 1.292 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c(C(=O)[O-])c1 ZINC000548532485 542692735 /nfs/dbraw/zinc/69/27/35/542692735.db2.gz XVGXKFZLVVSVHG-UHFFFAOYSA-N -2 3 363.395 1.351 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000548536846 542694791 /nfs/dbraw/zinc/69/47/91/542694791.db2.gz WUVVHGPWBVUNHV-UHFFFAOYSA-N -2 3 374.396 1.262 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cn2cc(C)cn2)C(=O)[O-])c1 ZINC000548552842 542700908 /nfs/dbraw/zinc/70/09/08/542700908.db2.gz ZJAGRBONGFYSSZ-GFCCVEGCSA-N -2 3 373.818 1.285 20 0 FDADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548548011 542699100 /nfs/dbraw/zinc/69/91/00/542699100.db2.gz CBSOJMVAQMPFSG-SKDRFNHKSA-N -2 3 363.233 1.766 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)s1 ZINC000548993112 542819944 /nfs/dbraw/zinc/81/99/44/542819944.db2.gz ZPDZKIVHQUYODD-AMIZOPFISA-N -2 3 361.441 1.241 20 0 FDADHL O=S(=O)([N-]CCN=c1[n-]nc(C2CCOCC2)s1)c1cccs1 ZINC000549526170 542895410 /nfs/dbraw/zinc/89/54/10/542895410.db2.gz MSWWRUXAAQSZJR-UHFFFAOYSA-N -2 3 374.513 1.884 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(F)c1 ZINC000551598078 543308210 /nfs/dbraw/zinc/30/82/10/543308210.db2.gz LWIOHOSOIXEQOP-RNCFNFMXSA-N -2 3 363.407 1.769 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000087495865 172228508 /nfs/dbraw/zinc/22/85/08/172228508.db2.gz BOIGPOJKQYEXBL-SNVBAGLBSA-N -2 3 351.222 1.479 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)sc1Br ZINC000126274589 173035157 /nfs/dbraw/zinc/03/51/57/173035157.db2.gz JREYXFUDRPADPW-JTQLQIEISA-N -2 3 370.246 1.341 20 0 FDADHL CC(C)SCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000553563652 543659020 /nfs/dbraw/zinc/65/90/20/543659020.db2.gz HTMHDZNQPSIPIJ-UHFFFAOYSA-N -2 3 370.493 1.617 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)c1 ZINC000554537712 543820074 /nfs/dbraw/zinc/82/00/74/543820074.db2.gz DWAKSCKGHHTSGU-UHFFFAOYSA-N -2 3 373.402 1.924 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc2c1OCCO2)C(F)(F)F ZINC000557381788 544285715 /nfs/dbraw/zinc/28/57/15/544285715.db2.gz MRERYPPFWNKBAM-QMMMGPOBSA-N -2 3 369.317 1.389 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CCN(c3ncccn3)CC2)c1 ZINC000325041363 259049574 /nfs/dbraw/zinc/04/95/74/259049574.db2.gz MPGMGMNBYRSPFB-UHFFFAOYSA-N -2 3 368.440 1.184 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000375311476 261310154 /nfs/dbraw/zinc/31/01/54/261310154.db2.gz WVNGRBBLJYKMFC-ZWNOBZJWSA-N -2 3 374.846 1.816 20 0 FDADHL COc1cncc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000410386027 262165277 /nfs/dbraw/zinc/16/52/77/262165277.db2.gz WLYLECMJFILKSS-UHFFFAOYSA-N -2 3 371.440 1.571 20 0 FDADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242993 521930211 /nfs/dbraw/zinc/93/02/11/521930211.db2.gz XERVFEVREOEHRX-SECBINFHSA-N -2 3 351.222 1.622 20 0 FDADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1 ZINC000065833034 522898009 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0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(C3CC3)C2)c1F ZINC000185106340 536198868 /nfs/dbraw/zinc/19/88/68/536198868.db2.gz DYCQVJSPWFAEPU-PWSUYJOCSA-N -2 3 356.419 1.736 20 0 FDADHL CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000262810144 536907504 /nfs/dbraw/zinc/90/75/04/536907504.db2.gz DIZQVQCXCUBNCJ-XHDPSFHLSA-N -2 3 374.484 1.374 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000262822250 536911119 /nfs/dbraw/zinc/91/11/19/536911119.db2.gz WDVNQGPBRCZPQN-AWEZNQCLSA-N -2 3 356.444 1.606 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262895422 536932061 /nfs/dbraw/zinc/93/20/61/536932061.db2.gz ATXBHJNPGAZRQZ-SMDDNHRTSA-N -2 3 374.434 1.308 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000267227326 536963792 /nfs/dbraw/zinc/96/37/92/536963792.db2.gz IHHLTEJWVXRYAP-AWEZNQCLSA-N -2 3 366.464 1.999 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])c1 ZINC000290702113 537394285 /nfs/dbraw/zinc/39/42/85/537394285.db2.gz SJLQINYSMZGILV-LBPRGKRZSA-N -2 3 355.441 1.334 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290935138 537477403 /nfs/dbraw/zinc/47/74/03/537477403.db2.gz JSLDWPCXHBDPLU-YFKPBYRVSA-N -3 3 361.319 1.221 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275201768 537540508 /nfs/dbraw/zinc/54/05/08/537540508.db2.gz GTHNMKKMBXVSHK-XYPYZODXSA-N -2 3 373.402 1.782 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])ccc1Cl ZINC000275204157 537544106 /nfs/dbraw/zinc/54/41/06/537544106.db2.gz HBMUZNQAVHDDPS-VIFPVBQESA-N -2 3 371.745 1.513 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)CC(=O)[O-] ZINC000232107888 537585896 /nfs/dbraw/zinc/58/58/96/537585896.db2.gz IHTKINNNGUXIOP-ZETCQYMHSA-N -2 3 372.262 1.587 20 0 FDADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000314277080 537608571 /nfs/dbraw/zinc/60/85/71/537608571.db2.gz JLVQQMQAVDIBTN-SNVBAGLBSA-N -2 3 364.210 1.691 20 0 FDADHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000314277080 537608575 /nfs/dbraw/zinc/60/85/75/537608575.db2.gz JLVQQMQAVDIBTN-SNVBAGLBSA-N -2 3 364.210 1.691 20 0 FDADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2cccc3c2N=S=N3)C(=O)[O-])cn1 ZINC000322901183 537614581 /nfs/dbraw/zinc/61/45/81/537614581.db2.gz HGCRFQJSXHBPSL-SNVBAGLBSA-N -2 3 353.385 1.251 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000294109813 537659640 /nfs/dbraw/zinc/65/96/40/537659640.db2.gz CSXOWEVVFDVBOY-UHFFFAOYSA-N -2 3 353.400 1.832 20 0 FDADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n[nH]1 ZINC000285468064 537716966 /nfs/dbraw/zinc/71/69/66/537716966.db2.gz NPMQRXJSLZZYAA-RXMQYKEDSA-N -2 3 362.770 1.643 20 0 FDADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000414345366 537786432 /nfs/dbraw/zinc/78/64/32/537786432.db2.gz SSSCQCFZBUSXEW-UHFFFAOYSA-N -2 3 354.384 1.569 20 0 FDADHL C[C@@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCC[C@H]1C(=O)[O-] ZINC000432106908 538119078 /nfs/dbraw/zinc/11/90/78/538119078.db2.gz JFKKEDOIXBUTIB-XJKSGUPXSA-N -2 3 354.428 1.821 20 0 FDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)N=c3[n-]ncs3)c2)[n-]1 ZINC000432914771 538183263 /nfs/dbraw/zinc/18/32/63/538183263.db2.gz IWTUFHOLEVCEDO-UHFFFAOYSA-N -2 3 373.398 1.822 20 0 FDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)N=c3[n-]ncs3)c2)n[n-]1 ZINC000432914771 538183270 /nfs/dbraw/zinc/18/32/70/538183270.db2.gz IWTUFHOLEVCEDO-UHFFFAOYSA-N -2 3 373.398 1.822 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H](C)OC)c(F)c1 ZINC000451447721 538258692 /nfs/dbraw/zinc/25/86/92/538258692.db2.gz RVCJPGSPTFXZKC-JTQLQIEISA-N -2 3 368.452 1.291 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])cnc2c1Cl ZINC000424393900 538286997 /nfs/dbraw/zinc/28/69/97/538286997.db2.gz RZFADOPPKCECTJ-UHFFFAOYSA-N -2 3 360.823 1.470 20 0 FDADHL Cc1nc(C=Cc2cnc(-c3cnn(C)c3)nc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457146 538396790 /nfs/dbraw/zinc/39/67/90/538396790.db2.gz XPMOPKBZIDOMDA-HWKANZROSA-N -2 3 366.381 1.869 20 0 FDADHL Cn1[n-]c(=NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1OC(F)F ZINC000477089845 538589152 /nfs/dbraw/zinc/58/91/52/538589152.db2.gz LOGGPZQRPVYZDQ-UHFFFAOYSA-N -2 3 360.324 1.966 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000477528652 538649484 /nfs/dbraw/zinc/64/94/84/538649484.db2.gz STDUXCDSFMHHNQ-UHFFFAOYSA-N -2 3 361.383 1.567 20 0 FDADHL Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469352870 538789738 /nfs/dbraw/zinc/78/97/38/538789738.db2.gz ZKAKTJWNUSRYJT-UHFFFAOYSA-N -3 3 364.325 1.177 20 0 FDADHL Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469352870 538789742 /nfs/dbraw/zinc/78/97/42/538789742.db2.gz ZKAKTJWNUSRYJT-UHFFFAOYSA-N -3 3 364.325 1.177 20 0 FDADHL C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485876395 538853557 /nfs/dbraw/zinc/85/35/57/538853557.db2.gz RPMAAZHLJWFXBJ-JTQLQIEISA-N -2 3 366.370 1.829 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000561357682 545816432 /nfs/dbraw/zinc/81/64/32/545816432.db2.gz NQAHSKUANVEWEN-VIFPVBQESA-N -2 3 357.281 1.866 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000564554341 546950669 /nfs/dbraw/zinc/95/06/69/546950669.db2.gz MYGBMFIHKOYDCQ-VIFPVBQESA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H]1CCOC1 ZINC000564638159 546981803 /nfs/dbraw/zinc/98/18/03/546981803.db2.gz YMAMJGMTKOHFBZ-IMTBSYHQSA-N -2 3 359.347 1.535 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000565794424 547484841 /nfs/dbraw/zinc/48/48/41/547484841.db2.gz JSSBBOLXYRXHBC-UHFFFAOYSA-N -2 3 370.408 1.149 20 0 FDADHL CC[C@H](C)C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000566288570 547695787 /nfs/dbraw/zinc/69/57/87/547695787.db2.gz JTEUSBIHTOSUAU-SMDDNHRTSA-N -2 3 361.398 1.498 20 0 FDADHL O=C([O-])COCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000567603380 548178427 /nfs/dbraw/zinc/17/84/27/548178427.db2.gz OCCTZVUQBQKTCW-UHFFFAOYSA-N -2 3 359.734 1.321 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)c(C(=O)[O-])c2)nc1C ZINC000567793671 548260473 /nfs/dbraw/zinc/26/04/73/548260473.db2.gz AWWCNOFYWXMTCM-UHFFFAOYSA-N -2 3 353.400 1.397 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-])s1 ZINC000567811109 548269171 /nfs/dbraw/zinc/26/91/71/548269171.db2.gz SMEKJENOHYAZIO-SECBINFHSA-N -2 3 350.462 1.642 20 0 FDADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000568820727 548691616 /nfs/dbraw/zinc/69/16/16/548691616.db2.gz QBIJVRPFBASUGH-ZCFIWIBFSA-N -2 3 366.239 1.784 20 0 FDADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)N=c1nc2n([n-]1)CCCC2 ZINC000568841043 548697877 /nfs/dbraw/zinc/69/78/77/548697877.db2.gz FAFQGVCTPKGPFH-UHFFFAOYSA-N -2 3 359.340 1.771 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)s1 ZINC000569071061 548784477 /nfs/dbraw/zinc/78/44/77/548784477.db2.gz GDPYWKWNSNIOOM-UHFFFAOYSA-N -2 3 359.381 1.233 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ncc(C(=O)[O-])s1 ZINC000569605374 548979792 /nfs/dbraw/zinc/97/97/92/548979792.db2.gz LKMWSEJVUHNRKC-QMMMGPOBSA-N -2 3 370.408 1.652 20 0 FDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn(C(C)C)cn2)(C(=O)[O-])C1(C)C ZINC000570387734 549260872 /nfs/dbraw/zinc/26/08/72/549260872.db2.gz NKWRNRDXGNSOEZ-NHYWBVRUSA-N -2 3 359.448 1.401 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])c(F)c1 ZINC000570497785 549300378 /nfs/dbraw/zinc/30/03/78/549300378.db2.gz WWMMVZIXKGIDGY-CQSZACIVSA-N -2 3 369.370 1.514 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)c1csnn1 ZINC000570662727 549365513 /nfs/dbraw/zinc/36/55/13/549365513.db2.gz VSCOXFFCRIULFI-QMMMGPOBSA-N -2 3 353.425 1.765 20 0 FDADHL C[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC000570683266 549374015 /nfs/dbraw/zinc/37/40/15/549374015.db2.gz LTPDPIVLAVDARF-MWLCHTKSSA-N -2 3 358.391 1.380 20 0 FDADHL Cc1cccc(-c2nnc3n2C[C@H](C(=O)N=c2ccc([O-])n[n-]2)CC3)c1 ZINC000571740124 549747203 /nfs/dbraw/zinc/74/72/03/549747203.db2.gz LTNNSYJLFWUION-CYBMUJFWSA-N -2 3 350.382 1.950 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])s1 ZINC000572479880 549924127 /nfs/dbraw/zinc/92/41/27/549924127.db2.gz OWVFJNCTSJMEMK-JTQLQIEISA-N -2 3 350.462 1.697 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000572953731 550031336 /nfs/dbraw/zinc/03/13/36/550031336.db2.gz SSJJWYLLLDZAEG-ZANVPECISA-N -2 3 361.416 1.652 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)c1 ZINC000573377780 550124094 /nfs/dbraw/zinc/12/40/94/550124094.db2.gz VWAHJNGYRQQVHH-MNOVXSKESA-N -2 3 361.391 1.305 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000573584183 550171176 /nfs/dbraw/zinc/17/11/76/550171176.db2.gz AQIOIHXKIJZTBE-UHFFFAOYSA-N -2 3 353.400 1.609 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccsc3)cn21 ZINC000574022495 550247788 /nfs/dbraw/zinc/24/77/88/550247788.db2.gz CZSQORPLZLVGRW-ZANVPECISA-N -2 3 355.441 1.946 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C)c1nc[nH]n1 ZINC000574576372 550335977 /nfs/dbraw/zinc/33/59/77/550335977.db2.gz NJJREHODYWKNOZ-SSDOTTSWSA-N -2 3 358.445 1.901 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOC1 ZINC000575912574 550490046 /nfs/dbraw/zinc/49/00/46/550490046.db2.gz FDSZVQIHLYVMPY-GFCCVEGCSA-N -2 3 371.745 1.463 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000576585042 550565394 /nfs/dbraw/zinc/56/53/94/550565394.db2.gz XZLPUTULJSWUHN-GFCCVEGCSA-N -2 3 362.473 1.552 20 0 FDADHL CCOC(=O)CCS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000578591788 550779753 /nfs/dbraw/zinc/77/97/53/550779753.db2.gz RVQQXPGHOGSKBQ-UHFFFAOYSA-N -2 3 368.367 1.334 20 0 FDADHL O=C([O-])COCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000578635277 550785172 /nfs/dbraw/zinc/78/51/72/550785172.db2.gz MVBUVRMCVQDYLY-UHFFFAOYSA-N -2 3 372.624 1.482 20 0 FDADHL CC(C)(C)c1ncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cn1 ZINC000578986171 550822924 /nfs/dbraw/zinc/82/29/24/550822924.db2.gz MJYXLUBAJNEHHP-UHFFFAOYSA-N -2 3 356.433 1.249 20 0 FDADHL C[C@@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)[C@@H]1C(=O)[O-] ZINC000579101552 550835617 /nfs/dbraw/zinc/83/56/17/550835617.db2.gz JPYXXWSUSKRTAB-LNSDYSHSSA-N -2 3 359.382 1.067 20 0 FDADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)no1 ZINC000579588555 550889693 /nfs/dbraw/zinc/88/96/93/550889693.db2.gz BNELLMNHNFRAPV-UHFFFAOYSA-N -2 3 365.411 1.708 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c(Cl)cc1F ZINC000579789674 550909887 /nfs/dbraw/zinc/90/98/87/550909887.db2.gz VDWPKSQMSLQGFG-SNVBAGLBSA-N -3 3 367.782 1.774 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)CCC(F)(F)F)Oc1ccc(F)cc1 ZINC000580957872 551037193 /nfs/dbraw/zinc/03/71/93/551037193.db2.gz PJLOMHUNEQGHKI-JTQLQIEISA-N -2 3 359.297 1.530 20 0 FDADHL Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000581605614 551111067 /nfs/dbraw/zinc/11/10/67/551111067.db2.gz OIQMSOICMACDNP-SNVBAGLBSA-N -2 3 356.425 1.896 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000581791414 551135189 /nfs/dbraw/zinc/13/51/89/551135189.db2.gz ARVAZPIDPQQWIU-MWLCHTKSSA-N -2 3 363.819 1.507 20 0 FDADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C2CC2)s1 ZINC000582782912 551266627 /nfs/dbraw/zinc/26/66/27/551266627.db2.gz NMXSSTMAMUMURI-LBPRGKRZSA-N -2 3 353.425 1.974 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1noc(C)n1 ZINC000582962644 551285722 /nfs/dbraw/zinc/28/57/22/551285722.db2.gz OZYSGUCZUPMJGK-UHFFFAOYSA-N -2 3 373.362 1.438 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(F)c2)on1 ZINC000583202901 551318481 /nfs/dbraw/zinc/31/84/81/551318481.db2.gz XACRGYNPUMGOAW-OAHLLOKOSA-N -2 3 356.375 1.932 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000584714167 551535150 /nfs/dbraw/zinc/53/51/50/551535150.db2.gz LCLXPRDSXMWWTG-QMMMGPOBSA-N -2 3 357.306 1.195 20 0 FDADHL COc1ccccc1-c1cc(=NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[nH][n-]1 ZINC000591449755 551871292 /nfs/dbraw/zinc/87/12/92/551871292.db2.gz VXRURUAYQHKJEH-UHFFFAOYSA-N -2 3 362.345 2.221 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)ccc21 ZINC000592429025 551994068 /nfs/dbraw/zinc/99/40/68/551994068.db2.gz MTVDBSFUFFJXCO-UHFFFAOYSA-N -2 3 368.374 1.557 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000593255290 552077383 /nfs/dbraw/zinc/07/73/83/552077383.db2.gz GFQKGLJCQUOVPZ-NSHDSACASA-N -2 3 371.436 1.894 20 0 FDADHL CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000594698670 552357928 /nfs/dbraw/zinc/35/79/28/552357928.db2.gz DTOLNRMBNWUQBC-SNVBAGLBSA-N -2 3 369.317 1.547 20 0 FDADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000594705760 552359967 /nfs/dbraw/zinc/35/99/67/552359967.db2.gz LYRAOMJLJLMPLW-DGCLKSJQSA-N -2 3 373.427 1.280 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nnn[n-]3)c2)cc1 ZINC000599334700 553030024 /nfs/dbraw/zinc/03/00/24/553030024.db2.gz PLMIZVMDUUMCLN-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nn[n-]n3)c2)cc1 ZINC000599334700 553030027 /nfs/dbraw/zinc/03/00/27/553030027.db2.gz PLMIZVMDUUMCLN-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000599616085 553104049 /nfs/dbraw/zinc/10/40/49/553104049.db2.gz DVGSHFLOMQBMNZ-SCZZXKLOSA-N -2 3 368.411 1.351 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000608364796 554262266 /nfs/dbraw/zinc/26/22/66/554262266.db2.gz FPGCJXUHCHLWLY-HNNXBMFYSA-N -2 3 369.425 1.943 20 0 FDADHL CSCCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000609898897 554436048 /nfs/dbraw/zinc/43/60/48/554436048.db2.gz ZOSJGWCSSQFWBF-UHFFFAOYSA-N -2 3 356.466 1.229 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[n-]1 ZINC000619447612 555778729 /nfs/dbraw/zinc/77/87/29/555778729.db2.gz HVRGZQFNWCHVPC-UHFFFAOYSA-N -2 3 359.317 1.869 20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c[n-]1 ZINC000619447612 555778731 /nfs/dbraw/zinc/77/87/31/555778731.db2.gz HVRGZQFNWCHVPC-UHFFFAOYSA-N -2 3 359.317 1.869 20 0 FDADHL C[C@]1(c2cccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000621585912 556115655 /nfs/dbraw/zinc/11/56/55/556115655.db2.gz MCJMZMZUABWASP-IFXJQAMLSA-N -2 3 373.409 1.505 20 0 FDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)n1 ZINC000622739775 556277334 /nfs/dbraw/zinc/27/73/34/556277334.db2.gz ZSIBVEKWAFLWKG-UHFFFAOYSA-N -2 3 355.354 1.499 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2)C1CC1 ZINC000629284145 557751293 /nfs/dbraw/zinc/75/12/93/557751293.db2.gz DFKDWGISBBUUEL-CQSZACIVSA-N -2 3 357.384 1.670 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1nocc1C(=O)[O-])c1ccc(F)cc1 ZINC000629306099 557758178 /nfs/dbraw/zinc/75/81/78/557758178.db2.gz VBFGTXQHJZEXEQ-ZDUSSCGKSA-N -2 3 358.347 1.319 20 0 FDADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc([O-])ccc3Cl)CC2)C1 ZINC000629489710 557800499 /nfs/dbraw/zinc/80/04/99/557800499.db2.gz DIOCTOMJVMSPPW-LBPRGKRZSA-N -2 3 352.818 1.943 20 0 FDADHL O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341742 598843889 /nfs/dbraw/zinc/84/38/89/598843889.db2.gz LBHZGJXEAIVXMV-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341742 598843891 /nfs/dbraw/zinc/84/38/91/598843891.db2.gz LBHZGJXEAIVXMV-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000738340492 598845960 /nfs/dbraw/zinc/84/59/60/598845960.db2.gz VQVSHSDCNKRIBX-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000738340492 598845963 /nfs/dbraw/zinc/84/59/63/598845963.db2.gz VQVSHSDCNKRIBX-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737436714 598890903 /nfs/dbraw/zinc/89/09/03/598890903.db2.gz KXSNBRNJOPMQOV-UHFFFAOYSA-N -2 3 372.410 1.008 20 0 FDADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737436714 598890904 /nfs/dbraw/zinc/89/09/04/598890904.db2.gz KXSNBRNJOPMQOV-UHFFFAOYSA-N -2 3 372.410 1.008 20 0 FDADHL CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000123914712 602209399 /nfs/dbraw/zinc/20/93/99/602209399.db2.gz AGQODOOYSZKDHC-SSDOTTSWSA-N -2 3 370.221 1.427 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736180460 599219884 /nfs/dbraw/zinc/21/98/84/599219884.db2.gz IVIHZDYWCICEHU-WCQYABFASA-N -2 3 371.397 1.347 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736180460 599219887 /nfs/dbraw/zinc/21/98/87/599219887.db2.gz IVIHZDYWCICEHU-WCQYABFASA-N -2 3 371.397 1.347 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000769516027 597156475 /nfs/dbraw/zinc/15/64/75/597156475.db2.gz MYCMLMHZYIQKBV-GFCCVEGCSA-N -2 3 358.391 1.202 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC000769516030 597161881 /nfs/dbraw/zinc/16/18/81/597161881.db2.gz MYCMLMHZYIQKBV-LBPRGKRZSA-N -2 3 358.391 1.202 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000760116306 597373296 /nfs/dbraw/zinc/37/32/96/597373296.db2.gz AIZFQVHEQJPTCY-QMMMGPOBSA-N -2 3 364.807 1.299 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000818255634 597534202 /nfs/dbraw/zinc/53/42/02/597534202.db2.gz DEQLADSPPNTAMV-SNVBAGLBSA-N -2 3 371.415 1.395 20 0 FDADHL O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737815549 598415500 /nfs/dbraw/zinc/41/55/00/598415500.db2.gz XOOSIJZPRRDBSH-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737815549 598415501 /nfs/dbraw/zinc/41/55/01/598415501.db2.gz XOOSIJZPRRDBSH-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736730826 598438074 /nfs/dbraw/zinc/43/80/74/598438074.db2.gz HSZMLBGLRYFPRN-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736730826 598438075 /nfs/dbraw/zinc/43/80/75/598438075.db2.gz HSZMLBGLRYFPRN-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737370839 598491164 /nfs/dbraw/zinc/49/11/64/598491164.db2.gz WBNMFGZACZIPOP-AREMUKBSSA-N -2 3 369.450 1.908 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000738140407 598799601 /nfs/dbraw/zinc/79/96/01/598799601.db2.gz UNFLMSBQULJMAN-HNNXBMFYSA-N -2 3 369.406 1.402 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000738140407 598799602 /nfs/dbraw/zinc/79/96/02/598799602.db2.gz UNFLMSBQULJMAN-HNNXBMFYSA-N -2 3 369.406 1.402 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000738140408 598799741 /nfs/dbraw/zinc/79/97/41/598799741.db2.gz UNFLMSBQULJMAN-OAHLLOKOSA-N -2 3 369.406 1.402 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000738140408 598799743 /nfs/dbraw/zinc/79/97/43/598799743.db2.gz UNFLMSBQULJMAN-OAHLLOKOSA-N -2 3 369.406 1.402 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000822471635 607377123 /nfs/dbraw/zinc/37/71/23/607377123.db2.gz GSOFOHSLTITFNT-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c[nH]1 ZINC000822471635 607377125 /nfs/dbraw/zinc/37/71/25/607377125.db2.gz GSOFOHSLTITFNT-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735550018 599615091 /nfs/dbraw/zinc/61/50/91/599615091.db2.gz FBWKMIVLEOSGIJ-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735550018 599615092 /nfs/dbraw/zinc/61/50/92/599615092.db2.gz FBWKMIVLEOSGIJ-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227370 599620648 /nfs/dbraw/zinc/62/06/48/599620648.db2.gz GMSPBQVKUPFTMY-SNVBAGLBSA-N -2 3 361.383 1.377 20 0 FDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227370 599620649 /nfs/dbraw/zinc/62/06/49/599620649.db2.gz GMSPBQVKUPFTMY-SNVBAGLBSA-N -2 3 361.383 1.377 20 0 FDADHL CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000324837738 599770883 /nfs/dbraw/zinc/77/08/83/599770883.db2.gz DJRXKAUZOBXZJW-UHFFFAOYSA-N -2 3 358.416 1.293 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCOCC2)o1 ZINC000740176426 599773699 /nfs/dbraw/zinc/77/36/99/599773699.db2.gz BTFFGHQQKQBPHD-UHFFFAOYSA-N -2 3 366.395 1.293 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)o1 ZINC000645961207 599776621 /nfs/dbraw/zinc/77/66/21/599776621.db2.gz ZEASXZWEJNUQQR-UHFFFAOYSA-N -2 3 356.425 1.834 20 0 FDADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000737574126 599981884 /nfs/dbraw/zinc/98/18/84/599981884.db2.gz LLGWKASQNVAJEM-MRVPVSSYSA-N -2 3 373.280 1.139 20 0 FDADHL Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000255711422 600052364 /nfs/dbraw/zinc/05/23/64/600052364.db2.gz OCPIJONQSOBNOW-UHFFFAOYSA-N -2 3 369.449 1.794 20 0 FDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000738249658 600339436 /nfs/dbraw/zinc/33/94/36/600339436.db2.gz XKBWYACZACCTTF-UHFFFAOYSA-N -2 3 361.173 1.947 20 0 FDADHL Cc1cncc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399425 607441771 /nfs/dbraw/zinc/44/17/71/607441771.db2.gz HOFJAJXLCLHQLN-AATRIKPKSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1cncc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399425 607441773 /nfs/dbraw/zinc/44/17/73/607441773.db2.gz HOFJAJXLCLHQLN-AATRIKPKSA-N -2 3 370.394 1.088 20 0 FDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738996183 600498735 /nfs/dbraw/zinc/49/87/35/600498735.db2.gz NNSPFWYOLDOYBR-UHFFFAOYSA-N -2 3 356.338 1.773 20 0 FDADHL O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])o1 ZINC000740125497 600537155 /nfs/dbraw/zinc/53/71/55/600537155.db2.gz HHCWTTCMAMPRDV-CYBMUJFWSA-N -2 3 358.350 1.604 20 0 FDADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cn(Cc3ccccc3)nn2)s1 ZINC000739713108 600541461 /nfs/dbraw/zinc/54/14/61/600541461.db2.gz YFDAFLBGOLEZPY-UHFFFAOYSA-N -2 3 372.410 1.838 20 0 FDADHL O=C([O-])COc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000739834157 600613198 /nfs/dbraw/zinc/61/31/98/600613198.db2.gz YUMYSUSBUWAMLO-MHWRWJLKSA-N -2 3 352.346 1.551 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC000831384870 600749013 /nfs/dbraw/zinc/74/90/13/600749013.db2.gz DYSMLBXGHCXTEF-UHFFFAOYSA-N -2 3 373.770 1.896 20 0 FDADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000737167947 600906847 /nfs/dbraw/zinc/90/68/47/600906847.db2.gz JXOQUFMRQCKKNO-NSHDSACASA-N -2 3 362.382 1.160 20 0 FDADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])C2CCOCC2)c(=O)[n-]1 ZINC000832994856 600967375 /nfs/dbraw/zinc/96/73/75/600967375.db2.gz QHGHGWHLRPQYHB-UHFFFAOYSA-N -2 3 351.403 1.214 20 0 FDADHL CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826134822 601233528 /nfs/dbraw/zinc/23/35/28/601233528.db2.gz BKUPOPIEFSXGJA-UHFFFAOYSA-N -2 3 364.370 1.104 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc([S@@](C)=O)cc2)cc1C(=O)[O-] ZINC000833026419 601405412 /nfs/dbraw/zinc/40/54/12/601405412.db2.gz AVJMSUDXEABNLU-JOCHJYFZSA-N -2 3 357.409 1.502 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000832993517 601527658 /nfs/dbraw/zinc/52/76/58/601527658.db2.gz ZBTHBYKOKRFNPY-HNNXBMFYSA-N -2 3 370.409 1.442 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CC[C@](F)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000831479513 601554700 /nfs/dbraw/zinc/55/47/00/601554700.db2.gz OVHLWDPNTWFVPC-OAHLLOKOSA-N -2 3 369.374 1.078 20 0 FDADHL C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827517521 601565574 /nfs/dbraw/zinc/56/55/74/601565574.db2.gz OYLKQPMHEPHYRM-RKDXNWHRSA-N -2 3 365.354 1.135 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000831078614 601596506 /nfs/dbraw/zinc/59/65/06/601596506.db2.gz MXZZWCCZAYPMLV-CYBMUJFWSA-N -2 3 359.400 1.686 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000831078839 601597368 /nfs/dbraw/zinc/59/73/68/601597368.db2.gz OXXPBPBEAFSKEG-HNNXBMFYSA-N -2 3 369.439 1.926 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000833028867 601809550 /nfs/dbraw/zinc/80/95/50/601809550.db2.gz RFIPLXWJDOPGLL-ZANVPECISA-N -2 3 370.427 1.212 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000833086394 601863697 /nfs/dbraw/zinc/86/36/97/601863697.db2.gz KGVJHHLXEGICJN-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826303791 607534263 /nfs/dbraw/zinc/53/42/63/607534263.db2.gz FPABJHFNMHOLSG-UHFFFAOYSA-N -2 3 372.410 1.004 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1-c1nnn[n-]1 ZINC000826304110 607537109 /nfs/dbraw/zinc/53/71/09/607537109.db2.gz WSPNPJCJCDCHCR-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1-c1nn[n-]n1 ZINC000826304110 607537111 /nfs/dbraw/zinc/53/71/11/607537111.db2.gz WSPNPJCJCDCHCR-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C)c(=O)[n-]1 ZINC000740217669 603228055 /nfs/dbraw/zinc/22/80/55/603228055.db2.gz NMQRQTIZWCGGMY-QGZVFWFLSA-N -2 3 352.435 1.920 20 0 FDADHL Cc1nc(C)c(CCC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(=O)[n-]1 ZINC000830716080 603476188 /nfs/dbraw/zinc/47/61/88/603476188.db2.gz NKNIIGWICGFDHY-UHFFFAOYSA-N -2 3 350.419 1.769 20 0 FDADHL CCN(CC(=O)Nc1cc(I)ccc1[O-])C(=O)[O-] ZINC000827009894 603886057 /nfs/dbraw/zinc/88/60/57/603886057.db2.gz UGWLWCYDCUHGBJ-UHFFFAOYSA-N -2 3 364.139 1.935 20 0 FDADHL CCc1nnc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CCO2)[nH]1 ZINC000827620864 603946733 /nfs/dbraw/zinc/94/67/33/603946733.db2.gz NCRYIWZODTUPCS-LBPRGKRZSA-N -2 3 361.358 1.376 20 0 FDADHL CCc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CCO2)n[nH]1 ZINC000827620864 603946734 /nfs/dbraw/zinc/94/67/34/603946734.db2.gz NCRYIWZODTUPCS-LBPRGKRZSA-N -2 3 361.358 1.376 20 0 FDADHL COc1ccc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c([O-])c1 ZINC000829277469 604116271 /nfs/dbraw/zinc/11/62/71/604116271.db2.gz SEMHBNHTNFAOMZ-UHFFFAOYSA-N -2 3 352.387 1.680 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c(=O)[n-]1 ZINC000830716436 604167855 /nfs/dbraw/zinc/16/78/55/604167855.db2.gz RRFBDCFKVGNWFM-GXFFZTMASA-N -2 3 350.419 1.626 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)cc1C(=O)[O-] ZINC000833027466 604364934 /nfs/dbraw/zinc/36/49/34/604364934.db2.gz FQVBYQSQFWPHHT-QMTHXVAHSA-N -2 3 361.441 1.619 20 0 FDADHL CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000830379304 604433301 /nfs/dbraw/zinc/43/33/01/604433301.db2.gz QQCXOVNQCUPJBC-LBPRGKRZSA-N -2 3 361.416 1.547 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])CCCC2)no1 ZINC000833755233 604684726 /nfs/dbraw/zinc/68/47/26/604684726.db2.gz FMZYLAWGYXLIFX-UHFFFAOYSA-N -2 3 369.374 1.963 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833426081 604710338 /nfs/dbraw/zinc/71/03/38/604710338.db2.gz MWUMARWMJGGLQH-CYBMUJFWSA-N -2 3 371.411 1.075 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CN(C(=O)[O-])CCO3)c2)n1 ZINC000827557390 604718566 /nfs/dbraw/zinc/71/85/66/604718566.db2.gz ROQBCWQKLKLIFP-CQSZACIVSA-N -2 3 372.381 1.729 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000833716283 604809943 /nfs/dbraw/zinc/80/99/43/604809943.db2.gz ZRPFOYDVQXYYIS-BZNIZROVSA-N -2 3 373.402 1.924 20 0 FDADHL CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829786749 604810625 /nfs/dbraw/zinc/81/06/25/604810625.db2.gz UJGXHJNUMQAUAI-UHFFFAOYSA-N -2 3 364.370 1.104 20 0 FDADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1 ZINC000833775055 605002794 /nfs/dbraw/zinc/00/27/94/605002794.db2.gz UTOPLMNVUPLQFK-UHFFFAOYSA-N -2 3 369.370 1.972 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000760117647 605015127 /nfs/dbraw/zinc/01/51/27/605015127.db2.gz ONRRDKCCBIGGIV-UHFFFAOYSA-N -2 3 359.375 1.678 20 0 FDADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C12CCCC2 ZINC000833662251 605042155 /nfs/dbraw/zinc/04/21/55/605042155.db2.gz ZIUZQMXOPUNZFT-GHMZBOCLSA-N -2 3 357.432 1.432 20 0 FDADHL CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833658240 605424362 /nfs/dbraw/zinc/42/43/62/605424362.db2.gz ZRPGSEHEWLHTNH-YUMQZZPRSA-N -2 3 365.354 1.529 20 0 FDADHL O=C([O-])N[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000834126061 605628817 /nfs/dbraw/zinc/62/88/17/605628817.db2.gz YTSODWLESSUKSN-MRXNPFEDSA-N -2 3 371.393 1.637 20 0 FDADHL O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000739385593 605709687 /nfs/dbraw/zinc/70/96/87/605709687.db2.gz GOWOIYXWYMYXEL-JSGCOSHPSA-N -2 3 361.398 1.255 20 0 FDADHL O=C([O-])N[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C1CC1 ZINC000834141588 605996405 /nfs/dbraw/zinc/99/64/05/605996405.db2.gz WSUJPYRGYUXIAW-UONOGXRCSA-N -2 3 361.398 1.159 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000823387426 606381373 /nfs/dbraw/zinc/38/13/73/606381373.db2.gz JKGATZQQTWHGGQ-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000823387426 606381374 /nfs/dbraw/zinc/38/13/74/606381374.db2.gz JKGATZQQTWHGGQ-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000822151624 606391946 /nfs/dbraw/zinc/39/19/46/606391946.db2.gz CRHANPBKIDYMLO-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000822151624 606391947 /nfs/dbraw/zinc/39/19/47/606391947.db2.gz CRHANPBKIDYMLO-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000822645930 606406434 /nfs/dbraw/zinc/40/64/34/606406434.db2.gz XKDOLWYCNNSEBM-UHFFFAOYSA-N -2 3 372.819 1.039 20 0 FDADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000822645930 606406436 /nfs/dbraw/zinc/40/64/36/606406436.db2.gz XKDOLWYCNNSEBM-UHFFFAOYSA-N -2 3 372.819 1.039 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822514726 606469064 /nfs/dbraw/zinc/46/90/64/606469064.db2.gz GVCMDNKHUMXKBW-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822514726 606469065 /nfs/dbraw/zinc/46/90/65/606469065.db2.gz GVCMDNKHUMXKBW-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(F)cc1F ZINC000822211931 606600869 /nfs/dbraw/zinc/60/08/69/606600869.db2.gz UJNRNQMNKCNAGZ-UHFFFAOYSA-N -2 3 352.326 1.649 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(F)cc1F ZINC000822211931 606600871 /nfs/dbraw/zinc/60/08/71/606600871.db2.gz UJNRNQMNKCNAGZ-UHFFFAOYSA-N -2 3 352.326 1.649 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822374425 606695939 /nfs/dbraw/zinc/69/59/39/606695939.db2.gz WBLWJZGYWNEPFT-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822374425 606695940 /nfs/dbraw/zinc/69/59/40/606695940.db2.gz WBLWJZGYWNEPFT-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000822622275 606709279 /nfs/dbraw/zinc/70/92/79/606709279.db2.gz AHTPSHSVHGBHHM-UHFFFAOYSA-N -2 3 359.415 1.280 20 0 FDADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820882051 606758150 /nfs/dbraw/zinc/75/81/50/606758150.db2.gz IRHLGDUFTOXDCQ-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820882051 606758152 /nfs/dbraw/zinc/75/81/52/606758152.db2.gz IRHLGDUFTOXDCQ-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822203503 606821993 /nfs/dbraw/zinc/82/19/93/606821993.db2.gz XAWAZBZVXOHRRK-UHFFFAOYSA-N -2 3 352.326 1.649 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822203503 606821995 /nfs/dbraw/zinc/82/19/95/606821995.db2.gz XAWAZBZVXOHRRK-UHFFFAOYSA-N -2 3 352.326 1.649 20 0 FDADHL O=S(=O)([N-]Cc1cccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578286 606883428 /nfs/dbraw/zinc/88/34/28/606883428.db2.gz LACXUHRGPPEKJR-UHFFFAOYSA-N -2 3 352.326 1.018 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820542692 607107965 /nfs/dbraw/zinc/10/79/65/607107965.db2.gz QMZKTNQNAQTBEX-LLVKDONJSA-N -2 3 367.365 1.649 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820542692 607107967 /nfs/dbraw/zinc/10/79/67/607107967.db2.gz QMZKTNQNAQTBEX-LLVKDONJSA-N -2 3 367.365 1.649 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000820542068 607110210 /nfs/dbraw/zinc/11/02/10/607110210.db2.gz LLLRSANXMCKSDR-LLVKDONJSA-N -2 3 359.386 1.395 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000820542068 607110212 /nfs/dbraw/zinc/11/02/12/607110212.db2.gz LLLRSANXMCKSDR-LLVKDONJSA-N -2 3 359.386 1.395 20 0 FDADHL C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820234975 607126894 /nfs/dbraw/zinc/12/68/94/607126894.db2.gz PRBSPCBTZROOHD-IUCAKERBSA-N -2 3 373.385 1.238 20 0 FDADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824352764 607806288 /nfs/dbraw/zinc/80/62/88/607806288.db2.gz MHJDFBOCDQALAO-UHFFFAOYSA-N -2 3 360.399 1.437 20 0 FDADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824352764 607806289 /nfs/dbraw/zinc/80/62/89/607806289.db2.gz MHJDFBOCDQALAO-UHFFFAOYSA-N -2 3 360.399 1.437 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000826396072 607846397 /nfs/dbraw/zinc/84/63/97/607846397.db2.gz FMGPMPLVBVYRGM-UHFFFAOYSA-N -2 3 367.778 1.004 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000826186583 607846543 /nfs/dbraw/zinc/84/65/43/607846543.db2.gz AOLFUTRVMYIUIC-UHFFFAOYSA-N -2 3 352.401 1.441 20 0 FDADHL CC(C)Oc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1-c1nnn[n-]1 ZINC000824324268 608472826 /nfs/dbraw/zinc/47/28/26/608472826.db2.gz KAEBUMFCMKPKKM-UHFFFAOYSA-N -2 3 374.401 1.583 20 0 FDADHL CC(C)Oc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1-c1nn[n-]n1 ZINC000824324268 608472829 /nfs/dbraw/zinc/47/28/29/608472829.db2.gz KAEBUMFCMKPKKM-UHFFFAOYSA-N -2 3 374.401 1.583 20 0 FDADHL C[C@@H](CN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1)C(=O)[O-] ZINC000824413710 609258964 /nfs/dbraw/zinc/25/89/64/609258964.db2.gz OPTOFKUZKWQRPU-QWRGUYRKSA-N -2 3 359.386 1.346 20 0 FDADHL C[C@@H](CN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1)C(=O)[O-] ZINC000824413710 609258965 /nfs/dbraw/zinc/25/89/65/609258965.db2.gz OPTOFKUZKWQRPU-QWRGUYRKSA-N -2 3 359.386 1.346 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000824728211 609259023 /nfs/dbraw/zinc/25/90/23/609259023.db2.gz FDPGCILMPOVXGQ-LBPRGKRZSA-N -2 3 373.413 1.737 20 0 FDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000275082554 674605155 /nfs/dbraw/zinc/60/51/55/674605155.db2.gz NLZKFTOGINTBCL-CQSZACIVSA-N -2 3 373.381 1.728 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000048573833 671077254 /nfs/dbraw/zinc/07/72/54/671077254.db2.gz IPNKNHWFXNGRRO-UHFFFAOYSA-N -2 3 353.375 1.555 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)cc1Br ZINC000049463431 671093355 /nfs/dbraw/zinc/09/33/55/671093355.db2.gz VBJGWNKKLPCXTQ-UHFFFAOYSA-N -2 3 366.237 1.359 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000051184135 671121643 /nfs/dbraw/zinc/12/16/43/671121643.db2.gz ZFUWXTSNTJZMBU-UHFFFAOYSA-N -2 3 359.363 1.691 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000054795417 671219067 /nfs/dbraw/zinc/21/90/67/671219067.db2.gz SGZKVMAOSNTDCU-UHFFFAOYSA-N -3 3 351.336 1.892 20 0 FDADHL N#Cc1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)ccc1Cl ZINC000055558670 671236443 /nfs/dbraw/zinc/23/64/43/671236443.db2.gz UTEHGLMKLMPZAM-UHFFFAOYSA-N -2 3 353.762 1.974 20 0 FDADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)cc1 ZINC000066589381 671343128 /nfs/dbraw/zinc/34/31/28/671343128.db2.gz GQMAEPZSBMDHSK-UHFFFAOYSA-N -2 3 362.473 1.226 20 0 FDADHL C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216534 671362691 /nfs/dbraw/zinc/36/26/91/671362691.db2.gz OAYGJFGFJGGDOZ-UHFFFAOYSA-N -2 3 356.359 1.383 20 0 FDADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)o1 ZINC000084461518 671476968 /nfs/dbraw/zinc/47/69/68/671476968.db2.gz VUOQRWXIALRFOC-UHFFFAOYSA-N -2 3 360.395 1.456 20 0 FDADHL CSC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000227938545 672414474 /nfs/dbraw/zinc/41/44/74/672414474.db2.gz WYFSJVKXHIFTDK-UHFFFAOYSA-N -2 3 370.246 1.914 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000290754073 676229210 /nfs/dbraw/zinc/22/92/10/676229210.db2.gz YPFYRWCDQIKKKB-QMMMGPOBSA-N -2 3 370.196 1.356 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)n1 ZINC000284008098 675667228 /nfs/dbraw/zinc/66/72/28/675667228.db2.gz MWFVJAVQQZWMEB-UHFFFAOYSA-N -2 3 357.363 1.737 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000291043294 676241357 /nfs/dbraw/zinc/24/13/57/676241357.db2.gz YPFYRWCDQIKKKB-MRVPVSSYSA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1F ZINC000327401141 676592386 /nfs/dbraw/zinc/59/23/86/676592386.db2.gz VAHQWOZNSPYRGB-UHFFFAOYSA-N -2 3 366.326 1.656 20 0 FDADHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000365113012 677350252 /nfs/dbraw/zinc/35/02/52/677350252.db2.gz JMVOBYWDTVJAON-UHFFFAOYSA-N -2 3 359.367 1.454 20 0 FDADHL COC(=O)[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420641572 680497428 /nfs/dbraw/zinc/49/74/28/680497428.db2.gz UNBWQGQXTXWQBJ-GXSJLCMTSA-N -2 3 369.418 1.956 20 0 FDADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1F ZINC000436164173 681671879 /nfs/dbraw/zinc/67/18/79/681671879.db2.gz SSESOHLGDBXWEU-UHFFFAOYSA-N -2 3 350.327 1.519 20 0 FDADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000436546694 681705128 /nfs/dbraw/zinc/70/51/28/681705128.db2.gz LAPNTBFWZDQLFY-UHFFFAOYSA-N -2 3 368.440 1.746 20 0 FDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000436652339 681712862 /nfs/dbraw/zinc/71/28/62/681712862.db2.gz MFFVRSQGOZCNFK-UHFFFAOYSA-N -2 3 352.368 1.738 20 0 FDADHL O=C(NCCCNC(=O)c1cc(F)ccc1[O-])c1cc(F)ccc1[O-] ZINC000436663739 681714384 /nfs/dbraw/zinc/71/43/84/681714384.db2.gz HBGWBNHNLYYJPU-UHFFFAOYSA-N -2 3 350.321 1.926 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[n-]1 ZINC000460540323 684535162 /nfs/dbraw/zinc/53/51/62/684535162.db2.gz SNQHSDHJBNERTI-UHFFFAOYSA-N -2 3 365.198 1.628 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)[n-]1 ZINC000460540431 684535182 /nfs/dbraw/zinc/53/51/82/684535182.db2.gz UMFAHTYIJXSSRL-UHFFFAOYSA-N -2 3 365.198 1.628 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cnn1C ZINC000464840078 684762668 /nfs/dbraw/zinc/76/26/68/684762668.db2.gz RNGPFBQGOZASTG-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000467310914 684854841 /nfs/dbraw/zinc/85/48/41/684854841.db2.gz ZFZKZIXOMXZPNP-UHFFFAOYSA-N -2 3 366.370 1.986 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)ccc1[O-] ZINC000481445580 686333452 /nfs/dbraw/zinc/33/34/52/686333452.db2.gz PJAWLDQRAMXGMV-UHFFFAOYSA-N -2 3 363.395 1.559 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000492053499 687157262 /nfs/dbraw/zinc/15/72/62/687157262.db2.gz AQLFVSGDEBOKKU-UHFFFAOYSA-N -2 3 350.784 1.954 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C(=O)[O-] ZINC000523979602 694549069 /nfs/dbraw/zinc/54/90/69/694549069.db2.gz NLEGOBUWWXKHHY-UHFFFAOYSA-N -3 3 360.347 1.378 20 0 FDADHL 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BEUZNNUVCHSQJI-ZWNOBZJWSA-N -2 3 373.402 1.924 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2)c[n-]1 ZINC000585730993 551589441 /nfs/dbraw/zinc/58/94/41/551589441.db2.gz VYGGNZIGLSGSTE-UHFFFAOYSA-N -2 3 367.383 1.564 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2)[n-]1 ZINC000585730993 551589443 /nfs/dbraw/zinc/58/94/43/551589443.db2.gz VYGGNZIGLSGSTE-UHFFFAOYSA-N -2 3 367.383 1.564 20 0 FDADHL CCOC(=O)c1cnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])[n-]1 ZINC000590355992 551775789 /nfs/dbraw/zinc/77/57/89/551775789.db2.gz NINGGNSURRHHML-CYBMUJFWSA-N -2 3 372.381 1.535 20 0 FDADHL CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000590355992 551775790 /nfs/dbraw/zinc/77/57/90/551775790.db2.gz NINGGNSURRHHML-CYBMUJFWSA-N -2 3 372.381 1.535 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c(C)o1 ZINC000592448548 551997242 /nfs/dbraw/zinc/99/72/42/551997242.db2.gz MKZIHNRELBQEJL-QMMMGPOBSA-N -2 3 365.429 1.107 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000592447257 551996944 /nfs/dbraw/zinc/99/69/44/551996944.db2.gz KWMLMUINRGQJTI-QWHCGFSZSA-N -2 3 359.375 1.534 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(F)c1 ZINC000593217099 552073966 /nfs/dbraw/zinc/07/39/66/552073966.db2.gz FBPQSVLAHXNWGA-UHFFFAOYSA-N -2 3 361.391 1.926 20 0 FDADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000594705762 552359758 /nfs/dbraw/zinc/35/97/58/552359758.db2.gz LYRAOMJLJLMPLW-YPMHNXCESA-N -2 3 373.427 1.280 20 0 FDADHL COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000596028187 552646333 /nfs/dbraw/zinc/64/63/33/552646333.db2.gz WWBMMOQHPWQUKU-NSHDSACASA-N -2 3 358.416 1.284 20 0 FDADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000599335062 553030538 /nfs/dbraw/zinc/03/05/38/553030538.db2.gz YWHSRWIFGGRGKN-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000599335062 553030539 /nfs/dbraw/zinc/03/05/39/553030539.db2.gz YWHSRWIFGGRGKN-UHFFFAOYSA-N -2 3 372.410 1.239 20 0 FDADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000605613574 554007791 /nfs/dbraw/zinc/00/77/91/554007791.db2.gz SPNHOEXDZMRQCE-NSHDSACASA-N -2 3 351.384 1.491 20 0 FDADHL CSc1ccc([O-])c(C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000612120015 554736989 /nfs/dbraw/zinc/73/69/89/554736989.db2.gz WFZLSLBOFRZTPZ-UHFFFAOYSA-N -2 3 351.457 1.510 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])c(F)c1F ZINC000629294283 557754429 /nfs/dbraw/zinc/75/44/29/557754429.db2.gz WFHDYQOLGJXWBB-GFCCVEGCSA-N -2 3 370.377 1.890 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-] ZINC000629297802 557756085 /nfs/dbraw/zinc/75/60/85/557756085.db2.gz YZQSBBKVLCGAOH-VIFPVBQESA-N -2 3 370.196 1.011 20 0 FDADHL COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)OC)c1 ZINC000629333326 557766954 /nfs/dbraw/zinc/76/69/54/557766954.db2.gz OLHUISKEHRWTBE-CYBMUJFWSA-N -2 3 369.395 1.961 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC000629338933 557768759 /nfs/dbraw/zinc/76/87/59/557768759.db2.gz BZCXSESNHOJPFK-QWHCGFSZSA-N -2 3 359.448 1.087 20 0 FDADHL Cc1cc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)CCOCC2)on1 ZINC000629345101 557770646 /nfs/dbraw/zinc/77/06/46/557770646.db2.gz VNIUKKGJUCPIFA-UHFFFAOYSA-N -2 3 366.395 1.665 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCOC1 ZINC000630432077 557909063 /nfs/dbraw/zinc/90/90/63/557909063.db2.gz JQFIFDZWKMQVGE-ZDUSSCGKSA-N -2 3 353.318 1.264 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCCOC1 ZINC000630433532 557909317 /nfs/dbraw/zinc/90/93/17/557909317.db2.gz VBGOEVVLAYTHJZ-CQSZACIVSA-N -2 3 365.810 1.780 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(C)c1C(N)=O ZINC000737301694 598930748 /nfs/dbraw/zinc/93/07/48/598930748.db2.gz QTHHWVXACWKKJL-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C(N)=O ZINC000737301694 598930750 /nfs/dbraw/zinc/93/07/50/598930750.db2.gz QTHHWVXACWKKJL-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736830919 598986079 /nfs/dbraw/zinc/98/60/79/598986079.db2.gz DVELYRNMAZVWAM-UHFFFAOYSA-N -2 3 368.382 1.244 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(=O)[O-] ZINC000737399400 599198049 /nfs/dbraw/zinc/19/80/49/599198049.db2.gz JLKNVUZBLVBUIU-UHFFFAOYSA-N -3 3 360.355 1.069 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(=O)[O-] ZINC000737399400 599198052 /nfs/dbraw/zinc/19/80/52/599198052.db2.gz JLKNVUZBLVBUIU-UHFFFAOYSA-N -3 3 360.355 1.069 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC000735974008 599218714 /nfs/dbraw/zinc/21/87/14/599218714.db2.gz DMBWJRACKZTBGX-NSHDSACASA-N -2 3 360.399 1.124 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC000735974008 599218717 /nfs/dbraw/zinc/21/87/17/599218717.db2.gz DMBWJRACKZTBGX-NSHDSACASA-N -2 3 360.399 1.124 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cnc1Cl ZINC000822211896 599234277 /nfs/dbraw/zinc/23/42/77/599234277.db2.gz SIYCSHYHLZCYLK-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cnc1Cl ZINC000822211896 599234280 /nfs/dbraw/zinc/23/42/80/599234280.db2.gz SIYCSHYHLZCYLK-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCN(C)C(=O)[O-])sc1Br ZINC000830133492 603506253 /nfs/dbraw/zinc/50/62/53/603506253.db2.gz VTTUEBPHYCEDMU-UHFFFAOYSA-N -2 3 357.251 1.707 20 0 FDADHL O=C([O-])CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000509200410 597114836 /nfs/dbraw/zinc/11/48/36/597114836.db2.gz LLZVNPYANZZGII-UHFFFAOYSA-N -2 3 355.347 1.159 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1F ZINC000769560502 597189377 /nfs/dbraw/zinc/18/93/77/597189377.db2.gz MRDPKJDFYPURIB-CYBMUJFWSA-N -2 3 360.407 1.351 20 0 FDADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000737249427 598297198 /nfs/dbraw/zinc/29/71/98/598297198.db2.gz ZCXBRCSGJUDJQX-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL Cn1c2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2oc1=O ZINC000737590128 598330269 /nfs/dbraw/zinc/33/02/69/598330269.db2.gz GOGUNCKYZYOHSK-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL O=S(=O)([N-]c1cccnc1N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342133 598333347 /nfs/dbraw/zinc/33/33/47/598333347.db2.gz LWUQKLXXALIPTN-UHFFFAOYSA-N -2 3 372.414 1.058 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737316567 598415155 /nfs/dbraw/zinc/41/51/55/598415155.db2.gz ZBAFICDGFRMJLJ-UHFFFAOYSA-N -2 3 367.774 1.540 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737316567 598415157 /nfs/dbraw/zinc/41/51/57/598415157.db2.gz ZBAFICDGFRMJLJ-UHFFFAOYSA-N -2 3 367.774 1.540 20 0 FDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735963952 598437586 /nfs/dbraw/zinc/43/75/86/598437586.db2.gz RTANGRHSYDFLRI-SNVBAGLBSA-N -2 3 359.415 1.835 20 0 FDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735963952 598437587 /nfs/dbraw/zinc/43/75/87/598437587.db2.gz RTANGRHSYDFLRI-SNVBAGLBSA-N -2 3 359.415 1.835 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(C)C)c[nH]1 ZINC000737499535 598452280 /nfs/dbraw/zinc/45/22/80/598452280.db2.gz LVQNBFWPENAJCZ-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c[nH]1 ZINC000737499535 598452282 /nfs/dbraw/zinc/45/22/82/598452282.db2.gz LVQNBFWPENAJCZ-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737370588 598491002 /nfs/dbraw/zinc/49/10/02/598491002.db2.gz SYHSYUWWFUXEFA-SANMLTNESA-N -2 3 369.450 1.908 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737619058 598548690 /nfs/dbraw/zinc/54/86/90/598548690.db2.gz QPGADMOJQSDBCG-UHFFFAOYSA-N -2 3 371.329 1.002 20 0 FDADHL CCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736497772 599617581 /nfs/dbraw/zinc/61/75/81/599617581.db2.gz MLORMMPRJOJXHN-ZDUSSCGKSA-N -2 3 367.431 1.126 20 0 FDADHL CCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736497772 599617583 /nfs/dbraw/zinc/61/75/83/599617583.db2.gz MLORMMPRJOJXHN-ZDUSSCGKSA-N -2 3 367.431 1.126 20 0 FDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822950676 599620142 /nfs/dbraw/zinc/62/01/42/599620142.db2.gz XDERQVSJDMQKPU-UHFFFAOYSA-N -2 3 363.321 1.155 20 0 FDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822950676 599620143 /nfs/dbraw/zinc/62/01/43/599620143.db2.gz XDERQVSJDMQKPU-UHFFFAOYSA-N -2 3 363.321 1.155 20 0 FDADHL CN(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000737439356 599773233 /nfs/dbraw/zinc/77/32/33/599773233.db2.gz LSRHPAAZNLCIGF-UHFFFAOYSA-N -2 3 356.375 1.922 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)o1 ZINC000740175276 599773969 /nfs/dbraw/zinc/77/39/69/599773969.db2.gz KSIWWLSRBIEEOK-UHFFFAOYSA-N -2 3 350.396 1.925 20 0 FDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000517191361 599853742 /nfs/dbraw/zinc/85/37/42/599853742.db2.gz IIEFLUFBHJVLRH-UHFFFAOYSA-N -2 3 364.379 1.310 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000327646470 599936981 /nfs/dbraw/zinc/93/69/81/599936981.db2.gz UNOAMKGRCXIEKL-HNNXBMFYSA-N -2 3 363.391 1.886 20 0 FDADHL O=C([O-])[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000262667178 600026920 /nfs/dbraw/zinc/02/69/20/600026920.db2.gz NVBWODRXFJEFPI-MRVPVSSYSA-N -2 3 366.848 1.003 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000738164787 600137519 /nfs/dbraw/zinc/13/75/19/600137519.db2.gz YYMFXPIVBHGFFE-UHFFFAOYSA-N -2 3 367.335 1.389 20 0 FDADHL CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000737035521 600183290 /nfs/dbraw/zinc/18/32/90/600183290.db2.gz OTWKTRYPUMBKQL-UHFFFAOYSA-N -2 3 370.369 1.659 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCNC(=O)c2cccc(F)c2)o1 ZINC000739416884 600345858 /nfs/dbraw/zinc/34/58/58/600345858.db2.gz MPJUJWAPABOYDJ-UHFFFAOYSA-N -2 3 370.358 1.215 20 0 FDADHL O=C([O-])CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739724364 600361548 /nfs/dbraw/zinc/36/15/48/600361548.db2.gz ZNDAXSPLKFBMGJ-UHFFFAOYSA-N -2 3 356.378 1.626 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c[nH]1 ZINC000751270674 600677072 /nfs/dbraw/zinc/67/70/72/600677072.db2.gz BMDJWEPXISGKEM-UHFFFAOYSA-N -2 3 367.358 1.780 20 0 FDADHL CC(C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000736313106 600775968 /nfs/dbraw/zinc/77/59/68/600775968.db2.gz VRDOOBLXAWIYEP-UHFFFAOYSA-N -2 3 358.391 1.250 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)ccc1C(=O)[O-] ZINC000327973021 600887719 /nfs/dbraw/zinc/88/77/19/600887719.db2.gz YDZWXJXXICJKTJ-UHFFFAOYSA-N -2 3 364.379 1.358 20 0 FDADHL Cc1ccc(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c([O-])c1 ZINC000832910986 601068862 /nfs/dbraw/zinc/06/88/62/601068862.db2.gz FJXTXSIRTPSPEF-LBPRGKRZSA-N -2 3 360.391 1.996 20 0 FDADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000831073644 601223438 /nfs/dbraw/zinc/22/34/38/601223438.db2.gz QCYHMDLAVMUJBH-CYBMUJFWSA-N -2 3 367.379 1.521 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NC2CCCC2)c1F ZINC000833109912 601234455 /nfs/dbraw/zinc/23/44/55/601234455.db2.gz CUMHCGONGXUZFI-UHFFFAOYSA-N -2 3 362.354 1.000 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000761631216 601288658 /nfs/dbraw/zinc/28/86/58/601288658.db2.gz WDLKBWVVILQKRP-AWEZNQCLSA-N -2 3 366.395 1.394 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000831033756 601358235 /nfs/dbraw/zinc/35/82/35/601358235.db2.gz DJUDBVPEDZLVKU-ZDUSSCGKSA-N -2 3 353.352 1.479 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000831467354 601596596 /nfs/dbraw/zinc/59/65/96/601596596.db2.gz ZBJNVUJAMPQWMU-LBPRGKRZSA-N -2 3 361.441 1.847 20 0 FDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000828790069 601665696 /nfs/dbraw/zinc/66/56/96/601665696.db2.gz PJOAJDNJPDHFHK-UHFFFAOYSA-N -2 3 360.407 1.497 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000833027382 602008462 /nfs/dbraw/zinc/00/84/62/602008462.db2.gz RQSASQVMTHKHGW-UHFFFAOYSA-N -2 3 367.305 1.524 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(Br)o1 ZINC000055329807 602148059 /nfs/dbraw/zinc/14/80/59/602148059.db2.gz WPFBKCMNNQQBLE-ZETCQYMHSA-N -2 3 368.205 1.588 20 0 FDADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOC1 ZINC000397229700 602154729 /nfs/dbraw/zinc/15/47/29/602154729.db2.gz LPXVVSWSPVPLDH-LLVKDONJSA-N -2 3 368.205 1.445 20 0 FDADHL Cn1cccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000231882535 602160203 /nfs/dbraw/zinc/16/02/03/602160203.db2.gz ZGPYHHPXEXMLLI-UHFFFAOYSA-N -2 3 363.189 1.557 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)cc1C(=O)[O-] ZINC000833028901 602222396 /nfs/dbraw/zinc/22/23/96/602222396.db2.gz SRFNXJWWTMRISJ-CYBMUJFWSA-N -2 3 370.427 1.498 20 0 FDADHL O=C([O-])NCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000740653839 602734014 /nfs/dbraw/zinc/73/40/14/602734014.db2.gz NXTKTYDWBCJSOB-UHFFFAOYSA-N -2 3 368.187 1.678 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000739994227 602837511 /nfs/dbraw/zinc/83/75/11/602837511.db2.gz CCKYWBAQBXNBAN-LLVKDONJSA-N -2 3 371.415 1.156 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCCN(C(=O)[O-])C1 ZINC000740247099 602869865 /nfs/dbraw/zinc/86/98/65/602869865.db2.gz UYUDSTPUGGQPLB-VIFPVBQESA-N -2 3 350.828 1.193 20 0 FDADHL COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000739968132 602887704 /nfs/dbraw/zinc/88/77/04/602887704.db2.gz KLBXYEZOQVRGIQ-AWEZNQCLSA-N -2 3 368.353 1.823 20 0 FDADHL COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000739968132 602887707 /nfs/dbraw/zinc/88/77/07/602887707.db2.gz KLBXYEZOQVRGIQ-AWEZNQCLSA-N -2 3 368.353 1.823 20 0 FDADHL O=C([O-])N1CCc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000740450985 602925413 /nfs/dbraw/zinc/92/54/13/602925413.db2.gz NEXVMOJEVGDWBF-UHFFFAOYSA-N -2 3 373.340 1.827 20 0 FDADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000831883376 603110673 /nfs/dbraw/zinc/11/06/73/603110673.db2.gz NYHVYOJBYDSYPO-UHFFFAOYSA-N -2 3 352.334 1.772 20 0 FDADHL COCCN(CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1)C(=O)[O-] ZINC000828979814 603473097 /nfs/dbraw/zinc/47/30/97/603473097.db2.gz MVYAKNYPOOOAIR-UHFFFAOYSA-N -2 3 361.354 1.689 20 0 FDADHL O=C([N-]OCc1cccnc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826449593 607632826 /nfs/dbraw/zinc/63/28/26/607632826.db2.gz ACNLRJYXXWMUKC-UHFFFAOYSA-N -2 3 373.760 1.102 20 0 FDADHL O=C([N-]OCc1cccnc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826449593 607632827 /nfs/dbraw/zinc/63/28/27/607632827.db2.gz ACNLRJYXXWMUKC-UHFFFAOYSA-N -2 3 373.760 1.102 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c([O-])c1 ZINC000830217417 603910909 /nfs/dbraw/zinc/91/09/09/603910909.db2.gz WHGRZXCOOXGBML-OCCSQVGLSA-N -2 3 363.414 1.373 20 0 FDADHL O=C([O-])N1CCN(CCC[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000832031600 603913518 /nfs/dbraw/zinc/91/35/18/603913518.db2.gz SMQVPYLAVRTFML-UHFFFAOYSA-N -2 3 367.427 1.397 20 0 FDADHL O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000831797702 603960346 /nfs/dbraw/zinc/96/03/46/603960346.db2.gz QODNOQGIMIVTBT-UHFFFAOYSA-N -2 3 351.318 1.863 20 0 FDADHL COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000828646231 604004163 /nfs/dbraw/zinc/00/41/63/604004163.db2.gz GWYGBMYOTHGEFD-NSHDSACASA-N -2 3 365.386 1.192 20 0 FDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000776452472 604409508 /nfs/dbraw/zinc/40/95/08/604409508.db2.gz ZKKKWGRAZCJJEH-ZCFIWIBFSA-N -2 3 370.196 1.596 20 0 FDADHL CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329707 605031006 /nfs/dbraw/zinc/03/10/06/605031006.db2.gz XDUIRIBMODXXDO-ZETCQYMHSA-N -2 3 370.221 1.426 20 0 FDADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826323427 607776734 /nfs/dbraw/zinc/77/67/34/607776734.db2.gz DFJQVNIYTWBQRJ-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OC[C@@H](C)NC(=O)[O-])C2)cc1 ZINC000833903212 605398996 /nfs/dbraw/zinc/39/89/96/605398996.db2.gz BTAAAMFTVDPNIF-UKRRQHHQSA-N -2 3 363.414 1.551 20 0 FDADHL CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000833440732 605412402 /nfs/dbraw/zinc/41/24/02/605412402.db2.gz MTPJVELYMVTHBW-UHFFFAOYSA-N -2 3 374.415 1.704 20 0 FDADHL O=C([O-])NCCOc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000834244705 605571746 /nfs/dbraw/zinc/57/17/46/605571746.db2.gz NRXHYBNPWJBIHS-UHFFFAOYSA-N -2 3 373.365 1.407 20 0 FDADHL C[C@@]1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCCN(C(=O)[O-])C1 ZINC000833822730 605859130 /nfs/dbraw/zinc/85/91/30/605859130.db2.gz VMLBPPIRXJMOCS-OAHLLOKOSA-N -2 3 354.384 1.328 20 0 FDADHL COc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885087 605915277 /nfs/dbraw/zinc/91/52/77/605915277.db2.gz DCAAEZMDDTWOIF-WDEREUQCSA-N -2 3 352.387 1.918 20 0 FDADHL C[C@H](C(=O)Nc1n[n-]c(SCCO)n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833788591 605950856 /nfs/dbraw/zinc/95/08/56/605950856.db2.gz BEOBEKUESBOGNA-GXSJLCMTSA-N -2 3 365.415 1.473 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CC12CCCC2 ZINC000823284058 606157623 /nfs/dbraw/zinc/15/76/23/606157623.db2.gz AYYZYXIFZZPJAN-CYBMUJFWSA-N -2 3 361.427 1.393 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC12CCCC2 ZINC000823284058 606157625 /nfs/dbraw/zinc/15/76/25/606157625.db2.gz AYYZYXIFZZPJAN-CYBMUJFWSA-N -2 3 361.427 1.393 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589403 606396519 /nfs/dbraw/zinc/39/65/19/606396519.db2.gz YHMIWBBOQMGRAC-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589403 606396521 /nfs/dbraw/zinc/39/65/21/606396521.db2.gz YHMIWBBOQMGRAC-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000821548131 606468694 /nfs/dbraw/zinc/46/86/94/606468694.db2.gz IMAXUWOHNVQFJR-UHFFFAOYSA-N -2 3 351.417 1.390 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000821548131 606468696 /nfs/dbraw/zinc/46/86/96/606468696.db2.gz IMAXUWOHNVQFJR-UHFFFAOYSA-N -2 3 351.417 1.390 20 0 FDADHL CCCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821133965 606708307 /nfs/dbraw/zinc/70/83/07/606708307.db2.gz JYTRNOQXCHKOAZ-UHFFFAOYSA-N -2 3 363.403 1.190 20 0 FDADHL CC(C)OCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820141770 606882226 /nfs/dbraw/zinc/88/22/26/606882226.db2.gz ACRGIXVPZUIPGI-UHFFFAOYSA-N -2 3 361.374 1.238 20 0 FDADHL CSCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821960854 606892500 /nfs/dbraw/zinc/89/25/00/606892500.db2.gz DWBJBFHOWUUTBF-UHFFFAOYSA-N -2 3 363.415 1.566 20 0 FDADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823589162 607003287 /nfs/dbraw/zinc/00/32/87/607003287.db2.gz QOXVDGXZAPQGND-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823589162 607003289 /nfs/dbraw/zinc/00/32/89/607003289.db2.gz QOXVDGXZAPQGND-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000822978579 607094294 /nfs/dbraw/zinc/09/42/94/607094294.db2.gz MONBDJJYFUVEKI-UHFFFAOYSA-N -2 3 363.424 1.366 20 0 FDADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000822978579 607094295 /nfs/dbraw/zinc/09/42/95/607094295.db2.gz MONBDJJYFUVEKI-UHFFFAOYSA-N -2 3 363.424 1.366 20 0 FDADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(F)(F)F ZINC000820033823 607099597 /nfs/dbraw/zinc/09/95/97/607099597.db2.gz YFTVLFKZSKXPQJ-NSHDSACASA-N -2 3 359.308 1.880 20 0 FDADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(F)(F)F ZINC000820033823 607099598 /nfs/dbraw/zinc/09/95/98/607099598.db2.gz YFTVLFKZSKXPQJ-NSHDSACASA-N -2 3 359.308 1.880 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000820532996 607105921 /nfs/dbraw/zinc/10/59/21/607105921.db2.gz ALWIEJWCHXPZRN-LBPRGKRZSA-N -2 3 373.413 1.880 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000820532996 607105923 /nfs/dbraw/zinc/10/59/23/607105923.db2.gz ALWIEJWCHXPZRN-LBPRGKRZSA-N -2 3 373.413 1.880 20 0 FDADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826323427 607776733 /nfs/dbraw/zinc/77/67/33/607776733.db2.gz DFJQVNIYTWBQRJ-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000826322266 608107052 /nfs/dbraw/zinc/10/70/52/608107052.db2.gz FMCLELZAEIEZBP-UHFFFAOYSA-N -2 3 356.371 1.247 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231902 608141910 /nfs/dbraw/zinc/14/19/10/608141910.db2.gz MNLPKHAZWUBFRT-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231902 608141911 /nfs/dbraw/zinc/14/19/11/608141911.db2.gz MNLPKHAZWUBFRT-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000826242906 608269718 /nfs/dbraw/zinc/26/97/18/608269718.db2.gz LONDORJUPQNDOB-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000826242906 608269720 /nfs/dbraw/zinc/26/97/20/608269720.db2.gz LONDORJUPQNDOB-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)cc12 ZINC000826280011 608415412 /nfs/dbraw/zinc/41/54/12/608415412.db2.gz KWNVFNOKYDSACJ-UHFFFAOYSA-N -2 3 370.398 1.556 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)nc1C ZINC000825805266 608491668 /nfs/dbraw/zinc/49/16/68/608491668.db2.gz ZWCXUOXBMMPVQV-UHFFFAOYSA-N -2 3 367.822 1.846 20 0 FDADHL O=S(=O)([N-]c1ccon1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826493039 609384264 /nfs/dbraw/zinc/38/42/64/609384264.db2.gz PSVVVLKNIINJRW-UHFFFAOYSA-N -2 3 371.176 1.418 20 0 FDADHL O=S(=O)([N-]c1ccon1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826493039 609384266 /nfs/dbraw/zinc/38/42/66/609384266.db2.gz PSVVVLKNIINJRW-UHFFFAOYSA-N -2 3 371.176 1.418 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)n1 ZINC000826357811 609456499 /nfs/dbraw/zinc/45/64/99/609456499.db2.gz RSIXSMVNYCQWBA-UHFFFAOYSA-N -2 3 372.370 1.056 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1-c1nnn[n-]1 ZINC000826304109 609457732 /nfs/dbraw/zinc/45/77/32/609457732.db2.gz WSCOAZPPGZWMSD-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1-c1nn[n-]n1 ZINC000826304109 609457733 /nfs/dbraw/zinc/45/77/33/609457733.db2.gz WSCOAZPPGZWMSD-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826330049 609528997 /nfs/dbraw/zinc/52/89/97/609528997.db2.gz CTQQCSLLTJELCJ-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826330049 609529000 /nfs/dbraw/zinc/52/90/00/609529000.db2.gz CTQQCSLLTJELCJ-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL COc1cc(O)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826181115 609530526 /nfs/dbraw/zinc/53/05/26/609530526.db2.gz LNRRTOGSLMHBDY-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COc1cc(O)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826181115 609530528 /nfs/dbraw/zinc/53/05/28/609530528.db2.gz LNRRTOGSLMHBDY-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000275083262 674605491 /nfs/dbraw/zinc/60/54/91/674605491.db2.gz ZEABPNHPTVMPQF-LBPRGKRZSA-N -2 3 361.391 1.780 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000277958202 675069976 /nfs/dbraw/zinc/06/99/76/675069976.db2.gz HSDMBCLJWYBCAB-JTQLQIEISA-N -2 3 369.317 1.179 20 0 FDADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(I)cc1 ZINC000044291208 670956546 /nfs/dbraw/zinc/95/65/46/670956546.db2.gz FGPIIMLOXOWHPV-UHFFFAOYSA-N -2 3 368.196 1.257 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000048509490 671074125 /nfs/dbraw/zinc/07/41/25/671074125.db2.gz FENXXIUPCSYBDZ-UHFFFAOYSA-N -2 3 360.395 1.287 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000064375685 671325108 /nfs/dbraw/zinc/32/51/08/671325108.db2.gz NMBQZCKGIGQQAN-UHFFFAOYSA-N -2 3 359.448 1.777 20 0 FDADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1 ZINC000068715971 671371582 /nfs/dbraw/zinc/37/15/82/671371582.db2.gz NARAWQKWXARLSN-UHFFFAOYSA-N -2 3 363.395 1.272 20 0 FDADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000262660807 672826705 /nfs/dbraw/zinc/82/67/05/672826705.db2.gz LRPGEIXFYYLBMC-SECBINFHSA-N -2 3 351.222 1.766 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)o1 ZINC000263018845 672858667 /nfs/dbraw/zinc/85/86/67/672858667.db2.gz XUTYVWNRQFDWRO-LLVKDONJSA-N -2 3 358.416 1.213 20 0 FDADHL COCc1nc(=NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s[n-]1 ZINC000372734223 677969443 /nfs/dbraw/zinc/96/94/43/677969443.db2.gz BGUMSXZDYDYFGV-NSHDSACASA-N -2 3 362.411 1.055 20 0 FDADHL CCCOc1cccnc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000429594676 681041016 /nfs/dbraw/zinc/04/10/16/681041016.db2.gz RSQOBECQBMWLHJ-UHFFFAOYSA-N -2 3 357.417 1.346 20 0 FDADHL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ncccc1[O-] ZINC000451492631 682888107 /nfs/dbraw/zinc/88/81/07/682888107.db2.gz JXAHZYSEYSBFHZ-SNVBAGLBSA-N -2 3 356.322 1.091 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000466348625 684809595 /nfs/dbraw/zinc/80/95/95/684809595.db2.gz ZLMXOXYEGBSVIU-UHFFFAOYSA-N -2 3 362.363 1.825 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000484553206 686604205 /nfs/dbraw/zinc/60/42/05/686604205.db2.gz CAXGEQCWTOKKAI-UHFFFAOYSA-N -2 3 374.321 1.667 20 0 FDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC000516276720 689938322 /nfs/dbraw/zinc/93/83/22/689938322.db2.gz JXCVTPMGXQFOTK-HNNXBMFYSA-N -2 3 357.359 1.792 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3O)ccc21 ZINC000522960351 694507371 /nfs/dbraw/zinc/50/73/71/694507371.db2.gz GFJGYKBEKMOYOG-UHFFFAOYSA-N -2 3 352.755 1.730 20 0 FDADHL COc1cc[n-]c(=NNC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000046365403 773841877 /nfs/dbraw/zinc/84/18/77/773841877.db2.gz NEYNEXOLXGSDPM-UHFFFAOYSA-N -2 3 372.410 1.391 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCC1 ZINC000663257557 806226125 /nfs/dbraw/zinc/22/61/25/806226125.db2.gz XJBLXHYYGWQZDC-SECBINFHSA-N -2 3 352.334 1.880 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(-c2ccccc2)s1 ZINC000663285005 806329737 /nfs/dbraw/zinc/32/97/37/806329737.db2.gz BJADBNYRGLEYGR-NSHDSACASA-N -2 3 356.425 1.232 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663291370 806348998 /nfs/dbraw/zinc/34/89/98/806348998.db2.gz NIFKEFIFZOAWLS-LBPRGKRZSA-N -2 3 370.452 1.887 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1OC ZINC000663095238 805422296 /nfs/dbraw/zinc/42/22/96/805422296.db2.gz XVNMALWBJZCFCQ-INIZCTEOSA-N -2 3 370.427 1.896 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000663429128 806998536 /nfs/dbraw/zinc/99/85/36/806998536.db2.gz ZPNSETFJNIUYME-UHFFFAOYSA-N -2 3 372.443 1.602 20 0 FDADHL COc1ccc(-n2cc([O-])c(C(=O)NC3(c4nnn[n-]4)CCCC3)n2)cc1 ZINC000500587067 809255277 /nfs/dbraw/zinc/25/52/77/809255277.db2.gz DWIKAWGMMYSDBN-UHFFFAOYSA-N -2 3 369.385 1.299 20 0 FDADHL COc1ccc(-n2cc([O-])c(C(=O)NC3(c4nn[n-]n4)CCCC3)n2)cc1 ZINC000500587067 809255282 /nfs/dbraw/zinc/25/52/82/809255282.db2.gz DWIKAWGMMYSDBN-UHFFFAOYSA-N -2 3 369.385 1.299 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000512976362 810470334 /nfs/dbraw/zinc/47/03/34/810470334.db2.gz VWEQNXPMQWNNNW-HNNXBMFYSA-N -2 3 362.345 1.548 20 0 FDADHL COC(=O)c1nn(C)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000426898025 818599867 /nfs/dbraw/zinc/59/98/67/818599867.db2.gz KATPYOAOVSXWRW-ALCCZGGFSA-N -2 3 360.370 1.507 20 0 FDADHL Cc1nc(C=Cc2cnnn2Cc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000426897465 818600120 /nfs/dbraw/zinc/60/01/20/818600120.db2.gz GXAWOEFTWFOESY-BQYQJAHWSA-N -2 3 351.366 1.928 20 0 FDADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)CC(=O)[O-] ZINC000666157580 832346463 /nfs/dbraw/zinc/34/64/63/832346463.db2.gz HMZFCOJWFUAMDT-MRVPVSSYSA-N -2 3 374.390 1.676 20 0 FDADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000899951849 846932330 /nfs/dbraw/zinc/93/23/30/846932330.db2.gz YYZXGWHHQNAEDK-RDDDGLTNSA-N -2 3 353.318 1.262 20 0 FDADHL CO[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@](C)(C(=O)[O-])C1 ZINC000910263062 857046442 /nfs/dbraw/zinc/04/64/42/857046442.db2.gz GGOFPLGRCRJQHG-FZMZJTMJSA-N -2 3 358.188 1.859 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NNC(=O)c1ccccc1[O-] ZINC000064354358 888077183 /nfs/dbraw/zinc/07/71/83/888077183.db2.gz PDKWXUXDUVVPDI-UHFFFAOYSA-N -2 3 369.381 1.151 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000923162506 888229869 /nfs/dbraw/zinc/22/98/69/888229869.db2.gz YEUMEUGDCMCVNB-XNRPHZJLSA-N -2 3 351.374 1.945 20 0 FDADHL COC(=O)CCCS(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000094573802 909938721 /nfs/dbraw/zinc/93/87/21/909938721.db2.gz MDUTZCORNXZIKI-UHFFFAOYSA-N -2 3 352.206 1.850 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)c[n-]1 ZINC000789741143 933173986 /nfs/dbraw/zinc/17/39/86/933173986.db2.gz XBKBGIKIICEPED-UHFFFAOYSA-N -2 3 371.346 1.313 20 0 FDADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247830 970792120 /nfs/dbraw/zinc/79/21/20/970792120.db2.gz XRAVHUIOANOQFE-UHFFFAOYSA-N -2 3 351.327 1.283 20 0 FDADHL Cc1nn(CC(F)(F)F)c(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001195589676 971061300 /nfs/dbraw/zinc/06/13/00/971061300.db2.gz MTJYFJPTKKGDIJ-UHFFFAOYSA-N -2 3 357.269 1.750 20 0 FDADHL CCCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825266800 947135364 /nfs/dbraw/zinc/13/53/64/947135364.db2.gz HNZQQCAKLFAUBW-DGCLKSJQSA-N -2 3 361.402 1.784 20 0 FDADHL CCCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825266800 947135371 /nfs/dbraw/zinc/13/53/71/947135371.db2.gz HNZQQCAKLFAUBW-DGCLKSJQSA-N -2 3 361.402 1.784 20 0 FDADHL C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844899061 948487667 /nfs/dbraw/zinc/48/76/67/948487667.db2.gz QPEWQNUSGORILH-DTWKUNHWSA-N -2 3 365.354 1.135 20 0 FDADHL CN(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(N=O)c(=O)[n-]1 ZINC001196205206 971539843 /nfs/dbraw/zinc/53/98/43/971539843.db2.gz NJRFWVFUQHGNHW-UHFFFAOYSA-N -2 3 358.767 1.495 20 0 FDADHL O=C(Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1s[n-]c(=O)c1Cl ZINC001570960750 950022383 /nfs/dbraw/zinc/02/23/83/950022383.db2.gz YPAPITCQNSEGOJ-UHFFFAOYSA-N -2 3 352.767 1.535 20 0 FDADHL O=S(=O)(NCc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1[O-] ZINC001571027130 951488753 /nfs/dbraw/zinc/48/87/53/951488753.db2.gz HCNSTTGOXHDGOG-UHFFFAOYSA-N -2 3 366.790 1.099 20 0 FDADHL O=S(=O)(NCc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1[O-] ZINC001571027130 951488764 /nfs/dbraw/zinc/48/87/64/951488764.db2.gz HCNSTTGOXHDGOG-UHFFFAOYSA-N -2 3 366.790 1.099 20 0 FDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846712899 951528452 /nfs/dbraw/zinc/52/84/52/951528452.db2.gz CQMWQTWBFVTPRW-GFCCVEGCSA-N -2 3 358.391 1.202 20 0 FDADHL O=C([O-])CCc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC001595066033 951545879 /nfs/dbraw/zinc/54/58/79/951545879.db2.gz AXGZFHVUHAXEOR-UHFFFAOYSA-N -2 3 371.393 1.961 20 0 FDADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)c1 ZINC001593639190 953634391 /nfs/dbraw/zinc/63/43/91/953634391.db2.gz XQHZDPSECDGVFN-GBRVTDDUSA-N -2 3 361.394 1.681 20 0 FDADHL O=C([O-])[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)nc2F)c2ccccc21 ZINC001594903789 954655172 /nfs/dbraw/zinc/65/51/72/954655172.db2.gz XCQJILZDBDBGIE-GHMZBOCLSA-N -2 3 354.334 1.951 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC001593798892 954841565 /nfs/dbraw/zinc/84/15/65/954841565.db2.gz GMPDRMJARFGXOP-CYBMUJFWSA-N -2 3 370.358 1.191 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCCCC(=O)[O-])CCCC1 ZINC001594499611 955315288 /nfs/dbraw/zinc/31/52/88/955315288.db2.gz ZTMVMIGKLVZOHS-UHFFFAOYSA-N -2 3 374.415 1.291 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1F ZINC000823338586 955526257 /nfs/dbraw/zinc/52/62/57/955526257.db2.gz TXJFAWQDIIPRHY-INIZCTEOSA-N -2 3 372.418 1.592 20 0 FDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000846715178 955724073 /nfs/dbraw/zinc/72/40/73/955724073.db2.gz SLOGIEBSCPJQNM-GFCCVEGCSA-N -2 3 374.434 1.838 20 0 FDADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001594569599 955866957 /nfs/dbraw/zinc/86/69/57/955866957.db2.gz VDIYYYRGSPXBBN-UHFFFAOYSA-N -2 3 352.310 1.902 20 0 FDADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC001594728147 957024036 /nfs/dbraw/zinc/02/40/36/957024036.db2.gz XPWRDIMVYJGQAH-GJZGRUSLSA-N -2 3 350.330 1.613 20 0 FDADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000389843607 972251534 /nfs/dbraw/zinc/25/15/34/972251534.db2.gz LRMVCKJIEVFNMO-UHFFFAOYSA-N -2 3 365.198 1.299 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000048818510 957463044 /nfs/dbraw/zinc/46/30/44/957463044.db2.gz GIMQFWUOHDCXGE-UHFFFAOYSA-N -2 3 360.189 1.349 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001588520676 958837528 /nfs/dbraw/zinc/83/75/28/958837528.db2.gz YBNMCWVHEKOZPS-HLZQHVJHSA-N -2 3 362.382 1.493 20 0 FDADHL C[S@](=O)(=NS(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC001594162318 958910606 /nfs/dbraw/zinc/91/06/06/958910606.db2.gz OECHECVMDURFJH-XSTCUHSRSA-N -2 3 366.505 1.895 20 0 FDADHL C[C@H](C(=O)[O-])C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001588576785 959238235 /nfs/dbraw/zinc/23/82/35/959238235.db2.gz YJHJGZIPFVGFHP-ZETCQYMHSA-N -2 3 357.775 1.555 20 0 FDADHL C[C@H](C(=O)[O-])C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001588576785 959238247 /nfs/dbraw/zinc/23/82/47/959238247.db2.gz YJHJGZIPFVGFHP-ZETCQYMHSA-N -2 3 357.775 1.555 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604931829 972494037 /nfs/dbraw/zinc/49/40/37/972494037.db2.gz FWQTZZKNDOYIAH-UHFFFAOYSA-N -2 3 364.379 1.774 20 0 FDADHL CC(C)[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(N)=O ZINC001259222238 960685290 /nfs/dbraw/zinc/68/52/90/960685290.db2.gz NLMYDUFLXMOZKC-ZDUSSCGKSA-N -2 3 366.798 1.356 20 0 FDADHL CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181236296 960713342 /nfs/dbraw/zinc/71/33/42/960713342.db2.gz AGMDNBSFZZSVII-LBPRGKRZSA-N -2 3 366.395 1.857 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H](C(=O)[O-])C3CCCC3)C2)n1 ZINC001574307330 960747278 /nfs/dbraw/zinc/74/72/78/960747278.db2.gz ZSJKGQZZNMBDCS-DZGCQCFKSA-N -2 3 362.430 1.467 20 0 FDADHL COC(=O)c1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c([O-])c(OC)c1 ZINC001574083436 962307282 /nfs/dbraw/zinc/30/72/82/962307282.db2.gz PIKLWWQBVMPMQU-WDEREUQCSA-N -2 3 367.354 1.396 20 0 FDADHL CC(=O)N[C@H](CCc1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001182795250 962524626 /nfs/dbraw/zinc/52/46/26/962524626.db2.gz YDKBMQAZZVXFOM-OAHLLOKOSA-N -2 3 356.359 1.198 20 0 FDADHL COc1cnc([C@H]2CCCN2Cc2nc3c(c(=O)[n-]2)COCC3)[n-]c1=O ZINC001176808301 963553050 /nfs/dbraw/zinc/55/30/50/963553050.db2.gz HOBRUVASTDIQML-GFCCVEGCSA-N -2 3 359.386 1.096 20 0 FDADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cn2n1 ZINC001185567276 963981131 /nfs/dbraw/zinc/98/11/31/963981131.db2.gz YKXLGWDFVJJRNI-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3s[n-]c(=O)c3Cl)C2)n1 ZINC001177879237 964030072 /nfs/dbraw/zinc/03/00/72/964030072.db2.gz CLUAVAHOFLNUIZ-MRVPVSSYSA-N -2 3 369.834 1.705 20 0 FDADHL O=C(Cc1csc(Br)n1)NCCCCP(=O)([O-])[O-] ZINC001178293026 964175724 /nfs/dbraw/zinc/17/57/24/964175724.db2.gz PDKVEHPBFWOEAF-UHFFFAOYSA-N -2 3 357.166 1.522 20 0 FDADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776583288 967137729 /nfs/dbraw/zinc/13/77/29/967137729.db2.gz FOFRQZHRMALACN-PSASIEDQSA-N -2 3 351.856 1.940 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1F ZINC000776594719 967288539 /nfs/dbraw/zinc/28/85/39/967288539.db2.gz CCXZKZPALZZCDK-CABCVRRESA-N -2 3 371.361 1.738 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1ccccc1 ZINC000776600544 967403596 /nfs/dbraw/zinc/40/35/96/967403596.db2.gz JLHPMLYBDCOVGV-KBPBESRZSA-N -2 3 373.789 1.944 20 0 FDADHL COCc1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737196 967567249 /nfs/dbraw/zinc/56/72/49/967567249.db2.gz RHWVRZPDYWVVDY-KGLIPLIRSA-N -2 3 374.359 1.929 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000776632613 967701714 /nfs/dbraw/zinc/70/17/14/967701714.db2.gz AKGFEMFAMUCYPP-MRVPVSSYSA-N -2 3 364.807 1.443 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(=O)n(Cc2ccccc2)c1 ZINC001190561028 967950994 /nfs/dbraw/zinc/95/09/94/967950994.db2.gz QZBGSVUDMTYFGO-UHFFFAOYSA-N -2 3 364.338 1.584 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(N2C(=O)C=CC2=O)cc1 ZINC001192619815 969206600 /nfs/dbraw/zinc/20/66/00/969206600.db2.gz BCDIFFSUUNEODK-UHFFFAOYSA-N -2 3 367.298 1.195 20 0 FDADHL Cc1cc(=O)[n-]c(N2CC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC001194802062 970425374 /nfs/dbraw/zinc/42/53/74/970425374.db2.gz KKBSIYUIIFCZED-SNVBAGLBSA-N -2 3 370.381 1.326 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CS1 ZINC000397874384 973030862 /nfs/dbraw/zinc/03/08/62/973030862.db2.gz LBAYBYQECNOTOI-RITPCOANSA-N -2 3 370.246 1.913 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c1 ZINC001604369451 973074455 /nfs/dbraw/zinc/07/44/55/973074455.db2.gz RDBJCMOLRWRFJL-UHFFFAOYSA-N -2 3 359.375 1.596 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001605393802 973367837 /nfs/dbraw/zinc/36/78/37/973367837.db2.gz VZCVLXPFAHOUAF-IAQYHMDHSA-N -2 3 370.409 1.537 20 0 FDADHL COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(=O)[n-]c(Cl)n1 ZINC001198660743 973384574 /nfs/dbraw/zinc/38/45/74/973384574.db2.gz MROUTZOOSBZICZ-UHFFFAOYSA-N -2 3 351.171 1.693 20 0 FDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1=NN(c3ccccc3)[C@H](C(=O)[O-])C1)C2 ZINC001605411200 973416310 /nfs/dbraw/zinc/41/63/10/973416310.db2.gz ZHPDUUJQXWNGGT-HNNXBMFYSA-N -2 3 367.365 1.052 20 0 FDADHL COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001604534682 973502114 /nfs/dbraw/zinc/50/21/14/973502114.db2.gz WTGVYGXLVZLUPV-AWEZNQCLSA-N -2 3 358.188 1.718 20 0 FDADHL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001604534684 973502245 /nfs/dbraw/zinc/50/22/45/973502245.db2.gz WTGVYGXLVZLUPV-CQSZACIVSA-N -2 3 358.188 1.718 20 0 FDADHL Cn1ncc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1Br ZINC001605561925 973799033 /nfs/dbraw/zinc/79/90/33/973799033.db2.gz XRLNREWZBOPPGL-UHFFFAOYSA-N -2 3 354.226 1.106 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1 ZINC000794762858 973828965 /nfs/dbraw/zinc/82/89/65/973828965.db2.gz QBXMUFIIBZSPPU-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC(C(=O)[O-])=NO3)c2)n1 ZINC001603968503 974450979 /nfs/dbraw/zinc/45/09/79/974450979.db2.gz ZSGSTENORDHNOL-CYBMUJFWSA-N -2 3 356.338 1.580 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])ccc1F ZINC001591668935 975426291 /nfs/dbraw/zinc/42/62/91/975426291.db2.gz GLEPRLVLFADHSP-AAEUAGOBSA-N -2 3 372.418 1.496 20 0 FDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC001592415453 978009728 /nfs/dbraw/zinc/00/97/28/978009728.db2.gz BQYYADWVBDSNQT-JTQLQIEISA-N -2 3 371.231 1.776 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000776503662 978731844 /nfs/dbraw/zinc/73/18/44/978731844.db2.gz QEHCHVFSHGWHEE-HZGVNTEJSA-N -2 3 355.199 1.156 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776444220 978749476 /nfs/dbraw/zinc/74/94/76/978749476.db2.gz LJFRJRIZBLKMMY-QMMMGPOBSA-N -2 3 370.196 1.738 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Oc2ccccc2)C(=O)[O-])s1 ZINC000800921327 978848305 /nfs/dbraw/zinc/84/83/05/978848305.db2.gz AWTVEMZXTLQBPH-LLVKDONJSA-N -2 3 356.425 1.516 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776541115 978998226 /nfs/dbraw/zinc/99/82/26/978998226.db2.gz XYTLXRDVIALCMZ-XCBNKYQSSA-N -2 3 369.226 1.547 20 0 FDADHL C[C@H](CO[N-]C(=O)Cc1ccccc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592781217 979414565 /nfs/dbraw/zinc/41/45/65/979414565.db2.gz ULZFVCVYQQVLTN-LLVKDONJSA-N -2 3 352.387 1.888 20 0 FDADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000848692336 979476820 /nfs/dbraw/zinc/47/68/20/979476820.db2.gz LXQVUTANOZCPJU-TWGQIWQCSA-N -2 3 365.415 1.004 20 0 FDADHL CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826230001 980264215 /nfs/dbraw/zinc/26/42/15/980264215.db2.gz ZMFDGXDGHABTAK-UHFFFAOYSA-N -2 3 371.835 1.766 20 0 FDADHL CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826230001 980264223 /nfs/dbraw/zinc/26/42/23/980264223.db2.gz ZMFDGXDGHABTAK-UHFFFAOYSA-N -2 3 371.835 1.766 20 0 FDADHL CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595529400 981363693 /nfs/dbraw/zinc/36/36/93/981363693.db2.gz PXBJIRVPFKAVIH-UHFFFAOYSA-N -2 3 367.383 1.590 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595538851 981394577 /nfs/dbraw/zinc/39/45/77/981394577.db2.gz WRIMHQACCLYQEY-PSASIEDQSA-N -2 3 364.445 1.554 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1-c1nn[n-]n1 ZINC000826299870 981924651 /nfs/dbraw/zinc/92/46/51/981924651.db2.gz ZDDSJJAHKVQJCG-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CCCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001595640337 981961439 /nfs/dbraw/zinc/96/14/39/981961439.db2.gz FHRQHFMUUUAMNM-LAJNKCICSA-N -2 3 354.494 1.895 20 0 FDADHL CCCCC[C@@H](C)NC(=O)CN1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666008 982095645 /nfs/dbraw/zinc/09/56/45/982095645.db2.gz BPAXLCCMGGXZIN-VUULHSHRSA-N -2 3 354.447 1.569 20 0 FDADHL CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001596600601 984554547 /nfs/dbraw/zinc/55/45/47/984554547.db2.gz AZANFEJOXPILHK-QMMMGPOBSA-N -2 3 365.354 1.673 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(F)c1 ZINC001596726512 984983598 /nfs/dbraw/zinc/98/35/98/984983598.db2.gz UCCQFVOVEAFQCC-JTQLQIEISA-N -2 3 351.327 1.094 20 0 FDADHL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC001599948967 985575294 /nfs/dbraw/zinc/57/52/94/985575294.db2.gz UOESQDSWLDRNBD-MRVPVSSYSA-N -3 3 366.399 1.370 20 0 FDADHL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC001599948967 985575300 /nfs/dbraw/zinc/57/53/00/985575300.db2.gz UOESQDSWLDRNBD-MRVPVSSYSA-N -3 3 366.399 1.370 20 0 FDADHL C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2occc2C(=O)[O-])C[C@H](C)O1 ZINC001594527123 986068886 /nfs/dbraw/zinc/06/88/86/986068886.db2.gz BRTKTNDVCVHAOP-TXEJJXNPSA-N -2 3 360.432 1.146 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)c2cc(C(=O)[O-])co2)s1 ZINC001589839889 988328000 /nfs/dbraw/zinc/32/80/00/988328000.db2.gz LLZAJZTWYHEXQM-UHFFFAOYSA-N -2 3 373.412 1.763 20 0 FDADHL CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001597595408 988440220 /nfs/dbraw/zinc/44/02/20/988440220.db2.gz NSSJWAAMRMOLBK-UHFFFAOYSA-N -2 3 352.368 1.457 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)NCCc1ccccc1 ZINC001599842741 988873158 /nfs/dbraw/zinc/87/31/58/988873158.db2.gz MHYJNAORZMHPGA-LLVKDONJSA-N -2 3 366.395 1.004 20 0 FDADHL C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C[C@H]1C(=O)[O-] ZINC001599863453 989205877 /nfs/dbraw/zinc/20/58/77/989205877.db2.gz HGLYKHDRXUGJSX-LDYMZIIASA-N -2 3 360.819 1.504 20 0 FDADHL CC(C)(C)OC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001590359973 989809564 /nfs/dbraw/zinc/80/95/64/989809564.db2.gz MXOMJTXWEBPJTC-OCAPTIKFSA-N -2 3 362.429 1.240 20 0 FDADHL CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001590420613 989964671 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FDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593327395 994888483 /nfs/dbraw/zinc/88/84/83/994888483.db2.gz ZOEDTULOEVRGEP-RITPCOANSA-N -3 3 353.755 1.565 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1(CO)CC1 ZINC001593331011 994898472 /nfs/dbraw/zinc/89/84/72/994898472.db2.gz QHTUZCWQWRQMGZ-SSDOTTSWSA-N -2 3 351.783 1.617 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001593417441 995204763 /nfs/dbraw/zinc/20/47/63/995204763.db2.gz TVCGNLMLOXZJNE-CYBMUJFWSA-N -2 3 351.783 1.617 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1F ZINC001593432755 995261199 /nfs/dbraw/zinc/26/11/99/995261199.db2.gz QJFHETKYEXXDBR-LKFCYVNXSA-N -2 3 354.359 1.319 20 0 FDADHL C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001593705233 996188872 /nfs/dbraw/zinc/18/88/72/996188872.db2.gz HEMPQBDERISARY-ONGXEEELSA-N -2 3 356.425 1.284 20 0 FDADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)[C@H]2C[C@H]21 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O=C([O-])[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000408513515 570564136 /nfs/dbraw/zinc/56/41/36/570564136.db2.gz FRGPMCKNLIJHJK-QMMMGPOBSA-N -2 3 365.183 1.837 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2c[nH]c3ncccc23)cccc1-c1nn[n-]n1 ZINC000822121266 607254975 /nfs/dbraw/zinc/25/49/75/607254975.db2.gz CENJECDZAGZUJZ-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736461851 598977272 /nfs/dbraw/zinc/97/72/72/598977272.db2.gz ZFQIMHMGCGMORW-LLVKDONJSA-N -2 3 367.431 1.185 20 0 FDADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736461851 598977273 /nfs/dbraw/zinc/97/72/73/598977273.db2.gz ZFQIMHMGCGMORW-LLVKDONJSA-N -2 3 367.431 1.185 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738337850 599198334 /nfs/dbraw/zinc/19/83/34/599198334.db2.gz AHBZTXKCIWDKTG-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738337850 599198335 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FDADHL O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738345949 598382200 /nfs/dbraw/zinc/38/22/00/598382200.db2.gz SQTPSBXOEBKRES-UHFFFAOYSA-N -2 3 369.366 1.718 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000735974031 598413985 /nfs/dbraw/zinc/41/39/85/598413985.db2.gz FFYJPMASUHEOIB-MRVPVSSYSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000735974031 598413987 /nfs/dbraw/zinc/41/39/87/598413987.db2.gz FFYJPMASUHEOIB-MRVPVSSYSA-N -2 3 369.834 1.761 20 0 FDADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1 ZINC000738342165 598595887 /nfs/dbraw/zinc/59/58/87/598595887.db2.gz NHWZRZLNWMNJEK-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1 ZINC000738342165 598595888 /nfs/dbraw/zinc/59/58/88/598595888.db2.gz NHWZRZLNWMNJEK-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736058368 598750101 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C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@H]1C(=O)[O-] ZINC000828394082 601691325 /nfs/dbraw/zinc/69/13/25/601691325.db2.gz NTXBESNTEPXTBA-JOYOIKCWSA-N -2 3 370.402 1.059 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1F ZINC000826980528 601715235 /nfs/dbraw/zinc/71/52/35/601715235.db2.gz NHINPJGYEVARDS-PWSUYJOCSA-N -2 3 372.418 1.305 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826304123 607533453 /nfs/dbraw/zinc/53/34/53/607533453.db2.gz XFMVHOFRAQHVQQ-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)o1 ZINC000833323624 601960499 /nfs/dbraw/zinc/96/04/99/601960499.db2.gz UKFZFVZDLFXHNZ-UHFFFAOYSA-N -2 3 365.392 1.975 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(Cl)c1=O ZINC000760363954 602105699 /nfs/dbraw/zinc/10/56/99/602105699.db2.gz ARNGFXUUBJDMQQ-UHFFFAOYSA-N -2 3 360.750 1.677 20 0 FDADHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000758448667 602121223 /nfs/dbraw/zinc/12/12/23/602121223.db2.gz YMRSNGIHBUTNDM-UHFFFAOYSA-N -2 3 374.777 1.985 20 0 FDADHL COCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000397900518 602161774 /nfs/dbraw/zinc/16/17/74/602161774.db2.gz BGPPYSXWFWJLQD-UHFFFAOYSA-N -2 3 370.221 1.834 20 0 FDADHL O=C([O-])c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000642222192 602196236 /nfs/dbraw/zinc/19/62/36/602196236.db2.gz XBJGWCOWAIJVBA-UHFFFAOYSA-N -2 3 355.350 1.084 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCC3)C2)cc1C(=O)[O-] ZINC000833028731 602330992 /nfs/dbraw/zinc/33/09/92/602330992.db2.gz PNINRNCJOXTCDK-LBPRGKRZSA-N -2 3 370.427 1.356 20 0 FDADHL CCN(CCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC000739424539 602472377 /nfs/dbraw/zinc/47/23/77/602472377.db2.gz NILVAUDKMXQOQJ-UHFFFAOYSA-N -2 3 373.413 1.189 20 0 FDADHL O=C([O-])N1[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@H]2CCCC[C@@H]21 ZINC000740445924 602501048 /nfs/dbraw/zinc/50/10/48/602501048.db2.gz ZCGIMTRWQGDKOQ-ILXRZTDVSA-N -2 3 370.413 1.794 20 0 FDADHL O=C([O-])N1[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@H]2CCCC[C@@H]21 ZINC000740445924 602501051 /nfs/dbraw/zinc/50/10/51/602501051.db2.gz ZCGIMTRWQGDKOQ-ILXRZTDVSA-N -2 3 370.413 1.794 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)c([O-])c1 ZINC000740106118 602575279 /nfs/dbraw/zinc/57/52/79/602575279.db2.gz GIWUITAQLVQLCA-CYBMUJFWSA-N -2 3 363.414 1.279 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739997960 602706685 /nfs/dbraw/zinc/70/66/85/602706685.db2.gz ZEGOCDVVRXMNJO-UHFFFAOYSA-N -2 3 370.412 1.535 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C(C)C)c1 ZINC000739793433 602786223 /nfs/dbraw/zinc/78/62/23/602786223.db2.gz OCBHEAHAPWTMDL-VIFPVBQESA-N -2 3 350.418 1.105 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000828700764 602952077 /nfs/dbraw/zinc/95/20/77/602952077.db2.gz ZBUAOAKFDPVTSB-ZANVPECISA-N -2 3 361.358 1.104 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)n[n-]1 ZINC000828700764 602952079 /nfs/dbraw/zinc/95/20/79/602952079.db2.gz ZBUAOAKFDPVTSB-ZANVPECISA-N -2 3 361.358 1.104 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc1OC ZINC000739517633 603027458 /nfs/dbraw/zinc/02/74/58/603027458.db2.gz ZMBJGCZVGRJCRE-UHFFFAOYSA-N -2 3 373.431 1.832 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@](C)(CNC(=O)[O-])C(C)C ZINC000740245144 603085850 /nfs/dbraw/zinc/08/58/50/603085850.db2.gz GGAUUHAFRAEYIC-LBPRGKRZSA-N -2 3 352.844 1.343 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830862133 603127383 /nfs/dbraw/zinc/12/73/83/603127383.db2.gz UEJCZDXTQBFVPD-RKDXNWHRSA-N -2 3 350.828 1.097 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830862129 603127410 /nfs/dbraw/zinc/12/74/10/603127410.db2.gz UEJCZDXTQBFVPD-DTWKUNHWSA-N -2 3 350.828 1.097 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)NC(=O)[O-])cc1OC ZINC000827480271 603374170 /nfs/dbraw/zinc/37/41/70/603374170.db2.gz KHHRICJGKQEPKP-VIFPVBQESA-N -2 3 359.404 1.442 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)[O-])C2)oc1C ZINC000828760831 603492039 /nfs/dbraw/zinc/49/20/39/603492039.db2.gz ICFDBQYYHRHURI-SNVBAGLBSA-N -2 3 360.388 1.043 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c([O-])c1 ZINC000830217415 603911240 /nfs/dbraw/zinc/91/12/40/603911240.db2.gz WHGRZXCOOXGBML-GXTWGEPZSA-N -2 3 363.414 1.373 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)NCC1CCCCC1 ZINC000826630579 604419687 /nfs/dbraw/zinc/41/96/87/604419687.db2.gz KWWCZFYXUFOJEO-UHFFFAOYSA-N -2 3 372.443 1.731 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833697550 604706652 /nfs/dbraw/zinc/70/66/52/604706652.db2.gz GCAUPYBUOPQZBH-RISCZKNCSA-N -2 3 367.452 1.565 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833738551 604869376 /nfs/dbraw/zinc/86/93/76/604869376.db2.gz ZZAZTAWVZAVLTB-UHFFFAOYSA-N -2 3 374.378 1.885 20 0 FDADHL COc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000832407247 604989025 /nfs/dbraw/zinc/98/90/25/604989025.db2.gz COGGHKXTFXIQTD-AWEZNQCLSA-N -2 3 351.384 1.700 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(Cl)c1 ZINC000833700963 605008819 /nfs/dbraw/zinc/00/88/19/605008819.db2.gz WZHNVFPTLIALNM-UHFFFAOYSA-N -2 3 357.775 1.527 20 0 FDADHL CC(C)(C)c1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2 ZINC000833449388 605202147 /nfs/dbraw/zinc/20/21/47/605202147.db2.gz KKBQZFBCHQJDBA-NSHDSACASA-N -2 3 367.427 1.765 20 0 FDADHL COc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c21 ZINC000833736131 605301603 /nfs/dbraw/zinc/30/16/03/605301603.db2.gz XQHOOEBZJXZSOL-UHFFFAOYSA-N -2 3 364.379 1.989 20 0 FDADHL O=C([O-])N1CCC2(C[C@H]2C(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000834042322 605884528 /nfs/dbraw/zinc/88/45/28/605884528.db2.gz RTQQLVDHXJKWJH-AWEZNQCLSA-N -2 3 361.398 1.018 20 0 FDADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000834181144 605951980 /nfs/dbraw/zinc/95/19/80/605951980.db2.gz DVVCGVQOSNBVOO-VHSXEESVSA-N -2 3 357.436 1.434 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000821684288 606145405 /nfs/dbraw/zinc/14/54/05/606145405.db2.gz WZIBQFNREDLWDM-LLVKDONJSA-N -2 3 367.362 1.265 20 0 FDADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)cc2o1 ZINC000823656293 606337883 /nfs/dbraw/zinc/33/78/83/606337883.db2.gz BEVPOZDOBZMXGZ-UHFFFAOYSA-N -2 3 374.338 1.220 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1C ZINC000822123252 606765647 /nfs/dbraw/zinc/76/56/47/606765647.db2.gz XLRRVFFKHAECIG-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1C ZINC000822123252 606765649 /nfs/dbraw/zinc/76/56/49/606765649.db2.gz XLRRVFFKHAECIG-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820541091 607108492 /nfs/dbraw/zinc/10/84/92/607108492.db2.gz BKAXPAPDNMXQGJ-UNXYVOJBSA-N -2 3 359.386 1.394 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820541091 607108493 /nfs/dbraw/zinc/10/84/93/607108493.db2.gz BKAXPAPDNMXQGJ-UNXYVOJBSA-N -2 3 359.386 1.394 20 0 FDADHL O=C([O-])CC1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000823387581 607109633 /nfs/dbraw/zinc/10/96/33/607109633.db2.gz PPXMKISRESATMC-UHFFFAOYSA-N -2 3 359.386 1.539 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823036736 607110715 /nfs/dbraw/zinc/11/07/15/607110715.db2.gz JXKITZIRUCKBCX-HNNXBMFYSA-N -2 3 367.365 1.230 20 0 FDADHL C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820234973 607126917 /nfs/dbraw/zinc/12/69/17/607126917.db2.gz PRBSPCBTZROOHD-BDAKNGLRSA-N -2 3 373.385 1.238 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823284034 607181312 /nfs/dbraw/zinc/18/13/12/607181312.db2.gz AAUHLGRTNJTPOR-UHFFFAOYSA-N -2 3 372.772 1.707 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823284034 607181313 /nfs/dbraw/zinc/18/13/13/607181313.db2.gz AAUHLGRTNJTPOR-UHFFFAOYSA-N -2 3 372.772 1.707 20 0 FDADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323479 607776687 /nfs/dbraw/zinc/77/66/87/607776687.db2.gz FWBVOYOGCKJUHC-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323479 607776688 /nfs/dbraw/zinc/77/66/88/607776688.db2.gz FWBVOYOGCKJUHC-UHFFFAOYSA-N -2 3 364.412 1.059 20 0 FDADHL Cn1c2cccc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)c2oc1=O ZINC000826354579 607809730 /nfs/dbraw/zinc/80/97/30/607809730.db2.gz LGIBWSDVTFMVHD-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL Cn1c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)c2oc1=O ZINC000826354579 607809731 /nfs/dbraw/zinc/80/97/31/607809731.db2.gz LGIBWSDVTFMVHD-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801980 607922287 /nfs/dbraw/zinc/92/22/87/607922287.db2.gz IWCHNNDDNBDJCB-GFCCVEGCSA-N -2 3 363.443 1.888 20 0 FDADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801980 607922288 /nfs/dbraw/zinc/92/22/88/607922288.db2.gz IWCHNNDDNBDJCB-GFCCVEGCSA-N -2 3 363.443 1.888 20 0 FDADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826450291 607925732 /nfs/dbraw/zinc/92/57/32/607925732.db2.gz FKKOOKQTLNBXOA-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826450291 607925733 /nfs/dbraw/zinc/92/57/33/607925733.db2.gz FKKOOKQTLNBXOA-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000826279979 607982765 /nfs/dbraw/zinc/98/27/65/607982765.db2.gz JZTYRXOHRPKFEA-UHFFFAOYSA-N -2 3 369.357 1.647 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000826279979 607982766 /nfs/dbraw/zinc/98/27/66/607982766.db2.gz JZTYRXOHRPKFEA-UHFFFAOYSA-N -2 3 369.357 1.647 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000824385431 607984824 /nfs/dbraw/zinc/98/48/24/607984824.db2.gz SUUFYJXZFBUTGR-NSHDSACASA-N -2 3 372.410 1.260 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000824385431 607984825 /nfs/dbraw/zinc/98/48/25/607984825.db2.gz SUUFYJXZFBUTGR-NSHDSACASA-N -2 3 372.410 1.260 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826223993 607999618 /nfs/dbraw/zinc/99/96/18/607999618.db2.gz JVTSSWIYIGJZON-UHFFFAOYSA-N -2 3 374.382 1.196 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1Cl ZINC000826362152 608107925 /nfs/dbraw/zinc/10/79/25/608107925.db2.gz GBJDLHQTZQVJMC-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1Cl ZINC000826362152 608107926 /nfs/dbraw/zinc/10/79/26/608107926.db2.gz GBJDLHQTZQVJMC-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225513 608182420 /nfs/dbraw/zinc/18/24/20/608182420.db2.gz UXDIWXYODXYPMU-AWEZNQCLSA-N -2 3 365.459 1.885 20 0 FDADHL CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225513 608182422 /nfs/dbraw/zinc/18/24/22/608182422.db2.gz UXDIWXYODXYPMU-AWEZNQCLSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000824249381 608306913 /nfs/dbraw/zinc/30/69/13/608306913.db2.gz MNDUASLKEMKAMW-UHFFFAOYSA-N -2 3 361.431 1.979 20 0 FDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc12 ZINC000826322661 608415309 /nfs/dbraw/zinc/41/53/09/608415309.db2.gz VXYVLLAEAQPIPB-UHFFFAOYSA-N -2 3 374.361 1.386 20 0 FDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc12 ZINC000826322661 608415312 /nfs/dbraw/zinc/41/53/12/608415312.db2.gz VXYVLLAEAQPIPB-UHFFFAOYSA-N -2 3 374.361 1.386 20 0 FDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824877236 609138754 /nfs/dbraw/zinc/13/87/54/609138754.db2.gz XITVRZRBNPRTNM-PJXYFTJBSA-N -2 3 363.443 1.744 20 0 FDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824877236 609138755 /nfs/dbraw/zinc/13/87/55/609138755.db2.gz XITVRZRBNPRTNM-PJXYFTJBSA-N -2 3 363.443 1.744 20 0 FDADHL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825052507 609142092 /nfs/dbraw/zinc/14/20/92/609142092.db2.gz XWBSMBHZQNMELB-MNOVXSKESA-N -2 3 351.432 1.495 20 0 FDADHL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825052507 609142094 /nfs/dbraw/zinc/14/20/94/609142094.db2.gz XWBSMBHZQNMELB-MNOVXSKESA-N -2 3 351.432 1.495 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000824744674 609258776 /nfs/dbraw/zinc/25/87/76/609258776.db2.gz DGQKLWKDMTVHPE-QWHCGFSZSA-N -2 3 373.413 1.737 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000824744674 609258778 /nfs/dbraw/zinc/25/87/78/609258778.db2.gz DGQKLWKDMTVHPE-QWHCGFSZSA-N -2 3 373.413 1.737 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824744760 609258884 /nfs/dbraw/zinc/25/88/84/609258884.db2.gz FOGXKICHTQKVEP-LLVKDONJSA-N -2 3 359.386 1.347 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824744760 609258886 /nfs/dbraw/zinc/25/88/86/609258886.db2.gz FOGXKICHTQKVEP-LLVKDONJSA-N -2 3 359.386 1.347 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824728257 609258962 /nfs/dbraw/zinc/25/89/62/609258962.db2.gz FGUPVQHQKQZLFC-LLVKDONJSA-N -2 3 359.386 1.347 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824728262 609258973 /nfs/dbraw/zinc/25/89/73/609258973.db2.gz FGUPVQHQKQZLFC-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2C1 ZINC000826146726 609469483 /nfs/dbraw/zinc/46/94/83/609469483.db2.gz BEPCRHHZOFUGGX-ZDUSSCGKSA-N -2 3 372.410 1.176 20 0 FDADHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2C1 ZINC000826146726 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COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c(C)o1 ZINC000548198137 542581401 /nfs/dbraw/zinc/58/14/01/542581401.db2.gz GGGCYEIHSLRFGR-NSHDSACASA-N -2 3 359.381 1.540 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c1 ZINC000548199281 542582185 /nfs/dbraw/zinc/58/21/85/542582185.db2.gz OSGNPQHNKVECQF-UHFFFAOYSA-N -2 3 369.420 1.754 20 0 FDADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548202915 542583899 /nfs/dbraw/zinc/58/38/99/542583899.db2.gz GSSYITYIYLUTNX-MRVPVSSYSA-N -2 3 358.363 1.585 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)sc1C(=O)[O-] ZINC000548203384 542584429 /nfs/dbraw/zinc/58/44/29/542584429.db2.gz HAAXLCSPSCRMFD-UHFFFAOYSA-N -2 3 370.408 1.399 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c1 ZINC000548226816 542592676 /nfs/dbraw/zinc/59/26/76/542592676.db2.gz CRAVGHVHSLNMEX-LLVKDONJSA-N -2 3 361.441 1.847 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)CC(=O)[O-] ZINC000548231217 542593942 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1.554 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548261861 542603956 /nfs/dbraw/zinc/60/39/56/542603956.db2.gz FXRFFMWEKUJYFF-GHMZBOCLSA-N -2 3 356.227 1.886 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000548524920 542689932 /nfs/dbraw/zinc/68/99/32/542689932.db2.gz FTXZUOLOEQJLAR-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])s1 ZINC000548557814 542702743 /nfs/dbraw/zinc/70/27/43/542702743.db2.gz UBKCHCCICBUHOA-LLVKDONJSA-N -2 3 373.408 1.031 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548567766 542705440 /nfs/dbraw/zinc/70/54/40/542705440.db2.gz PYVHAQYHHWYLJK-VIFPVBQESA-N -2 3 372.390 1.975 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCC1 ZINC000548593658 542714030 /nfs/dbraw/zinc/71/40/30/542714030.db2.gz BSPYQCPGMVEIPO-AWEZNQCLSA-N -2 3 356.375 1.242 20 0 FDADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] 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Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1F ZINC000557624083 544320475 /nfs/dbraw/zinc/32/04/75/544320475.db2.gz KUEYBUIUCWRLGD-UHFFFAOYSA-N -2 3 366.370 1.749 20 0 FDADHL C[C@@]1(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)NC(=O)[N-]C1=O ZINC000558419824 544425879 /nfs/dbraw/zinc/42/58/79/544425879.db2.gz LQRZJCSIOQMXDY-SFHVURJKSA-N -2 3 353.334 1.268 20 0 FDADHL O=C([O-])COCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000558472317 544442685 /nfs/dbraw/zinc/44/26/85/544442685.db2.gz UFTNBILMUAFPOO-UHFFFAOYSA-N -2 3 361.269 1.104 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1cc(F)ccc1[O-] ZINC000559296503 544633115 /nfs/dbraw/zinc/63/31/15/544633115.db2.gz QSOQDOQIPJJXEV-UHFFFAOYSA-N -2 3 360.313 1.727 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)CCC1 ZINC000560417197 545002290 /nfs/dbraw/zinc/00/22/90/545002290.db2.gz KDQNDCJITUENET-UHFFFAOYSA-N -2 3 360.775 1.308 20 0 FDADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000368849414 260247942 /nfs/dbraw/zinc/24/79/42/260247942.db2.gz CABIBNSWYZWDAP-UHFFFAOYSA-N -2 3 359.367 1.454 20 0 FDADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000368849414 260247943 /nfs/dbraw/zinc/24/79/43/260247943.db2.gz CABIBNSWYZWDAP-UHFFFAOYSA-N -2 3 359.367 1.454 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)OC ZINC000312005457 676549333 /nfs/dbraw/zinc/54/93/33/676549333.db2.gz VJDMUNDVJZXBNU-ZCFIWIBFSA-N -2 3 356.194 1.444 20 0 FDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031666552 519453203 /nfs/dbraw/zinc/45/32/03/519453203.db2.gz YQBMORUELPTOHV-UHFFFAOYSA-N -2 3 365.363 1.986 20 0 FDADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cn1C ZINC000046071076 522220424 /nfs/dbraw/zinc/22/04/24/522220424.db2.gz XASGEUIHRQAJEV-UHFFFAOYSA-N -2 3 355.347 1.023 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000063476263 522595861 /nfs/dbraw/zinc/59/58/61/522595861.db2.gz QWKJKARWHHGHLD-UHFFFAOYSA-N -3 3 365.363 1.957 20 0 FDADHL CC(C)Cc1nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cs1 ZINC000063656428 522618883 /nfs/dbraw/zinc/61/88/83/522618883.db2.gz WAFKQXWYMOCEJI-UHFFFAOYSA-N -2 3 361.474 1.817 20 0 FDADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216055 523730919 /nfs/dbraw/zinc/73/09/19/523730919.db2.gz XLNWLHUWJCTMKN-UHFFFAOYSA-N -2 3 350.327 1.519 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2n[nH]cc21 ZINC000068216349 523732892 /nfs/dbraw/zinc/73/28/92/523732892.db2.gz QRVMPBLRPNAMAR-UHFFFAOYSA-N -2 3 356.363 1.556 20 0 FDADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC ZINC000055617644 523834551 /nfs/dbraw/zinc/83/45/51/523834551.db2.gz KZNCPJNAKAKOIF-PCGIRMHASA-N -3 3 356.400 1.149 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c[nH]nc3C)c2)n1 ZINC000110588874 524107695 /nfs/dbraw/zinc/10/76/95/524107695.db2.gz BYFLXAXHLQWNSN-UHFFFAOYSA-N -2 3 359.411 1.832 20 0 FDADHL Cc1cc(C(=O)N(CCN(C)C)Cc2ccco2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000176282146 525076461 /nfs/dbraw/zinc/07/64/61/525076461.db2.gz SWYLXQJFWKBSPU-UHFFFAOYSA-N -2 3 371.397 1.129 20 0 FDADHL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000263008550 536959884 /nfs/dbraw/zinc/95/98/84/536959884.db2.gz PKGYUEKKBLSEMY-QZTJIDSGSA-N -2 3 361.398 1.360 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000263365946 537023346 /nfs/dbraw/zinc/02/33/46/537023346.db2.gz ZWHKDHRUYFJYIL-VIFPVBQESA-N -2 3 366.395 1.937 20 0 FDADHL CCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000263484917 537037481 /nfs/dbraw/zinc/03/74/81/537037481.db2.gz MHGROMYQSDKDFN-NSHDSACASA-N -2 3 373.822 1.442 20 0 FDADHL CCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000263484917 537037484 /nfs/dbraw/zinc/03/74/84/537037484.db2.gz MHGROMYQSDKDFN-NSHDSACASA-N -2 3 373.822 1.442 20 0 FDADHL C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000263483843 537037594 /nfs/dbraw/zinc/03/75/94/537037594.db2.gz LTKACVLLQWLWOT-JTQLQIEISA-N -2 3 361.725 1.473 20 0 FDADHL O=C(N[C@H]1CC[C@H](NC(=O)c2cncc([O-])c2)CC1)c1cncc([O-])c1 ZINC000270029778 537273061 /nfs/dbraw/zinc/27/30/61/537273061.db2.gz FXMWSDBSFVZPLA-HDJSIYSDSA-N -2 3 356.382 1.359 20 0 FDADHL CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000290508560 537366882 /nfs/dbraw/zinc/36/68/82/537366882.db2.gz IFUNXIVLLWTFSQ-PHDIDXHHSA-N -2 3 372.262 1.911 20 0 FDADHL CCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273620943 537476013 /nfs/dbraw/zinc/47/60/13/537476013.db2.gz ARFVIOUZJAVDCS-UHFFFAOYSA-N -2 3 370.210 1.923 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-] ZINC000290945078 537484491 /nfs/dbraw/zinc/48/44/91/537484491.db2.gz LGZPPONUIFYYBN-SSDOTTSWSA-N -2 3 372.226 1.770 20 0 FDADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCC1=O ZINC000273694450 537489044 /nfs/dbraw/zinc/48/90/44/537489044.db2.gz MPTZHIGJXOLWMW-SSDOTTSWSA-N -2 3 364.782 1.076 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c(F)c1 ZINC000273754805 537495939 /nfs/dbraw/zinc/49/59/39/537495939.db2.gz VRCHWGHIKKSRMD-LLVKDONJSA-N -2 3 359.375 1.488 20 0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)c1F ZINC000273779660 537501052 /nfs/dbraw/zinc/50/10/52/537501052.db2.gz YRBZGYTXNDFEDL-SECBINFHSA-N -2 3 360.407 1.414 20 0 FDADHL CCc1cc(=O)n2nc([N-]S(=O)(=O)c3cc(C)c(Cl)s3)[n-]c2n1 ZINC000289872127 537611789 /nfs/dbraw/zinc/61/17/89/537611789.db2.gz WMRNGOXXUMXQFB-UHFFFAOYSA-N -2 3 373.847 1.804 20 0 FDADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1C ZINC000326777204 537631255 /nfs/dbraw/zinc/63/12/55/537631255.db2.gz SREUQOXPYFYOCM-UHFFFAOYSA-N -2 3 371.802 1.537 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])cc1F ZINC000285261400 537672113 /nfs/dbraw/zinc/67/21/13/537672113.db2.gz VHQCXIRIUNVKTI-NSHDSACASA-N -2 3 351.371 1.820 20 0 FDADHL CC(C)n1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cn1 ZINC000285299634 537678148 /nfs/dbraw/zinc/67/81/48/537678148.db2.gz YBFNUKNVMAIWIM-VIFPVBQESA-N -2 3 357.354 1.786 20 0 FDADHL Cc1c(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cnn1C ZINC000291847556 537683842 /nfs/dbraw/zinc/68/38/42/537683842.db2.gz FLPKPDVNCRFRNT-UHFFFAOYSA-N -2 3 358.445 1.209 20 0 FDADHL COC(=O)C1(CS(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)CCCCC1 ZINC000291863931 537685324 /nfs/dbraw/zinc/68/53/24/537685324.db2.gz KIBNIZYKBDTPHI-UHFFFAOYSA-N -2 3 359.400 1.521 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000391241433 537770181 /nfs/dbraw/zinc/77/01/81/537770181.db2.gz PHCKVCIBBQAZRG-YGRLFVJLSA-N -2 3 361.441 1.847 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1C(N)=O ZINC000391294409 537771091 /nfs/dbraw/zinc/77/10/91/537771091.db2.gz SOWOHAGCJIQFTN-UHFFFAOYSA-N -2 3 357.775 1.276 20 0 FDADHL CCOCc1ccccc1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000391386951 537771252 /nfs/dbraw/zinc/77/12/52/537771252.db2.gz VIWYWSCXDWVTOG-UHFFFAOYSA-N -2 3 356.425 1.856 20 0 FDADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000414327195 537780564 /nfs/dbraw/zinc/78/05/64/537780564.db2.gz MRMDJOHNUSWUGY-ZYHUDNBSSA-N -2 3 361.391 1.162 20 0 FDADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000427100448 538172837 /nfs/dbraw/zinc/17/28/37/538172837.db2.gz MJSUALMTHRDXKS-UHFFFAOYSA-N -2 3 354.322 1.104 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)nc1 ZINC000433396420 538237022 /nfs/dbraw/zinc/23/70/22/538237022.db2.gz DWISIOSULOHLAF-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000560492920 545522875 /nfs/dbraw/zinc/52/28/75/545522875.db2.gz JYKODCNTEVXNFP-ZWNOBZJWSA-N -2 3 373.402 1.924 20 0 FDADHL CCC(CC)(CNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C(=O)[O-] ZINC000424422290 538296238 /nfs/dbraw/zinc/29/62/38/538296238.db2.gz FGFDNRBMSDFUPD-MEDUHNTESA-N -2 3 368.434 1.040 20 0 FDADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000421810776 538406641 /nfs/dbraw/zinc/40/66/41/538406641.db2.gz XXGDURBOQTVMNN-DTWKUNHWSA-N -2 3 374.390 1.083 20 0 FDADHL COc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1[N-]S(C)(=O)=O ZINC000437002498 538415236 /nfs/dbraw/zinc/41/52/36/538415236.db2.gz HQHLTCNZNATIEL-UHFFFAOYSA-N -2 3 364.379 1.594 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1[O-] ZINC000481607500 538538881 /nfs/dbraw/zinc/53/88/81/538538881.db2.gz KIYWWELDLARFTM-UHFFFAOYSA-N -2 3 373.394 1.732 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c(F)c1 ZINC000479213402 538792393 /nfs/dbraw/zinc/79/23/93/538792393.db2.gz UIEDBMPUMJXQRE-AWEZNQCLSA-N -2 3 353.371 1.809 20 0 FDADHL CO[C@@H](CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])C(F)(F)F ZINC000469479358 538797466 /nfs/dbraw/zinc/79/74/66/538797466.db2.gz FTLNLKUMIFWCJO-QMMMGPOBSA-N -2 3 359.322 1.840 20 0 FDADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000561842371 545964511 /nfs/dbraw/zinc/96/45/11/545964511.db2.gz IHHGUIBGUCZFRV-GTNSWQLSSA-N -2 3 363.391 1.951 20 0 FDADHL O=S(=O)([N-]CCN=c1[n-]c(C2CCC2)no1)c1ccc(Cl)cc1F ZINC000562695564 546228743 /nfs/dbraw/zinc/22/87/43/546228743.db2.gz OZVBJJAFWRDHLU-UHFFFAOYSA-N -2 3 374.825 1.942 20 0 FDADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(F)c(F)c3)nc2n1 ZINC000563652271 546632916 /nfs/dbraw/zinc/63/29/16/546632916.db2.gz UTPMXMSWYBJUJI-UHFFFAOYSA-N -2 3 369.353 1.449 20 0 FDADHL O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000563675343 546641935 /nfs/dbraw/zinc/64/19/35/546641935.db2.gz ULQKXMNXYHLAFN-JTQLQIEISA-N -2 3 364.210 1.691 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000563858393 546711923 /nfs/dbraw/zinc/71/19/23/546711923.db2.gz UAVAJRGZIJVVPE-ZDUSSCGKSA-N -2 3 373.818 1.495 20 0 FDADHL COCc1nc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cs1 ZINC000565982823 547554669 /nfs/dbraw/zinc/55/46/69/547554669.db2.gz DUFYNRRJGGCVKN-UHFFFAOYSA-N -2 3 360.388 1.605 20 0 FDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000566066637 547586205 /nfs/dbraw/zinc/58/62/05/547586205.db2.gz CLAVSDHQBXTTFB-VIFPVBQESA-N -2 3 361.326 1.487 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCO[C@H]1C(C)C ZINC000566173303 547639628 /nfs/dbraw/zinc/63/96/28/547639628.db2.gz KFDXJSRMBMLONT-SKDRFNHKSA-N -2 3 363.457 1.794 20 0 FDADHL COc1ccc(C)cc1CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000566180606 547645469 /nfs/dbraw/zinc/64/54/69/547645469.db2.gz PHCOPBMKFHKMOS-UHFFFAOYSA-N -2 3 356.425 1.679 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000566182606 547646279 /nfs/dbraw/zinc/64/62/79/547646279.db2.gz HHMUUBDGPYZZAN-HNNXBMFYSA-N -2 3 350.396 1.893 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000566182958 547647533 /nfs/dbraw/zinc/64/75/33/547647533.db2.gz MLVPWQGYTGFZDF-SECBINFHSA-N -2 3 371.440 1.983 20 0 FDADHL C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C[C@H]1C(=O)[O-] ZINC000566235700 547674988 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351.421 1.225 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cn1C ZINC000569082104 548788521 /nfs/dbraw/zinc/78/85/21/548788521.db2.gz CYXMGHBPYQNVJR-SECBINFHSA-N -2 3 371.381 1.865 20 0 FDADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)on1 ZINC000569490966 548938362 /nfs/dbraw/zinc/93/83/62/548938362.db2.gz JKSSFWYQQJEJMO-UHFFFAOYSA-N -2 3 372.374 1.844 20 0 FDADHL CC[C@H](C)C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000569931110 549099448 /nfs/dbraw/zinc/09/94/48/549099448.db2.gz SXEJREAMKBTANH-IMQJOWEQSA-N -2 3 361.398 1.360 20 0 FDADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)C2CC2)n1 ZINC000570926407 549463489 /nfs/dbraw/zinc/46/34/89/549463489.db2.gz YJZVPLSXFVSNBG-GFCCVEGCSA-N -2 3 356.429 1.162 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)s1 ZINC000571968178 549813404 /nfs/dbraw/zinc/81/34/04/549813404.db2.gz RBRVHBMCGSRVIL-FZMZJTMJSA-N -2 3 370.452 1.041 20 0 FDADHL 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O=C(Nc1nc[n-]c(=O)c1Br)c1ccccc1-c1nn[n-]n1 ZINC001186990477 964936384 /nfs/dbraw/zinc/93/63/84/964936384.db2.gz AIAFRNBTUBYSMX-UHFFFAOYSA-N -2 3 362.147 1.377 20 0 FDADHL CN(C)c1nc(NC(=O)c2ccccc2-c2nnn[n-]2)c(N=O)c(=O)[n-]1 ZINC001186992136 964937021 /nfs/dbraw/zinc/93/70/21/964937021.db2.gz STGBJQGDSQPFFI-UHFFFAOYSA-N -2 3 355.318 1.079 20 0 FDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776583289 967137470 /nfs/dbraw/zinc/13/74/70/967137470.db2.gz FOFRQZHRMALACN-SCZZXKLOSA-N -2 3 351.856 1.940 20 0 FDADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000776583291 967137783 /nfs/dbraw/zinc/13/77/83/967137783.db2.gz FOFRQZHRMALACN-WPRPVWTQSA-N -2 3 351.856 1.940 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)c1c(F)cccc1F ZINC000776588878 967268671 /nfs/dbraw/zinc/26/86/71/967268671.db2.gz UJJBNLBFOTWYED-ZDUSSCGKSA-N -2 3 369.305 1.605 20 0 FDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Br)ccc1[S-] ZINC001189960961 967454830 /nfs/dbraw/zinc/45/48/30/967454830.db2.gz DTODUHWRBMSOMR-MRVPVSSYSA-N -2 3 356.245 1.980 20 0 FDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOc1ccccc1 ZINC000852735031 967562003 /nfs/dbraw/zinc/56/20/03/967562003.db2.gz DPCXWCOEMGJUFS-STQMWFEESA-N -2 3 360.332 1.662 20 0 FDADHL COCc1cccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737195 967567456 /nfs/dbraw/zinc/56/74/56/967567456.db2.gz RHWVRZPDYWVVDY-KBPBESRZSA-N -2 3 374.359 1.929 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000776634239 967711910 /nfs/dbraw/zinc/71/19/10/967711910.db2.gz XQYDISJWPVKHKR-MRVPVSSYSA-N -2 3 364.807 1.301 20 0 FDADHL CCOc1ccc(S(=O)(=O)Nc2cnc(C)[n-]c2=O)cc1C(=O)[O-] ZINC001192615337 969200327 /nfs/dbraw/zinc/20/03/27/969200327.db2.gz PRBVTFYUJUJGBY-UHFFFAOYSA-N -2 3 353.356 1.388 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cncn3)c2)cc1 ZINC001192712976 969260984 /nfs/dbraw/zinc/26/09/84/969260984.db2.gz SOEWPWQHZCMUHM-UHFFFAOYSA-N -2 3 374.378 1.532 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(Br)c(=O)[nH]1 ZINC001193163377 969522088 /nfs/dbraw/zinc/52/20/88/969522088.db2.gz VSXFERXUQGDUKW-UHFFFAOYSA-N -2 3 353.109 1.237 20 0 FDADHL Cn1cnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])n1 ZINC001193255282 969582620 /nfs/dbraw/zinc/58/26/20/969582620.db2.gz SLHYIUPGCXILJB-UHFFFAOYSA-N -2 3 373.394 1.574 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001609943112 970613326 /nfs/dbraw/zinc/61/33/26/970613326.db2.gz IVABOCDMDQADQH-HTQZYQBOSA-N -2 3 359.791 1.951 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H](C)C(=O)[O-])no1 ZINC001609943116 970613730 /nfs/dbraw/zinc/61/37/30/970613730.db2.gz IVABOCDMDQADQH-YUMQZZPRSA-N -2 3 359.791 1.951 20 0 FDADHL Cc1cc(C)n(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195186043 970729401 /nfs/dbraw/zinc/72/94/01/970729401.db2.gz DGZMOQXUWBJHPV-UHFFFAOYSA-N -2 3 359.354 1.455 20 0 FDADHL O=C(NCc1ncccc1[O-])c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198007475 972636219 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CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC001591685969 975488663 /nfs/dbraw/zinc/48/86/63/975488663.db2.gz VNGKJZWFJKNZCS-AWEZNQCLSA-N -2 3 357.428 1.780 20 0 FDADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)Cc1noc(C2CC2)n1)c1ccccn1 ZINC001592333789 977775556 /nfs/dbraw/zinc/77/55/56/977775556.db2.gz JFPCUJMRMUUQKI-OAHLLOKOSA-N -2 3 366.399 1.152 20 0 FDADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)Cc1noc(C2CC2)n1)c1cccnc1 ZINC001592334422 977777991 /nfs/dbraw/zinc/77/79/91/977777991.db2.gz POKLPBXPFNDGLZ-OAHLLOKOSA-N -2 3 366.399 1.152 20 0 FDADHL C[C@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592434143 978072008 /nfs/dbraw/zinc/07/20/08/978072008.db2.gz UHJKMRVRIBMAOV-LLVKDONJSA-N -2 3 367.379 1.778 20 0 FDADHL C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592539973 978420931 /nfs/dbraw/zinc/42/09/31/978420931.db2.gz MQLLIODKKOKFHX-SECBINFHSA-N -2 3 367.383 1.136 20 0 FDADHL C[C@@H](CN(C)C(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001592575395 978478729 /nfs/dbraw/zinc/47/87/29/978478729.db2.gz IKRWOKZFKHVTQJ-VIFPVBQESA-N -2 3 362.404 1.512 20 0 FDADHL O=C([O-])C1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000851654147 978985557 /nfs/dbraw/zinc/98/55/57/978985557.db2.gz REJXVPGLDHQOMC-SNVBAGLBSA-N -2 3 365.352 1.341 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592715702 979213160 /nfs/dbraw/zinc/21/31/60/979213160.db2.gz FZSGVDFYFIZSEU-MRVPVSSYSA-N -2 3 366.424 1.800 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1 ZINC000776555318 979223161 /nfs/dbraw/zinc/22/31/61/979223161.db2.gz OSFGGTMFTLZVRL-SNVBAGLBSA-N -2 3 361.391 1.924 20 0 FDADHL C[C@](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592723377 979231426 /nfs/dbraw/zinc/23/14/26/979231426.db2.gz WSKKIVLFTFMVMB-CQSZACIVSA-N -3 3 370.408 1.162 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c1F ZINC000776562007 979248989 /nfs/dbraw/zinc/24/89/89/979248989.db2.gz CAPUTWOJABSVAW-QMMMGPOBSA-N 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Cc1cccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1-c1nn[n-]n1 ZINC000826299433 981931948 /nfs/dbraw/zinc/93/19/48/981931948.db2.gz FHBGYYRTHCZACA-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826322739 982182579 /nfs/dbraw/zinc/18/25/79/982182579.db2.gz ZZYNNGCVGAXBET-UHFFFAOYSA-N -2 3 357.758 1.492 20 0 FDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001594952962 982675993 /nfs/dbraw/zinc/67/59/93/982675993.db2.gz PCGXJCFMAXIPMP-YUMQZZPRSA-N -2 3 350.418 1.097 20 0 FDADHL CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001596176542 983543630 /nfs/dbraw/zinc/54/36/30/983543630.db2.gz DLQYTLDTNUJAAV-UHFFFAOYSA-N -2 3 373.822 1.394 20 0 FDADHL CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001596176542 983543631 /nfs/dbraw/zinc/54/36/31/983543631.db2.gz DLQYTLDTNUJAAV-UHFFFAOYSA-N -2 3 373.822 1.394 20 0 FDADHL COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C2 ZINC000645963788 1014978556 /nfs/dbraw/zinc/97/85/56/1014978556.db2.gz RJIDTGWNHAOVCD-SECBINFHSA-N -2 3 370.408 1.132 20 0 FDADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCCC1 ZINC001596544558 984401296 /nfs/dbraw/zinc/40/12/96/984401296.db2.gz UUOLOMXJGOEIFP-LBPRGKRZSA-N -2 3 373.431 1.288 20 0 FDADHL CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001596592492 984529700 /nfs/dbraw/zinc/52/97/00/984529700.db2.gz KNIQBGAZESYLCP-OAHLLOKOSA-N -2 3 361.416 1.932 20 0 FDADHL CCO[C@H]1C[C@@](NC(=O)c2cc(=O)c3ccccc3[n-]2)(C(=O)[O-])C1(C)C ZINC001596829593 985456967 /nfs/dbraw/zinc/45/69/67/985456967.db2.gz XDBYYAUWSIWWJC-HNAYVOBHSA-N -2 3 358.394 1.916 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001589199482 985632784 /nfs/dbraw/zinc/63/27/84/985632784.db2.gz OFYCSHVXRHYHFD-GOSISDBHSA-N -2 3 357.366 1.866 20 0 FDADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001596912780 985921830 /nfs/dbraw/zinc/92/18/30/985921830.db2.gz GUIRMOKBDYNJKO-LBPRGKRZSA-N 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CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c2ccccc21 ZINC001598595000 993491237 /nfs/dbraw/zinc/49/12/37/993491237.db2.gz SCHMEAVYAHHLKT-LLVKDONJSA-N -2 3 351.384 1.622 20 0 FDADHL COc1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c1[O-] ZINC001599642773 994382061 /nfs/dbraw/zinc/38/20/61/994382061.db2.gz ROLNCISPTMYTFI-UHFFFAOYSA-N -2 3 358.350 1.396 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C(=O)[O-])ccc1F ZINC001598674150 994811601 /nfs/dbraw/zinc/81/16/01/994811601.db2.gz IUNUAFGRBGEGAM-UHFFFAOYSA-N -2 3 366.370 1.362 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1nc(C(F)(F)F)cs1 ZINC001593331439 994902385 /nfs/dbraw/zinc/90/23/85/994902385.db2.gz XQHCWWNKNZAHPR-SCSAIBSYSA-N -2 3 370.334 1.623 20 0 FDADHL COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001598685983 995003572 /nfs/dbraw/zinc/00/35/72/995003572.db2.gz OWLIPLQHUCEOTC-AWEZNQCLSA-N -2 3 365.354 1.402 20 0 FDADHL C[C@](O)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001593417145 995203311 /nfs/dbraw/zinc/20/33/11/995203311.db2.gz MMFZJRUIKCHLMZ-ZDUSSCGKSA-N -2 3 360.388 1.166 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(C)cc(C)c1 ZINC001598708503 995318700 /nfs/dbraw/zinc/31/87/00/995318700.db2.gz FDUIIMCSIHWZHC-HZSPNIEDSA-N -2 3 355.412 1.300 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC001598713950 995382783 /nfs/dbraw/zinc/38/27/83/995382783.db2.gz PVFUPDRJBSGFPH-LBPRGKRZSA-N -2 3 359.400 1.686 20 0 FDADHL COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599095309 997269756 /nfs/dbraw/zinc/26/97/56/997269756.db2.gz PITJXJSNJBMTHZ-MRVPVSSYSA-N -2 3 350.418 1.051 20 0 FDADHL COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001599096561 997293069 /nfs/dbraw/zinc/29/30/69/997293069.db2.gz YPTCRVBNBFPCHV-CQSZACIVSA-N -2 3 357.428 1.736 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598917628 997503624 /nfs/dbraw/zinc/50/36/24/997503624.db2.gz SLLZAFLQNCNUNR-UHFFFAOYSA-N -2 3 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CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c1 ZINC000548619805 542721012 /nfs/dbraw/zinc/72/10/12/542721012.db2.gz RYYHCEMQMHBSKS-TZMCWYRMSA-N -2 3 371.459 1.545 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000548836995 542788862 /nfs/dbraw/zinc/78/88/62/542788862.db2.gz KDFRQBJJGMECQP-MGPLVRAMSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000555455706 543958297 /nfs/dbraw/zinc/95/82/97/543958297.db2.gz BNMHZMPHAXODGZ-MRVPVSSYSA-N -2 3 362.791 1.552 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])s1 ZINC000555955065 544063147 /nfs/dbraw/zinc/06/31/47/544063147.db2.gz JVSKFOPXAXJGSI-NSHDSACASA-N -2 3 366.424 1.302 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000556319223 544131937 /nfs/dbraw/zinc/13/19/37/544131937.db2.gz IOYMDSSBGDMDFE-JQWIXIFHSA-N -2 3 362.448 1.522 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2OCC(=O)N3)c1 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CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000164351600 525498933 /nfs/dbraw/zinc/49/89/33/525498933.db2.gz DCHWTGVNIGWMMW-UHFFFAOYSA-N -2 3 361.431 1.444 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000164351600 525498944 /nfs/dbraw/zinc/49/89/44/525498944.db2.gz DCHWTGVNIGWMMW-UHFFFAOYSA-N -2 3 361.431 1.444 20 0 FDADHL C[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2c([O-])cccc21 ZINC000186257072 536230306 /nfs/dbraw/zinc/23/03/06/536230306.db2.gz KRYSCWXZTJHCNU-SECBINFHSA-N -2 3 352.350 1.471 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000262824805 536911930 /nfs/dbraw/zinc/91/19/30/536911930.db2.gz WKCUPISVFDRCRY-UHFFFAOYSA-N -2 3 366.395 1.467 20 0 FDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000263338340 537019387 /nfs/dbraw/zinc/01/93/87/537019387.db2.gz MYMBMAVGAPJAQE-NWDGAFQWSA-N -2 3 372.418 1.063 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000263549865 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606180775 /nfs/dbraw/zinc/18/07/75/606180775.db2.gz MKNBELKCUXTYNE-UHFFFAOYSA-N -2 3 354.779 1.871 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822684810 606339759 /nfs/dbraw/zinc/33/97/59/606339759.db2.gz JJAJPRWRDZYAFC-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822684810 606339761 /nfs/dbraw/zinc/33/97/61/606339761.db2.gz JJAJPRWRDZYAFC-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(F)cc1F ZINC000822211849 606611651 /nfs/dbraw/zinc/61/16/51/606611651.db2.gz QGVZPVXBUVNRLW-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL COc1cc(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000821707658 606709423 /nfs/dbraw/zinc/70/94/23/606709423.db2.gz BWEDOOWZPRTGAL-UHFFFAOYSA-N -2 3 363.403 1.026 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(F)c1 ZINC000821720193 607026186 /nfs/dbraw/zinc/02/61/86/607026186.db2.gz OVKJDGSZJZHIPT-UHFFFAOYSA-N -2 3 374.354 1.411 20 0 FDADHL CSc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821984656 607026590 /nfs/dbraw/zinc/02/65/90/607026590.db2.gz RCULRCGLZFSGDQ-UHFFFAOYSA-N -2 3 354.442 1.846 20 0 FDADHL O=C(c1ccc([O-])cc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826473252 607837792 /nfs/dbraw/zinc/83/77/92/607837792.db2.gz QDDHCGPOJXVTSP-UHFFFAOYSA-N -2 3 351.370 1.462 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCCO1 ZINC000825146885 607906918 /nfs/dbraw/zinc/90/69/18/607906918.db2.gz FRXFRBWSIHBWGD-VXGBXAGGSA-N -2 3 373.385 1.381 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825095855 608075600 /nfs/dbraw/zinc/07/56/00/608075600.db2.gz JGPMWLNKKIHXGX-JTQLQIEISA-N -2 3 351.432 1.744 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825095855 608075601 /nfs/dbraw/zinc/07/56/01/608075601.db2.gz JGPMWLNKKIHXGX-JTQLQIEISA-N -2 3 351.432 1.744 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C12CCC(CC1)C2 ZINC000826279386 608142961 /nfs/dbraw/zinc/14/29/61/608142961.db2.gz OQIGRADRILUNJE-UHFFFAOYSA-N -2 3 361.427 1.560 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C12CCC(CC1)C2 ZINC000826279386 608142962 /nfs/dbraw/zinc/14/29/62/608142962.db2.gz OQIGRADRILUNJE-UHFFFAOYSA-N -2 3 361.427 1.560 20 0 FDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825075133 608144697 /nfs/dbraw/zinc/14/46/97/608144697.db2.gz MRLULALEJWIQJH-SNVBAGLBSA-N -2 3 367.431 1.269 20 0 FDADHL C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824884816 608154893 /nfs/dbraw/zinc/15/48/93/608154893.db2.gz PPLAWWRADFOXTC-IUCAKERBSA-N -2 3 373.385 1.238 20 0 FDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826455766 608214255 /nfs/dbraw/zinc/21/42/55/608214255.db2.gz CPIOXQOOGSLDTF-AWEZNQCLSA-N -2 3 365.328 1.593 20 0 FDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826455766 608214256 /nfs/dbraw/zinc/21/42/56/608214256.db2.gz CPIOXQOOGSLDTF-AWEZNQCLSA-N -2 3 365.328 1.593 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cnc(Cl)c(Cl)c1 ZINC000826492514 608305887 /nfs/dbraw/zinc/30/58/87/608305887.db2.gz OUKMOERRAYYUSY-UHFFFAOYSA-N -2 3 361.174 1.092 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824893839 608447813 /nfs/dbraw/zinc/44/78/13/608447813.db2.gz VMNSSSNADDNIAJ-DIYOJNKTSA-N -2 3 373.385 1.379 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824744761 609258978 /nfs/dbraw/zinc/25/89/78/609258978.db2.gz FOGXKICHTQKVEP-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000824744761 609258979 /nfs/dbraw/zinc/25/89/79/609258979.db2.gz FOGXKICHTQKVEP-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL C[C@H](CN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1)C(=O)[O-] ZINC000824413706 609259025 /nfs/dbraw/zinc/25/90/25/609259025.db2.gz OPTOFKUZKWQRPU-GHMZBOCLSA-N -2 3 359.386 1.346 20 0 FDADHL C[C@H](CN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1)C(=O)[O-] ZINC000824413706 609259026 /nfs/dbraw/zinc/25/90/26/609259026.db2.gz OPTOFKUZKWQRPU-GHMZBOCLSA-N -2 3 359.386 1.346 20 0 FDADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824064832 609259412 /nfs/dbraw/zinc/25/94/12/609259412.db2.gz OPBHPHJCYORCEA-ZDUSSCGKSA-N -2 3 373.413 1.595 20 0 FDADHL COCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000826165353 609423539 /nfs/dbraw/zinc/42/35/39/609423539.db2.gz QQIDFKMOTXQDAN-UHFFFAOYSA-N -2 3 361.383 1.520 20 0 FDADHL COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000275042591 674602945 /nfs/dbraw/zinc/60/29/45/674602945.db2.gz VRARRQYOWNYSJF-ZDUSSCGKSA-N -2 3 368.411 1.522 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000031665072 670854551 /nfs/dbraw/zinc/85/45/51/670854551.db2.gz PEYXUSGBDAEKJK-UHFFFAOYSA-N -2 3 351.336 1.928 20 0 FDADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NN=c1nc(OC)cc[n-]1 ZINC000068182088 671362263 /nfs/dbraw/zinc/36/22/63/671362263.db2.gz NLWHNACSUWTZQX-UHFFFAOYSA-N -2 3 351.388 1.004 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)CCC1CCCCC1 ZINC000164752601 672029649 /nfs/dbraw/zinc/02/96/49/672029649.db2.gz GQCCMHUHYCVKOM-UHFFFAOYSA-N -2 3 360.867 1.987 20 0 FDADHL CC(=O)c1ccc([O-])c(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000290323525 676197456 /nfs/dbraw/zinc/19/74/56/676197456.db2.gz FEUXXOQUDCCUEF-UHFFFAOYSA-N -2 3 367.383 1.117 20 0 FDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000279269608 675267204 /nfs/dbraw/zinc/26/72/04/675267204.db2.gz RLSWINFFPZHEEB-JTQLQIEISA-N -2 3 356.308 1.508 20 0 FDADHL Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000322305770 676564423 /nfs/dbraw/zinc/56/44/23/676564423.db2.gz WHKWEFYGBRICLG-SNVBAGLBSA-N -2 3 356.425 1.896 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(C(=O)[O-])c1 ZINC000327274052 676590679 /nfs/dbraw/zinc/59/06/79/676590679.db2.gz HEZOJRLWCIMRTC-UHFFFAOYSA-N -2 3 362.363 1.825 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000392121513 678785606 /nfs/dbraw/zinc/78/56/06/678785606.db2.gz WMIMPMVIJNBDKW-UHFFFAOYSA-N -3 3 356.331 1.844 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)c1 ZINC000430978325 681102913 /nfs/dbraw/zinc/10/29/13/681102913.db2.gz OHVBELUZLQCHII-UHFFFAOYSA-N -2 3 360.395 1.841 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)c1ccc(C)o1 ZINC000436990294 681751799 /nfs/dbraw/zinc/75/17/99/681751799.db2.gz OMZJDBUKTUQKON-LBPRGKRZSA-N -2 3 369.395 1.966 20 0 FDADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443413951 682294336 /nfs/dbraw/zinc/29/43/36/682294336.db2.gz DOQQKFWHYUMJJK-UHFFFAOYSA-N -2 3 373.431 1.955 20 0 FDADHL Cn1[n-]c(=NC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1OC(F)F ZINC000481313710 686320250 /nfs/dbraw/zinc/32/02/50/686320250.db2.gz HJEWUVSGAOAVHW-UHFFFAOYSA-N -2 3 352.223 1.318 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)cc1F ZINC000498016421 687740329 /nfs/dbraw/zinc/74/03/29/687740329.db2.gz QZICWVSKHZFOKV-UHFFFAOYSA-N -2 3 374.419 1.487 20 0 FDADHL Cc1nc(C=Cc2cnc(N3CCOCC3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729773 688454882 /nfs/dbraw/zinc/45/48/82/688454882.db2.gz KNOIKEYFCFLJHW-IHWYPQMZSA-N -2 3 362.411 1.581 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000517033115 690026087 /nfs/dbraw/zinc/02/60/87/690026087.db2.gz GWAJPYIQKPKTQJ-TVQRCGJNSA-N -2 3 361.445 1.413 20 0 FDADHL CC(C)[C@@H](CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000655890453 772898898 /nfs/dbraw/zinc/89/88/98/772898898.db2.gz JSWMRCFOIHOTJS-CQSZACIVSA-N -2 3 363.414 1.216 20 0 FDADHL CN(Cc1n[n-]c(=O)o1)Cc1ccccc1CN(C)Cc1n[n-]c(=O)o1 ZINC000660845376 801801709 /nfs/dbraw/zinc/80/17/09/801801709.db2.gz PTPYPTNVTHQNFH-UHFFFAOYSA-N -2 3 360.374 1.128 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000663425875 806995254 /nfs/dbraw/zinc/99/52/54/806995254.db2.gz UYZRUBPUDRVUNI-UHFFFAOYSA-N -2 3 359.429 1.914 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)oc1C(=O)[O-] ZINC000663428408 807003288 /nfs/dbraw/zinc/00/32/88/807003288.db2.gz QWHDSMIOJUKBQI-SDDRHHMPSA-N -2 3 360.432 1.062 20 0 FDADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CO1 ZINC000402075389 809897431 /nfs/dbraw/zinc/89/74/31/809897431.db2.gz RMQPQQWZJJSCGM-NTSWFWBYSA-N -2 3 354.178 1.196 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425308125 815974007 /nfs/dbraw/zinc/97/40/07/815974007.db2.gz UXYGJUMSRDUEIO-LLVKDONJSA-N -2 3 372.385 1.089 20 0 FDADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425314870 815976182 /nfs/dbraw/zinc/97/61/82/815976182.db2.gz AJWHKSPOVCFNBA-UHFFFAOYSA-N -2 3 373.344 1.825 20 0 FDADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cnc4n3CCC4)cc2)n1 ZINC000437675651 817241475 /nfs/dbraw/zinc/24/14/75/817241475.db2.gz PTXIRZKNXWTMMQ-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL Cc1nc(C=Cc2cnnn2Cc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000426897466 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1.339 20 0 FDADHL Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1 ZINC000738566427 890075530 /nfs/dbraw/zinc/07/55/30/890075530.db2.gz GBXGSLVICUJPEM-OAHLLOKOSA-N -2 3 352.346 1.477 20 0 FDADHL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCc1c(F)cc([O-])cc1F ZINC000921967479 893622639 /nfs/dbraw/zinc/62/26/39/893622639.db2.gz HFJJPBYREXTYRU-JOCHJYFZSA-N -2 3 370.443 1.944 20 0 FDADHL O=C(NCCNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc([O-])cc1 ZINC000735848740 924619518 /nfs/dbraw/zinc/61/95/18/924619518.db2.gz CMRJRBIHXVNCTK-UHFFFAOYSA-N -2 3 357.391 1.982 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)c[nH]1 ZINC000743250003 926305285 /nfs/dbraw/zinc/30/52/85/926305285.db2.gz TZQLZIREFVTOJK-UHFFFAOYSA-N -2 3 368.268 1.058 20 0 FDADHL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000788133352 932568962 /nfs/dbraw/zinc/56/89/62/932568962.db2.gz XGAZZAVXEAQJBY-UHFFFAOYSA-N -3 3 364.282 1.789 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ncc(F)cc2F)c(F)cc1F ZINC001195254884 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ZBQWOOCQMHEMAS-UHFFFAOYSA-N -2 3 363.443 1.815 20 0 FDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000737540022 599855091 /nfs/dbraw/zinc/85/50/91/599855091.db2.gz JNYUZLGJUOFTLC-UHFFFAOYSA-N -2 3 364.379 1.310 20 0 FDADHL CCOc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1OCC(=O)[O-] ZINC000737193926 599932437 /nfs/dbraw/zinc/93/24/37/599932437.db2.gz XRFFHTGTUFJSRM-UHFFFAOYSA-N -2 3 374.275 1.938 20 0 FDADHL CCOc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1OCC(=O)[O-] ZINC000737193926 599932439 /nfs/dbraw/zinc/93/24/39/599932439.db2.gz XRFFHTGTUFJSRM-UHFFFAOYSA-N -2 3 374.275 1.938 20 0 FDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000738179084 600177208 /nfs/dbraw/zinc/17/72/08/600177208.db2.gz HJLZKDRMRVUOHX-QFIPXVFZSA-N -2 3 355.393 1.629 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c1 ZINC000737690557 600343674 /nfs/dbraw/zinc/34/36/74/600343674.db2.gz ARLXBMYHYYFUEG-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL Cc1cncc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822400048 607441777 /nfs/dbraw/zinc/44/17/77/607441777.db2.gz USBNSJDXWLPDIN-UQCOIBPSSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1cncc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822400048 607441778 /nfs/dbraw/zinc/44/17/78/607441778.db2.gz USBNSJDXWLPDIN-UQCOIBPSSA-N -2 3 370.394 1.088 20 0 FDADHL CC[C@@]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000828988722 600742027 /nfs/dbraw/zinc/74/20/27/600742027.db2.gz BGLMHTAMHCTOSC-INIZCTEOSA-N -2 3 366.395 1.470 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000327329048 600777360 /nfs/dbraw/zinc/77/73/60/600777360.db2.gz FSNBIUABTRQPBL-HNNXBMFYSA-N -2 3 363.391 1.886 20 0 FDADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000833186163 601209320 /nfs/dbraw/zinc/20/93/20/601209320.db2.gz QORGBWLNORFERR-CABCVRRESA-N -2 3 360.410 1.568 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)cc1C(=O)[O-] ZINC000832965963 601214554 /nfs/dbraw/zinc/21/45/54/601214554.db2.gz VNJKWAAEUBAMRV-UHFFFAOYSA-N -2 3 366.395 1.820 20 0 FDADHL COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C2 ZINC000645963780 601220470 /nfs/dbraw/zinc/22/04/70/601220470.db2.gz QLGSFJHOYDLULE-LLVKDONJSA-N -2 3 367.379 1.577 20 0 FDADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000830390216 601357880 /nfs/dbraw/zinc/35/78/80/601357880.db2.gz AKUSSHHQCVOMJZ-UHFFFAOYSA-N -2 3 371.367 1.707 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1C(=O)[O-] ZINC000467302613 601387720 /nfs/dbraw/zinc/38/77/20/601387720.db2.gz JJHORCRWTKWJEX-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c1F ZINC000831226445 601445147 /nfs/dbraw/zinc/44/51/47/601445147.db2.gz LRVKHCRMKOMBQE-UHFFFAOYSA-N -2 3 363.338 1.427 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)ccc1F ZINC000831029516 601679248 /nfs/dbraw/zinc/67/92/48/601679248.db2.gz SYGCTARKTCMUAP-GFCCVEGCSA-N -2 3 372.399 1.351 20 0 FDADHL C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@@H]1C(=O)[O-] ZINC000828394084 601691286 /nfs/dbraw/zinc/69/12/86/601691286.db2.gz NTXBESNTEPXTBA-SKDRFNHKSA-N -2 3 370.402 1.059 20 0 FDADHL C[C@H](CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC000827562796 601791553 /nfs/dbraw/zinc/79/15/53/601791553.db2.gz FRBWMKOSDVPAQE-MRVPVSSYSA-N -2 3 359.791 1.530 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000827554502 601799602 /nfs/dbraw/zinc/79/96/02/601799602.db2.gz WPKRDUZCIWISTQ-GHMZBOCLSA-N -2 3 353.400 1.362 20 0 FDADHL COc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000826195627 607527816 /nfs/dbraw/zinc/52/78/16/607527816.db2.gz AKFIRNSZVXHLAO-NEPJUHHUSA-N -2 3 357.370 1.159 20 0 FDADHL COc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000826195627 607527818 /nfs/dbraw/zinc/52/78/18/607527818.db2.gz AKFIRNSZVXHLAO-NEPJUHHUSA-N -2 3 357.370 1.159 20 0 FDADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000326909356 601831019 /nfs/dbraw/zinc/83/10/19/601831019.db2.gz NXASWLPGHZVCAL-BAQGIRSFSA-N -2 3 364.354 1.823 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1-c1nn[n-]n1 ZINC000826303734 607534161 /nfs/dbraw/zinc/53/41/61/607534161.db2.gz BZOMUEYLQGSJKW-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL COC(=O)[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831105845 601991855 /nfs/dbraw/zinc/99/18/55/601991855.db2.gz AZSVQVHWNJYYEO-MNOVXSKESA-N -2 3 359.400 1.768 20 0 FDADHL COc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)ccc1NC(=O)[O-] ZINC000739868459 602064570 /nfs/dbraw/zinc/06/45/70/602064570.db2.gz VZDQOQPYJZWBFV-UHFFFAOYSA-N -2 3 359.338 1.859 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCCN(C(=O)[O-])C(C)C)s1 ZINC000739790692 602389471 /nfs/dbraw/zinc/38/94/71/602389471.db2.gz CMZYUEGVGNHWAO-UHFFFAOYSA-N -2 3 364.445 1.592 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)NC(=O)[O-] ZINC000738794862 602786056 /nfs/dbraw/zinc/78/60/56/602786056.db2.gz SNMBWLXHHDZXDQ-SSDOTTSWSA-N -2 3 356.231 1.959 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C(C)C)s1 ZINC000739792267 602787510 /nfs/dbraw/zinc/78/75/10/602787510.db2.gz LNRZOWHCCVWBCW-QMMMGPOBSA-N -2 3 350.418 1.105 20 0 FDADHL CCOCCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@@H]1C ZINC000739486061 602867154 /nfs/dbraw/zinc/86/71/54/602867154.db2.gz DQLLFTYFRLTYCM-LBPRGKRZSA-N -2 3 351.403 1.665 20 0 FDADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C1CC1 ZINC000832432995 603121017 /nfs/dbraw/zinc/12/10/17/603121017.db2.gz DLJXWQQFQJJTGH-VIFPVBQESA-N -2 3 364.221 1.169 20 0 FDADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832481225 603128622 /nfs/dbraw/zinc/12/86/22/603128622.db2.gz HEPJOIKCCTUKJI-WRWORJQWSA-N -2 3 352.334 1.819 20 0 FDADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000739927803 603240683 /nfs/dbraw/zinc/24/06/83/603240683.db2.gz RNIGQNDKBBTGPR-SSDOTTSWSA-N -2 3 354.215 1.809 20 0 FDADHL CCN(CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(=O)[O-] ZINC000739396062 603425764 /nfs/dbraw/zinc/42/57/64/603425764.db2.gz OBUXWGSTWJIOJR-UHFFFAOYSA-N -2 3 359.404 1.395 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828579699 603532030 /nfs/dbraw/zinc/53/20/30/603532030.db2.gz PEVHOLGVBJUPKC-MWLCHTKSSA-N -2 3 373.431 1.004 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000830715612 603666273 /nfs/dbraw/zinc/66/62/73/603666273.db2.gz GXUOAWNDVKHZCN-YGRLFVJLSA-N -2 3 350.419 1.626 20 0 FDADHL CCCC[C@@H](CNC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000826801922 603962501 /nfs/dbraw/zinc/96/25/01/603962501.db2.gz YYASVAWPVSAMCE-JTQLQIEISA-N -2 3 361.420 1.052 20 0 FDADHL O=C([O-])NC1(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000832199564 604217962 /nfs/dbraw/zinc/21/79/62/604217962.db2.gz YFBNMIBIYIRXLH-UHFFFAOYSA-N -2 3 361.398 1.257 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1 ZINC000823610598 604220450 /nfs/dbraw/zinc/22/04/50/604220450.db2.gz CLIGLMQBUTTXAR-TVQRCGJNSA-N -2 3 365.386 1.584 20 0 FDADHL Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000833030636 604434061 /nfs/dbraw/zinc/43/40/61/604434061.db2.gz AGFGDBKBKWPOOA-NSHDSACASA-N -2 3 363.457 1.762 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000827571587 604663438 /nfs/dbraw/zinc/66/34/38/604663438.db2.gz MWLSWYXLMQFBEK-YPMHNXCESA-N -2 3 357.428 1.710 20 0 FDADHL C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833515152 605299366 /nfs/dbraw/zinc/29/93/66/605299366.db2.gz MVRIXBNYZIIXKS-SECBINFHSA-N -2 3 362.404 1.559 20 0 FDADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000834069201 605726988 /nfs/dbraw/zinc/72/69/88/605726988.db2.gz RZEIEDYCYAVCAO-UHFFFAOYSA-N -2 3 355.235 1.399 20 0 FDADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000834152100 605806882 /nfs/dbraw/zinc/80/68/82/605806882.db2.gz YLYSFBOTLBAVFY-SECBINFHSA-N -2 3 354.215 1.713 20 0 FDADHL CCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C1CCN(C(=O)[O-])CC1 ZINC000826862517 605824639 /nfs/dbraw/zinc/82/46/39/605824639.db2.gz KJFUQOAPZCRQFE-UHFFFAOYSA-N -2 3 350.419 1.723 20 0 FDADHL O=c1cc(CSc2nnc(C3CC3)s2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC000823726778 606052262 /nfs/dbraw/zinc/05/22/62/606052262.db2.gz FYAUIVFYPVDMNF-UHFFFAOYSA-N -2 3 373.427 1.636 20 0 FDADHL O=C([O-])Nc1ccccc1CC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000834274207 606089696 /nfs/dbraw/zinc/08/96/96/606089696.db2.gz GANRKJDQNQPINP-UHFFFAOYSA-N -2 3 362.363 1.880 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000370273563 606202724 /nfs/dbraw/zinc/20/27/24/606202724.db2.gz XMFBMDKZYPNXLK-UHFFFAOYSA-N -2 3 363.355 1.356 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C ZINC000821845160 606211911 /nfs/dbraw/zinc/21/19/11/606211911.db2.gz BRVJZFBCIOTILH-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000822224213 606392563 /nfs/dbraw/zinc/39/25/63/606392563.db2.gz ZXEOCRXPPWWICC-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000822224213 606392565 /nfs/dbraw/zinc/39/25/65/606392565.db2.gz ZXEOCRXPPWWICC-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589116 606396125 /nfs/dbraw/zinc/39/61/25/606396125.db2.gz NYMFEYSZIFVCTP-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589116 606396126 /nfs/dbraw/zinc/39/61/26/606396126.db2.gz NYMFEYSZIFVCTP-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c(C)s1 ZINC000822211556 606407414 /nfs/dbraw/zinc/40/74/14/606407414.db2.gz DTIWUKBEVFOSCA-UHFFFAOYSA-N -2 3 366.428 1.002 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(C)s1 ZINC000822211556 606407416 /nfs/dbraw/zinc/40/74/16/606407416.db2.gz DTIWUKBEVFOSCA-UHFFFAOYSA-N -2 3 366.428 1.002 20 0 FDADHL CC1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820648684 606626750 /nfs/dbraw/zinc/62/67/50/606626750.db2.gz FNDTUCCIANZUJN-UHFFFAOYSA-N -2 3 355.807 1.371 20 0 FDADHL CC1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820648684 606626751 /nfs/dbraw/zinc/62/67/51/606626751.db2.gz FNDTUCCIANZUJN-UHFFFAOYSA-N -2 3 355.807 1.371 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821824167 606710737 /nfs/dbraw/zinc/71/07/37/606710737.db2.gz JAHHOXFLIMHJFG-UHFFFAOYSA-N -2 3 369.794 1.063 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCSC1 ZINC000823284847 606800256 /nfs/dbraw/zinc/80/02/56/606800256.db2.gz KTBVFTJWLFNQEP-ZETCQYMHSA-N -2 3 373.847 1.078 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCSC1 ZINC000823284847 606800258 /nfs/dbraw/zinc/80/02/58/606800258.db2.gz KTBVFTJWLFNQEP-ZETCQYMHSA-N -2 3 373.847 1.078 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c[n-]1 ZINC000821668216 607049127 /nfs/dbraw/zinc/04/91/27/607049127.db2.gz VIZSBIARDJOESQ-UHFFFAOYSA-N -2 3 363.355 1.058 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c[n-]1 ZINC000821668216 607049128 /nfs/dbraw/zinc/04/91/28/607049128.db2.gz VIZSBIARDJOESQ-UHFFFAOYSA-N -2 3 363.355 1.058 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC000826449822 607806864 /nfs/dbraw/zinc/80/68/64/607806864.db2.gz KYZIUQZBJCIARQ-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC000826449822 607806865 /nfs/dbraw/zinc/80/68/65/607806865.db2.gz KYZIUQZBJCIARQ-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)s1 ZINC000826330091 607846361 /nfs/dbraw/zinc/84/63/61/607846361.db2.gz FFPIKTJFPJDKSE-UHFFFAOYSA-N -2 3 365.444 1.498 20 0 FDADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825783125 607982830 /nfs/dbraw/zinc/98/28/30/607982830.db2.gz ZFPSFLSCPHQKNM-UHFFFAOYSA-N -2 3 352.351 1.665 20 0 FDADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825783125 607982831 /nfs/dbraw/zinc/98/28/31/607982831.db2.gz ZFPSFLSCPHQKNM-UHFFFAOYSA-N -2 3 352.351 1.665 20 0 FDADHL Cc1cccc(S(=O)(=O)NCCCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC000826303353 608010851 /nfs/dbraw/zinc/01/08/51/608010851.db2.gz LFMIIOVGUDYOKK-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL Cc1cccc(S(=O)(=O)NCCCCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC000826303353 608010852 /nfs/dbraw/zinc/01/08/52/608010852.db2.gz LFMIIOVGUDYOKK-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824235807 608011226 /nfs/dbraw/zinc/01/12/26/608011226.db2.gz KGJOGEMRLBJYBY-JTQLQIEISA-N -2 3 373.822 1.298 20 0 FDADHL CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC000824235807 608011227 /nfs/dbraw/zinc/01/12/27/608011227.db2.gz KGJOGEMRLBJYBY-JTQLQIEISA-N -2 3 373.822 1.298 20 0 FDADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493206 608101672 /nfs/dbraw/zinc/10/16/72/608101672.db2.gz YQUVEKWQRGBNFX-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493206 608101673 /nfs/dbraw/zinc/10/16/73/608101673.db2.gz YQUVEKWQRGBNFX-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C12CCC(CC1)C2 ZINC000826449860 608141369 /nfs/dbraw/zinc/14/13/69/608141369.db2.gz MKOXDKRVTYFTSO-UHFFFAOYSA-N -2 3 361.427 1.393 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C12CCC(CC1)C2 ZINC000826449860 608141370 /nfs/dbraw/zinc/14/13/70/608141370.db2.gz MKOXDKRVTYFTSO-UHFFFAOYSA-N -2 3 361.427 1.393 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccnc1C1CC1 ZINC000826450190 608141402 /nfs/dbraw/zinc/14/14/02/608141402.db2.gz AKRXYDLTZIATOL-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccnc1C1CC1 ZINC000826450190 608141403 /nfs/dbraw/zinc/14/14/03/608141403.db2.gz AKRXYDLTZIATOL-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826455767 608214285 /nfs/dbraw/zinc/21/42/85/608214285.db2.gz CPIOXQOOGSLDTF-CQSZACIVSA-N -2 3 365.328 1.593 20 0 FDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826455767 608214286 /nfs/dbraw/zinc/21/42/86/608214286.db2.gz CPIOXQOOGSLDTF-CQSZACIVSA-N -2 3 365.328 1.593 20 0 FDADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1 ZINC000824135895 608306580 /nfs/dbraw/zinc/30/65/80/608306580.db2.gz KBJBNDXORZYOFB-UHFFFAOYSA-N -2 3 353.433 1.750 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449708 608474039 /nfs/dbraw/zinc/47/40/39/608474039.db2.gz GKJVTBHPINJFMR-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449708 608474041 /nfs/dbraw/zinc/47/40/41/608474041.db2.gz GKJVTBHPINJFMR-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825049368 609147382 /nfs/dbraw/zinc/14/73/82/609147382.db2.gz BGPJCBXPCLPHIN-MWLCHTKSSA-N -2 3 351.432 1.662 20 0 FDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825049368 609147384 /nfs/dbraw/zinc/14/73/84/609147384.db2.gz BGPJCBXPCLPHIN-MWLCHTKSSA-N -2 3 351.432 1.662 20 0 FDADHL CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000825736205 609341420 /nfs/dbraw/zinc/34/14/20/609341420.db2.gz XRIRMAMAIKNDQR-UHFFFAOYSA-N -2 3 354.779 1.871 20 0 FDADHL CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000825736205 609341422 /nfs/dbraw/zinc/34/14/22/609341422.db2.gz XRIRMAMAIKNDQR-UHFFFAOYSA-N -2 3 354.779 1.871 20 0 FDADHL CC(=O)c1ccc([O-])c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024756 609350565 /nfs/dbraw/zinc/35/05/65/609350565.db2.gz OAUGJKYNJAMZME-UHFFFAOYSA-N -2 3 353.338 1.792 20 0 FDADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826233838 609519490 /nfs/dbraw/zinc/51/94/90/609519490.db2.gz XHFIZZIOGYXSDL-UHFFFAOYSA-N -2 3 373.320 1.776 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCOC1 ZINC000824634326 609580036 /nfs/dbraw/zinc/58/00/36/609580036.db2.gz VPUDDDWIQNFXNQ-RKDXNWHRSA-N -2 3 373.385 1.238 20 0 FDADHL COCC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273691025 674563193 /nfs/dbraw/zinc/56/31/93/674563193.db2.gz MCFGCHHTTRRJQM-LURJTMIESA-N -2 3 372.262 1.912 20 0 FDADHL CC[C@H](COC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273734585 674567637 /nfs/dbraw/zinc/56/76/37/674567637.db2.gz KUOXPEYSLMWXCX-ZCFIWIBFSA-N -2 3 372.262 1.912 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000278245831 675111464 /nfs/dbraw/zinc/11/14/64/675111464.db2.gz WICISAMTYCWTQX-QMMMGPOBSA-N -2 3 369.848 1.785 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000278650983 675167495 /nfs/dbraw/zinc/16/74/95/675167495.db2.gz JRUFUORJUJWVNC-ZCFIWIBFSA-N -3 3 371.198 1.375 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)ccc1Br ZINC000049463353 671093304 /nfs/dbraw/zinc/09/33/04/671093304.db2.gz OPDHZXMGJLYUIQ-UHFFFAOYSA-N -2 3 350.238 1.658 20 0 FDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000070776393 671389390 /nfs/dbraw/zinc/38/93/90/671389390.db2.gz OYAKINRPVQDUGM-UHFFFAOYSA-N -2 3 356.448 1.071 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161824383 672013259 /nfs/dbraw/zinc/01/32/59/672013259.db2.gz YSHMPXLLNBNLQC-ZETCQYMHSA-N -2 3 354.197 1.977 20 0 FDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000263289132 672870213 /nfs/dbraw/zinc/87/02/13/672870213.db2.gz ZXTADZVGGQYESX-MRVPVSSYSA-N -2 3 361.807 1.901 20 0 FDADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(Br)cc2[O-])C1=O ZINC000292781850 676314006 /nfs/dbraw/zinc/31/40/06/676314006.db2.gz HBGCHPXSLQIBPG-ZDUSSCGKSA-N -2 3 356.176 1.520 20 0 FDADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000327039290 676588169 /nfs/dbraw/zinc/58/81/69/676588169.db2.gz UIAOKLZMDPVXOF-UHFFFAOYSA-N -2 3 365.363 1.819 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc(C(=O)[O-])c1F ZINC000327247249 676590338 /nfs/dbraw/zinc/59/03/38/676590338.db2.gz XPPLGMSFWAVKCF-UHFFFAOYSA-N -2 3 370.333 1.871 20 0 FDADHL COC(=O)[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420641574 680497352 /nfs/dbraw/zinc/49/73/52/680497352.db2.gz UNBWQGQXTXWQBJ-KOLCDFICSA-N -2 3 369.418 1.956 20 0 FDADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000421159625 680612183 /nfs/dbraw/zinc/61/21/83/680612183.db2.gz XBMZCYAEQNIEEU-GFCCVEGCSA-N -2 3 364.489 1.861 20 0 FDADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4[nH]nnc4c3)c1)CCC2 ZINC000426300708 680954746 /nfs/dbraw/zinc/95/47/46/680954746.db2.gz IQWYNFKDEXVGFT-UHFFFAOYSA-N -2 3 358.379 1.946 20 0 FDADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4n[nH]nc4c3)c1)CCC2 ZINC000426300708 680954747 /nfs/dbraw/zinc/95/47/47/680954747.db2.gz IQWYNFKDEXVGFT-UHFFFAOYSA-N -2 3 358.379 1.946 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436614981 681710027 /nfs/dbraw/zinc/71/00/27/681710027.db2.gz BTDZSZVGHYSWBB-UHFFFAOYSA-N -2 3 356.787 1.912 20 0 FDADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)NCCF)c1 ZINC000437680914 681807826 /nfs/dbraw/zinc/80/78/26/681807826.db2.gz IFIMPBFZKUNEMI-UHFFFAOYSA-N -2 3 368.386 1.901 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000460532146 684534095 /nfs/dbraw/zinc/53/40/95/684534095.db2.gz LYPHWHHBVLAZME-UHFFFAOYSA-N -2 3 364.305 1.340 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000460535933 684534388 /nfs/dbraw/zinc/53/43/88/684534388.db2.gz XFAYIVCCMCAZGW-UHFFFAOYSA-N -2 3 365.198 1.628 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000486799910 686934809 /nfs/dbraw/zinc/93/48/09/686934809.db2.gz SAKCFALOIUAXBO-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000486799910 686934812 /nfs/dbraw/zinc/93/48/12/686934812.db2.gz SAKCFALOIUAXBO-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])cn1 ZINC000514768393 689763359 /nfs/dbraw/zinc/76/33/59/689763359.db2.gz FGKLBWHINOYVIK-LLVKDONJSA-N -2 3 361.782 1.187 20 0 FDADHL O=C([O-])c1ncccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656179805 774052919 /nfs/dbraw/zinc/05/29/19/774052919.db2.gz ADFGSGGFNYXDND-PSASIEDQSA-N -2 3 368.333 1.558 20 0 FDADHL O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1F ZINC000683921491 774272819 /nfs/dbraw/zinc/27/28/19/774272819.db2.gz YLWMNEUUFLUHBC-ZDUSSCGKSA-N -2 3 357.297 1.657 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663291369 806348982 /nfs/dbraw/zinc/34/89/82/806348982.db2.gz NIFKEFIFZOAWLS-GFCCVEGCSA-N -2 3 370.452 1.887 20 0 FDADHL O=C(NC1(c2nnn[n-]2)CCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500585415 809252710 /nfs/dbraw/zinc/25/27/10/809252710.db2.gz BQBPKMZYABVVTP-UHFFFAOYSA-N -2 3 357.349 1.429 20 0 FDADHL O=C(NC1(c2nn[n-]n2)CCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500585415 809252713 /nfs/dbraw/zinc/25/27/13/809252713.db2.gz BQBPKMZYABVVTP-UHFFFAOYSA-N -2 3 357.349 1.429 20 0 FDADHL Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC000515383763 816237932 /nfs/dbraw/zinc/23/79/32/816237932.db2.gz WDFXAWULHOJMMH-CVEARBPZSA-N -2 3 355.394 1.668 20 0 FDADHL O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000899945762 846921804 /nfs/dbraw/zinc/92/18/04/846921804.db2.gz URJRPLNVGYBUBO-KCJUWKMLSA-N -2 3 351.783 1.637 20 0 FDADHL Cc1ccc(-n2[n-]c(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2=O)cc1 ZINC000482208441 847450107 /nfs/dbraw/zinc/45/01/07/847450107.db2.gz GGRYXMSFOZKPNS-UHFFFAOYSA-N -2 3 366.303 1.541 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-] ZINC000905988230 852480190 /nfs/dbraw/zinc/48/01/90/852480190.db2.gz VAOOUZQBFMNEQG-VIFPVBQESA-N -2 3 352.865 1.918 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000906001605 852498843 /nfs/dbraw/zinc/49/88/43/852498843.db2.gz QRHJQXDKISOZMT-KOLCDFICSA-N -2 3 351.783 1.780 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000906006127 852505151 /nfs/dbraw/zinc/50/51/51/852505151.db2.gz XCUWSVXCHCUIKH-QMMMGPOBSA-N -2 3 372.237 1.683 20 0 FDADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000912558196 859907548 /nfs/dbraw/zinc/90/75/48/859907548.db2.gz LUIDPDWBSIYAII-VIFPVBQESA-N -2 3 373.412 1.061 20 0 FDADHL COC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761237441 864536838 /nfs/dbraw/zinc/53/68/38/864536838.db2.gz BNCJWTSGXQOPIX-RXMQYKEDSA-N -2 3 358.235 1.522 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)o1 ZINC000740172806 901504469 /nfs/dbraw/zinc/50/44/69/901504469.db2.gz IBNVXFBMKUEZMZ-ZDUSSCGKSA-N -2 3 361.379 1.894 20 0 FDADHL Cc1cc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000534543214 911308177 /nfs/dbraw/zinc/30/81/77/911308177.db2.gz LNUJBBPSTNNMRD-CQSZACIVSA-N -2 3 365.393 1.661 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(C3CC3)no2)o1 ZINC000734875171 923793248 /nfs/dbraw/zinc/79/32/48/923793248.db2.gz SPCJAGLKTCIMJW-UHFFFAOYSA-N -2 3 354.388 1.869 20 0 FDADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000787934870 932458880 /nfs/dbraw/zinc/45/88/80/932458880.db2.gz RAPSNCBGZXSTOF-VIFPVBQESA-N -2 3 368.180 1.299 20 0 FDADHL COC(=O)C1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195258914 970798729 /nfs/dbraw/zinc/79/87/29/970798729.db2.gz TXIGAZDHXXVTRE-UHFFFAOYSA-N -2 3 363.338 1.141 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(CC(F)(F)F)C2)c(F)cc1F ZINC001195267520 970804057 /nfs/dbraw/zinc/80/40/57/970804057.db2.gz DNNKSNYDEXLYPJ-UHFFFAOYSA-N -2 3 374.287 1.188 20 0 FDADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCOC1 ZINC000819107974 943423747 /nfs/dbraw/zinc/42/37/47/943423747.db2.gz SMIPVDAFBNNCGU-LBPRGKRZSA-N -2 3 368.333 1.403 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000824737453 946919108 /nfs/dbraw/zinc/91/91/08/946919108.db2.gz HKLQKAKQOFLCMF-LLVKDONJSA-N -2 3 367.365 1.900 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c(F)cc1F ZINC000844900022 948488318 /nfs/dbraw/zinc/48/83/18/948488318.db2.gz ZHSORAFZLFLTDX-NOZJJQNGSA-N -2 3 361.366 1.899 20 0 FDADHL C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574687374 948948247 /nfs/dbraw/zinc/94/82/47/948948247.db2.gz OLYJIMWIVLFUNJ-VIFPVBQESA-N -2 3 372.364 1.122 20 0 FDADHL C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ncccc1[O-] ZINC001574687374 948948260 /nfs/dbraw/zinc/94/82/60/948948260.db2.gz OLYJIMWIVLFUNJ-VIFPVBQESA-N -2 3 372.364 1.122 20 0 FDADHL O=C(NC1C(=O)N=CN=C1[O-])c1cc([O-])cc(I)c1 ZINC001196401406 971664956 /nfs/dbraw/zinc/66/49/56/971664956.db2.gz IWGFKLWKXRGOTB-UHFFFAOYSA-N -2 3 373.106 1.450 20 0 FDADHL CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC001571015843 951305233 /nfs/dbraw/zinc/30/52/33/951305233.db2.gz WMHNVSHKGWAGGZ-CYBMUJFWSA-N -2 3 365.346 1.207 20 0 FDADHL CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1F ZINC001571015843 951305244 /nfs/dbraw/zinc/30/52/44/951305244.db2.gz WMHNVSHKGWAGGZ-CYBMUJFWSA-N -2 3 365.346 1.207 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770397 951585156 /nfs/dbraw/zinc/58/51/56/951585156.db2.gz APQKCRQFNSOFBC-FKTZTGRPSA-N -2 3 363.867 1.796 20 0 FDADHL Cc1ncc(CO)c(C(=O)Nc2nc[n-]c(=O)c2Br)c1[O-] ZINC001147834715 952544679 /nfs/dbraw/zinc/54/46/79/952544679.db2.gz YRDDSACJVJDGFJ-UHFFFAOYSA-N -2 3 355.148 1.098 20 0 FDADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926460 952830593 /nfs/dbraw/zinc/83/05/93/952830593.db2.gz NIRSVHWZJNUVIZ-UHFFFAOYSA-N -3 3 361.339 1.071 20 0 FDADHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000389278625 972215872 /nfs/dbraw/zinc/21/58/72/972215872.db2.gz KCVIIAQLMYXORD-NTSWFWBYSA-N -2 3 370.246 1.913 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])cc1F ZINC001594059503 958084423 /nfs/dbraw/zinc/08/44/23/958084423.db2.gz UTYMCDRRVYCWAH-SECBINFHSA-N -2 3 351.371 1.999 20 0 FDADHL COc1cccc([O-])c1C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594131788 958682377 /nfs/dbraw/zinc/68/23/77/958682377.db2.gz MSIDDAXOIXKKEZ-VXGBXAGGSA-N -2 3 359.382 1.465 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001594162707 958914376 /nfs/dbraw/zinc/91/43/76/958914376.db2.gz VCWQBRCSHHNZTH-FXFPPZPYSA-N -2 3 360.457 1.621 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-]CCCCCC(=O)[O-])C1CCCCC1 ZINC001594162896 958918427 /nfs/dbraw/zinc/91/84/27/958918427.db2.gz YWLWNXCCKINXGP-NRFANRHFSA-N -2 3 354.494 1.896 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc1Cl ZINC001574456484 961514040 /nfs/dbraw/zinc/51/40/40/961514040.db2.gz LNIFHQIBTQWMMV-WDEREUQCSA-N -2 3 355.803 1.665 20 0 FDADHL O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC=CCC1 ZINC001574568042 962050659 /nfs/dbraw/zinc/05/06/59/962050659.db2.gz WSXBMHSHVZZXHZ-NHYWBVRUSA-N -2 3 362.348 1.715 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001573345364 962933602 /nfs/dbraw/zinc/93/36/02/962933602.db2.gz QOQCXBUPGMICGM-GFCCVEGCSA-N -2 3 370.365 1.676 20 0 FDADHL COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175433236 963202004 /nfs/dbraw/zinc/20/20/04/963202004.db2.gz UBKLLLJFEBZIPC-UHFFFAOYSA-N -2 3 374.382 1.655 20 0 FDADHL COC(=O)C([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)=C(C)[O-] ZINC001184528959 963635165 /nfs/dbraw/zinc/63/51/65/963635165.db2.gz LKKMZDPIIURQAL-NSHDSACASA-N -2 3 354.211 1.543 20 0 FDADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001184532610 963635991 /nfs/dbraw/zinc/63/59/91/963635991.db2.gz MZFYSIGULLQNPR-UHFFFAOYSA-N -2 3 354.211 1.847 20 0 FDADHL Cn1ccc(C(=O)Nc2ncc([O-])cc2Br)c1CC(=O)[O-] ZINC001177363837 963802194 /nfs/dbraw/zinc/80/21/94/963802194.db2.gz UFQWXAUKUHLPBA-UHFFFAOYSA-N -2 3 354.160 1.768 20 0 FDADHL Cc1cc2ncc(C)c([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)n2n1 ZINC001185566961 963979881 /nfs/dbraw/zinc/97/98/81/963979881.db2.gz YAVVAMSMXLBVEV-UHFFFAOYSA-N -2 3 370.398 1.327 20 0 FDADHL Cc1cc2ncc(C)c([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC001185566961 963979885 /nfs/dbraw/zinc/97/98/85/963979885.db2.gz YAVVAMSMXLBVEV-UHFFFAOYSA-N -2 3 370.398 1.327 20 0 FDADHL Cc1cn2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC001185567301 963980990 /nfs/dbraw/zinc/98/09/90/963980990.db2.gz ZSCXNQYAXXWTHG-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL Cc1cn2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC001185567301 963980994 /nfs/dbraw/zinc/98/09/94/963980994.db2.gz ZSCXNQYAXXWTHG-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL Cn1cc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC001185598844 963998122 /nfs/dbraw/zinc/99/81/22/963998122.db2.gz WMTXRLICXUXQSV-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cn1cc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC001185598844 963998124 /nfs/dbraw/zinc/99/81/24/963998124.db2.gz WMTXRLICXUXQSV-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C(N)=O ZINC001186184266 964334874 /nfs/dbraw/zinc/33/48/74/964334874.db2.gz QXJHSCXMVHMNFK-UHFFFAOYSA-N -2 3 368.342 1.432 20 0 FDADHL O=C(CCC(=O)N1CCc2ccccc21)NCCCCP(=O)([O-])[O-] ZINC001180029274 965083156 /nfs/dbraw/zinc/08/31/56/965083156.db2.gz CNWKAEZUVJMCSM-UHFFFAOYSA-N -2 3 354.343 1.430 20 0 FDADHL COc1ccc(C2(C(=O)NCCCCP(=O)([O-])[O-])CCOCC2)cc1 ZINC001180599849 965433415 /nfs/dbraw/zinc/43/34/15/965433415.db2.gz BXTWEFFAGDXHKU-UHFFFAOYSA-N -2 3 371.370 1.818 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1F ZINC000776572379 967112443 /nfs/dbraw/zinc/11/24/43/967112443.db2.gz WMRKOFWBSQLGLN-VIFPVBQESA-N -2 3 365.354 1.529 20 0 FDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000775299296 967219001 /nfs/dbraw/zinc/21/90/01/967219001.db2.gz CDALHJLJFSBHGD-UHFFFAOYSA-N -2 3 365.411 1.245 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H](O)c1ccccc1 ZINC000776594911 967287913 /nfs/dbraw/zinc/28/79/13/967287913.db2.gz DNCAGEFMCCCLNL-HUUCEWRRSA-N -2 3 371.361 1.571 20 0 FDADHL Cc1ccc([O-])c(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001189914230 967377802 /nfs/dbraw/zinc/37/78/02/967377802.db2.gz GKUZXEGBWHXXPZ-UHFFFAOYSA-N -3 3 352.324 1.293 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)c1ccccc1 ZINC000776600546 967404188 /nfs/dbraw/zinc/40/41/88/967404188.db2.gz JLHPMLYBDCOVGV-UONOGXRCSA-N -2 3 373.789 1.944 20 0 FDADHL O=C([O-])c1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852738332 967568301 /nfs/dbraw/zinc/56/83/01/967568301.db2.gz YRNJJPJPIJMLAA-NEPJUHHUSA-N -3 3 374.315 1.481 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000853069884 967802742 /nfs/dbraw/zinc/80/27/42/967802742.db2.gz SQIPRVYUBCMZCI-NSHDSACASA-N -2 3 357.359 1.372 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000798406925 969178968 /nfs/dbraw/zinc/17/89/68/969178968.db2.gz QWPKWCMZHNEXPI-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc2c(c1)COC2 ZINC000852734511 969290018 /nfs/dbraw/zinc/29/00/18/969290018.db2.gz BRAKNLWRYSJJOZ-KBPBESRZSA-N -2 3 372.343 1.813 20 0 FDADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc2ccc([O-])cc2oc1=O ZINC001193024767 969437976 /nfs/dbraw/zinc/43/79/76/969437976.db2.gz TZMMDMKMDMRTTN-UHFFFAOYSA-N -2 3 355.368 1.582 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2=CCOCC2)c(Br)o1 ZINC000397734781 973016206 /nfs/dbraw/zinc/01/62/06/973016206.db2.gz FOUHPERWLNXZCQ-UHFFFAOYSA-N -2 3 366.189 1.365 20 0 FDADHL O=C([O-])CC1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCOCC1 ZINC001606071554 973218357 /nfs/dbraw/zinc/21/83/57/973218357.db2.gz IPSIXYFTPBRJIU-JOCQHMNTSA-N -2 3 363.414 1.596 20 0 FDADHL COC[C@]1(C(=O)[O-])CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC001604563717 973619369 /nfs/dbraw/zinc/61/93/69/973619369.db2.gz BDCAJGONDZKGAC-SFHVURJKSA-N -2 3 363.366 1.109 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnc(OCC(F)(F)F)n1 ZINC001199190294 973998771 /nfs/dbraw/zinc/99/87/71/973998771.db2.gz CUPXRPBGWZCFCI-UHFFFAOYSA-N -2 3 357.225 1.105 20 0 FDADHL C[C@](CC(=O)[O-])(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccncc1 ZINC001592296726 977629498 /nfs/dbraw/zinc/62/94/98/977629498.db2.gz HDJIVOIZAVZTEF-GOSISDBHSA-N -2 3 368.349 1.477 20 0 FDADHL C[C@](CC(=O)[O-])(NC(=O)c1nnc2ccccc2c1[O-])c1ccncc1 ZINC001592319136 977707854 /nfs/dbraw/zinc/70/78/54/977707854.db2.gz AKHFGIGDRRXVPJ-GOSISDBHSA-N -2 3 352.350 1.850 20 0 FDADHL C[C@@](CCF)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001592508059 978332735 /nfs/dbraw/zinc/33/27/35/978332735.db2.gz RKZXCACDXGIJOP-QKVFXAPYSA-N -2 3 352.409 1.181 20 0 FDADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])c1 ZINC000776486841 978626268 /nfs/dbraw/zinc/62/62/68/978626268.db2.gz XOTUBQRYKXJBSV-LBPRGKRZSA-N -2 3 370.814 1.718 20 0 FDADHL 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CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000417423472 538034213 /nfs/dbraw/zinc/03/42/13/538034213.db2.gz RBSPXYNWJZAGRD-QMMMGPOBSA-N -2 3 373.822 1.394 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000417423472 538034216 /nfs/dbraw/zinc/03/42/16/538034216.db2.gz RBSPXYNWJZAGRD-QMMMGPOBSA-N -2 3 373.822 1.394 20 0 FDADHL C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(N)=O ZINC000427282917 538189461 /nfs/dbraw/zinc/18/94/61/538189461.db2.gz GPRRYXLYMFLBBG-RNCFNFMXSA-N -2 3 368.436 1.382 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433806021 538273935 /nfs/dbraw/zinc/27/39/35/538273935.db2.gz OHAWIDWXBCGHDP-UHFFFAOYSA-N -3 3 350.352 1.850 20 0 FDADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481607054 538538927 /nfs/dbraw/zinc/53/89/27/538538927.db2.gz KFTHGXVUNMCCPH-UHFFFAOYSA-N -2 3 351.384 1.863 20 0 FDADHL CCCc1nc(=NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)s[n-]1 ZINC000502625673 538749731 /nfs/dbraw/zinc/74/97/31/538749731.db2.gz APNOKYTVFXCIBM-MRVPVSSYSA-N -2 3 360.486 1.280 20 0 FDADHL O=C(CNC(=O)c1ncccc1[O-])Nc1cc(C(F)(F)F)ccc1[O-] ZINC000485964597 538857877 /nfs/dbraw/zinc/85/78/77/538857877.db2.gz CDUKSAKAUHVGMZ-UHFFFAOYSA-N -2 3 355.272 1.880 20 0 FDADHL C[C@H](Sc1ccc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)cc1)C(=O)[O-] ZINC000563227524 546454246 /nfs/dbraw/zinc/45/42/46/546454246.db2.gz XRRWBYCCTIOWIK-UWVGGRQHSA-N -2 3 360.457 1.470 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]Cc1c(C)noc1C ZINC000564725936 547016955 /nfs/dbraw/zinc/01/69/55/547016955.db2.gz GHTMJXRTDNNSPL-UHFFFAOYSA-N -2 3 358.347 1.616 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000564838881 547060549 /nfs/dbraw/zinc/06/05/49/547060549.db2.gz LDOGGEQKVPMADO-HQJQHLMTSA-N -2 3 354.211 1.761 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1ccco1 ZINC000564921288 547104482 /nfs/dbraw/zinc/10/44/82/547104482.db2.gz WAJZXKXNOXTXST-CYBMUJFWSA-N -2 3 355.368 1.409 20 0 FDADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cnn(C(C)C)c2)sc1C(=O)[O-] ZINC000564925609 547107760 /nfs/dbraw/zinc/10/77/60/547107760.db2.gz DMILDTISOSHOST-VIFPVBQESA-N -2 3 358.445 1.967 20 0 FDADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000564977961 547139675 /nfs/dbraw/zinc/13/96/75/547139675.db2.gz IJHJSCMGDGNEDO-LBPRGKRZSA-N -2 3 372.418 1.350 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000564984589 547144238 /nfs/dbraw/zinc/14/42/38/547144238.db2.gz YIHHNZHOORIPPV-LLVKDONJSA-N -2 3 360.363 1.428 20 0 FDADHL COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC000565655326 547433954 /nfs/dbraw/zinc/43/39/54/547433954.db2.gz QSNFLLCDMNSFGT-JTQLQIEISA-N -2 3 369.399 1.590 20 0 FDADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000565821193 547493469 /nfs/dbraw/zinc/49/34/69/547493469.db2.gz RVMUDSOBPNLUKY-BDAKNGLRSA-N -2 3 374.390 1.818 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H]1C(C)C ZINC000566173302 547639614 /nfs/dbraw/zinc/63/96/14/547639614.db2.gz KFDXJSRMBMLONT-JOYOIKCWSA-N -2 3 363.457 1.794 20 0 FDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000566185011 547648081 /nfs/dbraw/zinc/64/80/81/547648081.db2.gz SVQPIWZHGHGAKC-ZDUSSCGKSA-N -2 3 371.333 1.585 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCSC1 ZINC000567585798 548171697 /nfs/dbraw/zinc/17/16/97/548171697.db2.gz WAYASSWJTBSMEH-JTQLQIEISA-N -2 3 356.347 1.339 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000567692059 548216215 /nfs/dbraw/zinc/21/62/15/548216215.db2.gz NOCDISVMUBDEOI-ZKCHVHJHSA-N -2 3 364.217 1.599 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1OC)C(=O)[O-] ZINC000568108845 548402021 /nfs/dbraw/zinc/40/20/21/548402021.db2.gz PJMSCJRZPGINRJ-MRVPVSSYSA-N -2 3 370.196 1.738 20 0 FDADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000569451102 548921192 /nfs/dbraw/zinc/92/11/92/548921192.db2.gz VQWUPKZRZRLACO-LLVKDONJSA-N -2 3 360.363 1.428 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]C1(C(=O)[O-])Cc2ccccc2C1 ZINC000569549394 548956737 /nfs/dbraw/zinc/95/67/37/548956737.db2.gz WXUICNACNQVQHA-UHFFFAOYSA-N -2 3 353.421 1.657 20 0 FDADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000570672762 549369356 /nfs/dbraw/zinc/36/93/56/549369356.db2.gz LUJMUVJXVNTYAZ-MRVPVSSYSA-N -2 3 373.374 1.912 20 0 FDADHL O=C([O-])COCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000570949718 549472313 /nfs/dbraw/zinc/47/23/13/549472313.db2.gz IJYVGBLRVOLDJV-UHFFFAOYSA-N -2 3 361.725 1.738 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000571027312 549497367 /nfs/dbraw/zinc/49/73/67/549497367.db2.gz FUAVBHIDLLYKFD-GFCCVEGCSA-N -2 3 364.383 1.142 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000571952447 549810560 /nfs/dbraw/zinc/81/05/60/549810560.db2.gz YJGGPBSADRWPKC-ONGXEEELSA-N -2 3 356.227 1.886 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000571996499 549819801 /nfs/dbraw/zinc/81/98/01/549819801.db2.gz DNPSUBMONMXFRZ-RAIGVLPGSA-N -2 3 373.402 1.768 20 0 FDADHL CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000572032958 549827978 /nfs/dbraw/zinc/82/79/78/549827978.db2.gz AVFKZDDLMKHBNZ-ONGXEEELSA-N -2 3 362.473 1.961 20 0 FDADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000572231366 549870144 /nfs/dbraw/zinc/87/01/44/549870144.db2.gz KFRIFDZUFGPYAE-QMMMGPOBSA-N -2 3 356.709 1.896 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000572616515 549956676 /nfs/dbraw/zinc/95/66/76/549956676.db2.gz FUWIMRLHUYZAPX-GHMZBOCLSA-N -2 3 361.489 1.655 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000573364512 550121603 /nfs/dbraw/zinc/12/16/03/550121603.db2.gz LTVBGEOMCVDHGD-CYBMUJFWSA-N -2 3 369.420 1.796 20 0 FDADHL CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576155910 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352.354 1.538 20 0 FDADHL CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000578992476 550823609 /nfs/dbraw/zinc/82/36/09/550823609.db2.gz TXZJKYLSAZBMMG-CQSZACIVSA-N -2 3 372.397 1.867 20 0 FDADHL Cc1nc(CC[N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)sc1C(=O)[O-] ZINC000579081195 550832787 /nfs/dbraw/zinc/83/27/87/550832787.db2.gz RLFLHUGVKHEZGH-UHFFFAOYSA-N -2 3 372.472 1.528 20 0 FDADHL O=C([O-])CN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000581710201 551125019 /nfs/dbraw/zinc/12/50/19/551125019.db2.gz CDYJODMKMKQNDE-UHFFFAOYSA-N -2 3 367.361 1.731 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)F ZINC000582206083 551190829 /nfs/dbraw/zinc/19/08/29/551190829.db2.gz NXPGIMOWZUYLTG-LURJTMIESA-N -2 3 362.276 1.735 20 0 FDADHL COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000582782615 551266408 /nfs/dbraw/zinc/26/64/08/551266408.db2.gz GDZUBXMUOYUDMW-UHFFFAOYSA-N -2 3 355.368 1.516 20 0 FDADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C2CC2)n1 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MDFXFOOZXSDXHX-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000590695263 551806197 /nfs/dbraw/zinc/80/61/97/551806197.db2.gz MDFXFOOZXSDXHX-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000592444824 551996423 /nfs/dbraw/zinc/99/64/23/551996423.db2.gz HMXHDDQYSQYOMB-LLVKDONJSA-N -2 3 361.391 1.780 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC)c(F)c1 ZINC000593218304 552074097 /nfs/dbraw/zinc/07/40/97/552074097.db2.gz PDZGJUJJZJGARZ-ZANVPECISA-N -2 3 361.391 1.780 20 0 FDADHL CCc1nc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])cn1CC1CC1 ZINC000596033710 552646992 /nfs/dbraw/zinc/64/69/92/552646992.db2.gz XNZWKSDSERHTTK-NSHDSACASA-N -2 3 361.489 1.340 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC)C1CC1 ZINC000600654802 553292158 /nfs/dbraw/zinc/29/21/58/553292158.db2.gz FROWESBQAYQOCG-LLVKDONJSA-N -2 3 374.415 1.145 20 0 FDADHL CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc([O-])cc(F)c1)C(F)(F)F ZINC000601977631 553498311 /nfs/dbraw/zinc/49/83/11/553498311.db2.gz ODGNPUAPCXILHZ-JTQLQIEISA-N -2 3 359.297 1.694 20 0 FDADHL COc1cc(C(=O)Nc2ncccc2[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000608348755 554259008 /nfs/dbraw/zinc/25/90/08/554259008.db2.gz ZMZVMLIPHDPULQ-UHFFFAOYSA-N -2 3 367.383 1.428 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c[n-]1 ZINC000618906669 555694175 /nfs/dbraw/zinc/69/41/75/555694175.db2.gz SOWOQAYSTVLQLW-UHFFFAOYSA-N -2 3 353.356 1.174 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)[n-]1 ZINC000618906669 555694176 /nfs/dbraw/zinc/69/41/76/555694176.db2.gz SOWOQAYSTVLQLW-UHFFFAOYSA-N -2 3 353.356 1.174 20 0 FDADHL CCOC(=O)c1nc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c[n-]1 ZINC000619447637 555778297 /nfs/dbraw/zinc/77/82/97/555778297.db2.gz IMHWKSJLDFFTFR-UHFFFAOYSA-N -2 3 372.385 1.523 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)[n-]1 ZINC000619447637 555778302 /nfs/dbraw/zinc/77/83/02/555778302.db2.gz IMHWKSJLDFFTFR-UHFFFAOYSA-N -2 3 372.385 1.523 20 0 FDADHL C[C@@]1(c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000621584897 556115496 /nfs/dbraw/zinc/11/54/96/556115496.db2.gz LCPPEAJEWGPPSA-KUHUBIRLSA-N -2 3 373.409 1.505 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000621584989 556115511 /nfs/dbraw/zinc/11/55/11/556115511.db2.gz NILAKLQLPHQZLL-GXFFZTMASA-N -2 3 374.484 1.565 20 0 FDADHL COc1cc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(C(=O)[O-])cc1OC ZINC000629292157 557754276 /nfs/dbraw/zinc/75/42/76/557754276.db2.gz BLEGVLGUNOERMN-SECBINFHSA-N -2 3 359.400 1.711 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2nc(C(=O)[O-])cs2)c1 ZINC000629310032 557759969 /nfs/dbraw/zinc/75/99/69/557759969.db2.gz ROSNFELYEQQRHM-VIFPVBQESA-N -2 3 358.445 1.733 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c(C)o1 ZINC000630287541 557895230 /nfs/dbraw/zinc/89/52/30/557895230.db2.gz YZRJZCNZJUTJMF-NTZNESFSSA-N -2 3 370.427 1.212 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000630424225 557908269 /nfs/dbraw/zinc/90/82/69/557908269.db2.gz VOCOYCUMUGGYSN-KOLCDFICSA-N -2 3 353.318 1.616 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCOC1 ZINC000630431046 557909092 /nfs/dbraw/zinc/90/90/92/557909092.db2.gz BIDSIMJIHLVBHM-CYBMUJFWSA-N -2 3 367.345 1.865 20 0 FDADHL O=C([O-])c1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000630456825 557911334 /nfs/dbraw/zinc/91/13/34/557911334.db2.gz UTTRWUJJXHTNSY-UHFFFAOYSA-N -2 3 373.481 1.850 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000632493194 558164249 /nfs/dbraw/zinc/16/42/49/558164249.db2.gz MTBMIBKVVVURQH-WCQYABFASA-N -2 3 362.448 1.664 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1ccccc1 ZINC000737297584 598974432 /nfs/dbraw/zinc/97/44/32/598974432.db2.gz CUWNMCDFHFDIGV-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1ccccc1 ZINC000737297584 598974434 /nfs/dbraw/zinc/97/44/34/598974434.db2.gz CUWNMCDFHFDIGV-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822541847 607256139 /nfs/dbraw/zinc/25/61/39/607256139.db2.gz RDIHKRYYAQLLLI-UHFFFAOYSA-N -3 3 363.355 1.576 20 0 FDADHL COCCS(=O)(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737013870 599029485 /nfs/dbraw/zinc/02/94/85/599029485.db2.gz MIPRZBLWPQWIPO-UHFFFAOYSA-N -2 3 366.428 1.378 20 0 FDADHL COCCS(=O)(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737013870 599029486 /nfs/dbraw/zinc/02/94/86/599029486.db2.gz MIPRZBLWPQWIPO-UHFFFAOYSA-N -2 3 366.428 1.378 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccc1 ZINC000737299510 599220945 /nfs/dbraw/zinc/22/09/45/599220945.db2.gz RAIWTUAGAULJOY-LBPRGKRZSA-N -2 3 374.426 1.433 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccc1 ZINC000737299510 599220947 /nfs/dbraw/zinc/22/09/47/599220947.db2.gz RAIWTUAGAULJOY-LBPRGKRZSA-N -2 3 374.426 1.433 20 0 FDADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000821708453 599233086 /nfs/dbraw/zinc/23/30/86/599233086.db2.gz QCKOGDIGESKDBD-UHFFFAOYSA-N -2 3 360.399 1.688 20 0 FDADHL C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000485864053 597328871 /nfs/dbraw/zinc/32/88/71/597328871.db2.gz PFYABYHJSVMWGW-QMMMGPOBSA-N -2 3 355.347 1.158 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000818985528 597498878 /nfs/dbraw/zinc/49/88/78/597498878.db2.gz ISLLKLGCQMYFTF-ZDUSSCGKSA-N -2 3 356.382 1.006 20 0 FDADHL O=c1[n-]c(CCCNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)n[nH]1 ZINC000823665557 607348557 /nfs/dbraw/zinc/34/85/57/607348557.db2.gz PTEVSHAQWVNELX-UHFFFAOYSA-N -2 3 354.296 1.754 20 0 FDADHL O=c1[n-]c(CCCNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)n[nH]1 ZINC000823665557 607348558 /nfs/dbraw/zinc/34/85/58/607348558.db2.gz PTEVSHAQWVNELX-UHFFFAOYSA-N -2 3 354.296 1.754 20 0 FDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737160104 598373905 /nfs/dbraw/zinc/37/39/05/598373905.db2.gz RWOIMMXPYPQHIY-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737160104 598373907 /nfs/dbraw/zinc/37/39/07/598373907.db2.gz RWOIMMXPYPQHIY-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737612901 598381709 /nfs/dbraw/zinc/38/17/09/598381709.db2.gz LUCXRWVFJMMKIK-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cc1sc2ncn([N-]C(=O)c3ccc(-c4nn[n-]n4)cn3)c(=O)c2c1C ZINC000737562621 598457351 /nfs/dbraw/zinc/45/73/51/598457351.db2.gz KULCQDNVHSBRAK-UHFFFAOYSA-N -2 3 368.382 1.034 20 0 FDADHL COc1ccccc1S([O-])=CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737156261 598492663 /nfs/dbraw/zinc/49/26/63/598492663.db2.gz RNGAZTWLQIJDPL-AREMUKBSSA-N -2 3 371.422 1.299 20 0 FDADHL Cc1cccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737412398 598492706 /nfs/dbraw/zinc/49/27/06/598492706.db2.gz XWTWNSHHFILCLT-RUZDIDTESA-N -2 3 355.423 1.599 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736881771 598512937 /nfs/dbraw/zinc/51/29/37/598512937.db2.gz KDGVJXDJRHMFID-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736881771 598512939 /nfs/dbraw/zinc/51/29/39/598512939.db2.gz KDGVJXDJRHMFID-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000738166791 598599364 /nfs/dbraw/zinc/59/93/64/598599364.db2.gz VVDPTDANYQCRLR-UHFFFAOYSA-N -2 3 368.288 1.008 20 0 FDADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000738166791 598599365 /nfs/dbraw/zinc/59/93/65/598599365.db2.gz VVDPTDANYQCRLR-UHFFFAOYSA-N -2 3 368.288 1.008 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cc(F)ccc1Cl ZINC000738345967 598638617 /nfs/dbraw/zinc/63/86/17/598638617.db2.gz TXJAZWVFWBDZCL-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc(F)ccc1Cl ZINC000738345967 598638619 /nfs/dbraw/zinc/63/86/19/598638619.db2.gz TXJAZWVFWBDZCL-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000819867464 599619695 /nfs/dbraw/zinc/61/96/95/599619695.db2.gz SLWLNUGDWVTYKL-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000819867464 599619696 /nfs/dbraw/zinc/61/96/96/599619696.db2.gz SLWLNUGDWVTYKL-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3cncn3)cc2)o1 ZINC000740176882 599768443 /nfs/dbraw/zinc/76/84/43/599768443.db2.gz WDOVRHKESCOGAG-UHFFFAOYSA-N -2 3 362.367 1.096 20 0 FDADHL CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736322389 599779027 /nfs/dbraw/zinc/77/90/27/599779027.db2.gz XMBVXSRWWIKBLY-UHFFFAOYSA-N -2 3 362.404 1.559 20 0 FDADHL Cc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(=O)[n-]1 ZINC000738845513 599988730 /nfs/dbraw/zinc/98/87/30/599988730.db2.gz SOKDSFMLTKYMRO-AWEZNQCLSA-N -2 3 351.309 1.562 20 0 FDADHL Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)C(=O)[O-])cc1 ZINC000738562726 600173905 /nfs/dbraw/zinc/17/39/05/600173905.db2.gz ZVFXQBRJWKFAHT-INIZCTEOSA-N -2 3 356.378 1.415 20 0 FDADHL O=C([O-])COc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000739825873 600261555 /nfs/dbraw/zinc/26/15/55/600261555.db2.gz MLLXTJVSJYISDS-UHFFFAOYSA-N -2 3 353.338 1.260 20 0 FDADHL O=C([O-])COc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000739825873 600261556 /nfs/dbraw/zinc/26/15/56/600261556.db2.gz MLLXTJVSJYISDS-UHFFFAOYSA-N -2 3 353.338 1.260 20 0 FDADHL O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(F)c1 ZINC000739443246 600510590 /nfs/dbraw/zinc/51/05/90/600510590.db2.gz XYTXXNGCDNIYEE-UHFFFAOYSA-N -2 3 350.277 1.624 20 0 FDADHL O=C([O-])CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237982933 600536168 /nfs/dbraw/zinc/53/61/68/600536168.db2.gz JPXOAPSNHHSZCD-UHFFFAOYSA-N -2 3 353.172 1.885 20 0 FDADHL COC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737746222 600631558 /nfs/dbraw/zinc/63/15/58/600631558.db2.gz IRMHDGABEQCDQN-LURJTMIESA-N -2 3 370.196 1.600 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(Br)c1 ZINC000035651713 600672681 /nfs/dbraw/zinc/67/26/81/600672681.db2.gz KZCGLTQUVCGSHF-UHFFFAOYSA-N -2 3 374.216 1.839 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)ccc1C(=O)[O-] ZINC000326657398 600888796 /nfs/dbraw/zinc/88/87/96/600888796.db2.gz ZYFZEOSQYLOTIQ-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nn1 ZINC000826130814 600962437 /nfs/dbraw/zinc/96/24/37/600962437.db2.gz RIBCPPUTRNTUST-UHFFFAOYSA-N -2 3 366.403 1.014 20 0 FDADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC000830585217 600991301 /nfs/dbraw/zinc/99/13/01/600991301.db2.gz SXQFPFQMEVQDHE-JTQLQIEISA-N -2 3 374.365 1.837 20 0 FDADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000828679022 601217612 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/nfs/dbraw/zinc/89/93/48/606899348.db2.gz AXTPEUZUUNQUCV-UHFFFAOYSA-N -2 3 367.387 1.494 20 0 FDADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820081621 607001835 /nfs/dbraw/zinc/00/18/35/607001835.db2.gz NVNRYPXRPYWMOH-UHFFFAOYSA-N -2 3 361.431 1.910 20 0 FDADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820081621 607001836 /nfs/dbraw/zinc/00/18/36/607001836.db2.gz NVNRYPXRPYWMOH-UHFFFAOYSA-N -2 3 361.431 1.910 20 0 FDADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2O1 ZINC000820607122 607034435 /nfs/dbraw/zinc/03/44/35/607034435.db2.gz IWBCMYZYLFPFIU-UHFFFAOYSA-N -2 3 372.410 1.776 20 0 FDADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2O1 ZINC000820607122 607034437 /nfs/dbraw/zinc/03/44/37/607034437.db2.gz IWBCMYZYLFPFIU-UHFFFAOYSA-N -2 3 372.410 1.776 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CC12CCC2 ZINC000823284809 607130853 /nfs/dbraw/zinc/13/08/53/607130853.db2.gz KGNITAVXJATXFO-JTQLQIEISA-N -2 3 367.818 1.515 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CC12CCC2 ZINC000823284809 607130856 /nfs/dbraw/zinc/13/08/56/607130856.db2.gz KGNITAVXJATXFO-JTQLQIEISA-N -2 3 367.818 1.515 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822907512 607185643 /nfs/dbraw/zinc/18/56/43/607185643.db2.gz QDADEVVJNSSHHI-UHFFFAOYSA-N -2 3 369.769 1.437 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822907512 607185644 /nfs/dbraw/zinc/18/56/44/607185644.db2.gz QDADEVVJNSSHHI-UHFFFAOYSA-N -2 3 369.769 1.437 20 0 FDADHL O=c1[n-]c(CCCNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)n[nH]1 ZINC000823665394 607228482 /nfs/dbraw/zinc/22/84/82/607228482.db2.gz JDQVQQCONQLJOU-UHFFFAOYSA-N -2 3 354.296 1.754 20 0 FDADHL O=c1[n-]c(CCCNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)n[nH]1 ZINC000823665394 607228483 /nfs/dbraw/zinc/22/84/83/607228483.db2.gz JDQVQQCONQLJOU-UHFFFAOYSA-N -2 3 354.296 1.754 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821491874 607250853 /nfs/dbraw/zinc/25/08/53/607250853.db2.gz AEKJUFUTBLSNPN-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821491874 607250854 /nfs/dbraw/zinc/25/08/54/607250854.db2.gz AEKJUFUTBLSNPN-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824235809 608011032 /nfs/dbraw/zinc/01/10/32/608011032.db2.gz KGJOGEMRLBJYBY-SNVBAGLBSA-N -2 3 373.822 1.298 20 0 FDADHL CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC000824235809 608011033 /nfs/dbraw/zinc/01/10/33/608011033.db2.gz KGJOGEMRLBJYBY-SNVBAGLBSA-N -2 3 373.822 1.298 20 0 FDADHL COc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826221453 608017171 /nfs/dbraw/zinc/01/71/71/608017171.db2.gz GVXHLPOBGCCBQU-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL COc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826221453 608017172 /nfs/dbraw/zinc/01/71/72/608017172.db2.gz GVXHLPOBGCCBQU-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000826279275 608142794 /nfs/dbraw/zinc/14/27/94/608142794.db2.gz LLDDRPYPJDXFIW-LBPRGKRZSA-N -2 3 371.422 1.784 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000826279275 608142795 /nfs/dbraw/zinc/14/27/95/608142795.db2.gz LLDDRPYPJDXFIW-LBPRGKRZSA-N -2 3 371.422 1.784 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225516 608182482 /nfs/dbraw/zinc/18/24/82/608182482.db2.gz UXDIWXYODXYPMU-CQSZACIVSA-N -2 3 365.459 1.885 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225516 608182483 /nfs/dbraw/zinc/18/24/83/608182483.db2.gz UXDIWXYODXYPMU-CQSZACIVSA-N -2 3 365.459 1.885 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225803 608331485 /nfs/dbraw/zinc/33/14/85/608331485.db2.gz LLHNPAVPAWMKPV-SECBINFHSA-N -2 3 355.445 1.203 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225803 608331487 /nfs/dbraw/zinc/33/14/87/608331487.db2.gz LLHNPAVPAWMKPV-SECBINFHSA-N -2 3 355.445 1.203 20 0 FDADHL O=C([N-]N1CCCC1=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826443965 609166980 /nfs/dbraw/zinc/16/69/80/609166980.db2.gz LMAYIIVUWDFLCA-UHFFFAOYSA-N -2 3 368.353 1.306 20 0 FDADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824465448 609254251 /nfs/dbraw/zinc/25/42/51/609254251.db2.gz PPLMPWYHEXKABA-UHFFFAOYSA-N -2 3 364.214 1.007 20 0 FDADHL CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824465448 609254252 /nfs/dbraw/zinc/25/42/52/609254252.db2.gz PPLMPWYHEXKABA-UHFFFAOYSA-N -2 3 364.214 1.007 20 0 FDADHL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2C1 ZINC000826146725 609469376 /nfs/dbraw/zinc/46/93/76/609469376.db2.gz BEPCRHHZOFUGGX-CYBMUJFWSA-N -2 3 372.410 1.176 20 0 FDADHL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2C1 ZINC000826146725 609469378 /nfs/dbraw/zinc/46/93/78/609469378.db2.gz BEPCRHHZOFUGGX-CYBMUJFWSA-N -2 3 372.410 1.176 20 0 FDADHL COc1cccc(CSC[C@@H]([N-]S(=O)(=O)c2ccco2)C(=O)[O-])c1 ZINC000277236245 674896528 /nfs/dbraw/zinc/89/65/28/674896528.db2.gz JZBDMFIYOYRHJU-CYBMUJFWSA-N -2 3 371.436 1.953 20 0 FDADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000031217928 670841191 /nfs/dbraw/zinc/84/11/91/670841191.db2.gz NDTIQUPBZVXUOP-UHFFFAOYSA-N -2 3 365.411 1.067 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c2cccnc12 ZINC000047251940 671027527 /nfs/dbraw/zinc/02/75/27/671027527.db2.gz OLJNJZOOAQZYKP-UHFFFAOYSA-N -2 3 358.379 1.262 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000278624983 675163143 /nfs/dbraw/zinc/16/31/43/675163143.db2.gz HOBVUOUPGDFCTA-LURJTMIESA-N -2 3 355.821 1.638 20 0 FDADHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000055558676 671236328 /nfs/dbraw/zinc/23/63/28/671236328.db2.gz FEBQSCJXRILVFD-UHFFFAOYSA-N -2 3 353.331 1.666 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CN1C1CC1 ZINC000185104704 672255704 /nfs/dbraw/zinc/25/57/04/672255704.db2.gz UKVFLCBJZYCYPD-RKDXNWHRSA-N -2 3 360.382 1.567 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccnn2)c(Br)o1 ZINC000236457251 672417038 /nfs/dbraw/zinc/41/70/38/672417038.db2.gz YUMWKCPFLZMEHT-UHFFFAOYSA-N -2 3 362.161 1.009 20 0 FDADHL CCC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nnn[n-]1 ZINC000267663926 673318702 /nfs/dbraw/zinc/31/87/02/673318702.db2.gz IRVQSLWJLCOLED-SNVBAGLBSA-N -2 3 351.436 1.316 20 0 FDADHL CCC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1nn[n-]n1 ZINC000267663926 673318703 /nfs/dbraw/zinc/31/87/03/673318703.db2.gz IRVQSLWJLCOLED-SNVBAGLBSA-N -2 3 351.436 1.316 20 0 FDADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000282049848 675591174 /nfs/dbraw/zinc/59/11/74/675591174.db2.gz TVRHNIRDSNIAPZ-ANLVUFKYSA-N -2 3 372.624 1.215 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(-c3cc[nH]n3)s2)s1 ZINC000431479995 681121203 /nfs/dbraw/zinc/12/12/03/681121203.db2.gz ZUMRIWQOTXCWAT-UHFFFAOYSA-N -2 3 370.441 1.614 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2c(Cl)cncc2Cl)s1 ZINC000432409839 681154867 /nfs/dbraw/zinc/15/48/67/681154867.db2.gz JLORREUFGUHSPK-UHFFFAOYSA-N -2 3 368.227 1.864 20 0 FDADHL CCCc1nc(=NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s[n-]1 ZINC000439565421 681935220 /nfs/dbraw/zinc/93/52/20/681935220.db2.gz ZBJHPKDYYZQMAA-LBPRGKRZSA-N -2 3 360.439 1.861 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c1 ZINC000512761579 689636971 /nfs/dbraw/zinc/63/69/71/689636971.db2.gz DVNQOCWWBBVQKE-UHFFFAOYSA-N -2 3 354.359 1.640 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)s1 ZINC000515536867 689870626 /nfs/dbraw/zinc/87/06/26/689870626.db2.gz OCVSQRNPFJHZCS-MRVPVSSYSA-N -2 3 370.399 1.019 20 0 FDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000520270617 690304211 /nfs/dbraw/zinc/30/42/11/690304211.db2.gz DEOALSYRVIPMNE-DTWKUNHWSA-N -2 3 368.333 1.259 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)c(F)c1 ZINC000641705260 696208150 /nfs/dbraw/zinc/20/81/50/696208150.db2.gz KOTGJXUSFOCNDO-QMMMGPOBSA-N -2 3 374.406 1.909 20 0 FDADHL CC(C)[C@@H](CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000655890986 772905688 /nfs/dbraw/zinc/90/56/88/772905688.db2.gz XRSRTVATHUJDBD-OAHLLOKOSA-N -2 3 363.414 1.216 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)oc1C(=O)[O-] ZINC000663423189 806986495 /nfs/dbraw/zinc/98/64/95/806986495.db2.gz RHZCGWRRISWASP-CYBMUJFWSA-N -2 3 353.396 1.731 20 0 FDADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000476409988 841235964 /nfs/dbraw/zinc/23/59/64/841235964.db2.gz LUXWKHQLLXCWLP-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL CCc1ccc(S(=O)(=O)[N-]c2n[n-]c3cc(C)n(C)c(=O)c32)s1 ZINC000903161849 849782916 /nfs/dbraw/zinc/78/29/16/849782916.db2.gz QCAQIOCIYREJRO-UHFFFAOYSA-N -2 3 352.441 1.995 20 0 FDADHL CSC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000906003915 852502535 /nfs/dbraw/zinc/50/25/35/852502535.db2.gz APHOCWFUFJGZRG-MRVPVSSYSA-N -2 3 372.237 1.683 20 0 FDADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000912559216 859908263 /nfs/dbraw/zinc/90/82/63/859908263.db2.gz VGBQJEQGACRHHR-BDAKNGLRSA-N -2 3 361.420 1.063 20 0 FDADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000761243363 864570735 /nfs/dbraw/zinc/57/07/35/864570735.db2.gz AEUINXCVKJPQOD-ZDUSSCGKSA-N -2 3 370.333 1.168 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(F)cc1F ZINC000761263395 864662143 /nfs/dbraw/zinc/66/21/43/864662143.db2.gz IEGICFXPIZRNNE-SNVBAGLBSA-N -2 3 369.345 1.945 20 0 FDADHL CC1CN(C(=O)c2ncccc2[O-])CCN(C(=O)c2ncccc2[O-])C1 ZINC000456703868 867053242 /nfs/dbraw/zinc/05/32/42/867053242.db2.gz RSLPNOPIBFPRGN-UHFFFAOYSA-N -2 3 356.382 1.122 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000765989717 878195558 /nfs/dbraw/zinc/19/55/58/878195558.db2.gz HJVZTPVAZBRHPT-UHFFFAOYSA-N -3 3 369.326 1.817 20 0 FDADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000764915778 905970990 /nfs/dbraw/zinc/97/09/90/905970990.db2.gz PWNIPWZOQYZNBF-VIFPVBQESA-N -2 3 365.354 1.673 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)ccc1[O-] ZINC000765014285 906179252 /nfs/dbraw/zinc/17/92/52/906179252.db2.gz QDAKWGLPORBBJB-UHFFFAOYSA-N -2 3 351.388 1.063 20 0 FDADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000765028176 906233210 /nfs/dbraw/zinc/23/32/10/906233210.db2.gz LFLBVLNMDCFRND-UHFFFAOYSA-N -2 3 359.692 1.330 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c[nH]1 ZINC000671645249 908516546 /nfs/dbraw/zinc/51/65/46/908516546.db2.gz XZCXACGCQNACQQ-QMMMGPOBSA-N -2 3 357.354 1.855 20 0 FDADHL CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772760541 933676660 /nfs/dbraw/zinc/67/66/60/933676660.db2.gz YHIWNGJXRLUWOX-UHFFFAOYSA-N -2 3 366.436 1.582 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000809553481 940861653 /nfs/dbraw/zinc/86/16/53/940861653.db2.gz XOPRZVJEXXFWPV-UHFFFAOYSA-N -2 3 364.383 1.387 20 0 FDADHL Cc1ccnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195255292 970797619 /nfs/dbraw/zinc/79/76/19/970797619.db2.gz WJACOSXMRNSCDW-UHFFFAOYSA-N -2 3 356.350 1.887 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cncn2CCF)c(F)cc1F ZINC001195263886 970801956 /nfs/dbraw/zinc/80/19/56/970801956.db2.gz NDCJTGMDBATOEN-UHFFFAOYSA-N -2 3 363.317 1.308 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822194291 945976556 /nfs/dbraw/zinc/97/65/56/945976556.db2.gz QQLDDRXYGNOZMU-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822194291 945976561 /nfs/dbraw/zinc/97/65/61/945976561.db2.gz QQLDDRXYGNOZMU-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589414 946451303 /nfs/dbraw/zinc/45/13/03/946451303.db2.gz YRVZYLOFUFLNTK-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)c1 ZINC000775672961 971259632 /nfs/dbraw/zinc/25/96/32/971259632.db2.gz VRGNXVYOWGKRLZ-UHFFFAOYSA-N -2 3 360.395 1.841 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c1 ZINC000844817106 948413926 /nfs/dbraw/zinc/41/39/26/948413926.db2.gz PJSWGPGHFJOPPM-VIFPVBQESA-N -2 3 359.375 1.534 20 0 FDADHL O=C([O-])CC1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCOCC1 ZINC001594983487 950994658 /nfs/dbraw/zinc/99/46/58/950994658.db2.gz CJFOYNJQWNIWRI-UHFFFAOYSA-N -2 3 364.785 1.935 20 0 FDADHL C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001571102747 952349926 /nfs/dbraw/zinc/34/99/26/952349926.db2.gz FWVYCHMVALDQEB-XCBNKYQSSA-N -2 3 373.314 1.294 20 0 FDADHL C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001571102747 952349929 /nfs/dbraw/zinc/34/99/29/952349929.db2.gz FWVYCHMVALDQEB-XCBNKYQSSA-N -2 3 373.314 1.294 20 0 FDADHL O=C([O-])[C@@H]1CC(C(=O)NCc2ccc([O-])c(F)c2)=NN1c1ccccc1 ZINC001594768684 953543688 /nfs/dbraw/zinc/54/36/88/953543688.db2.gz MDUNGPTXPZYXPY-HNNXBMFYSA-N 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959781113 /nfs/dbraw/zinc/78/11/13/959781113.db2.gz JEDWPDPQHQWPFJ-NSCUHMNNSA-N -2 3 358.354 1.144 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@@H](C(=O)[O-])C2CC2)s1 ZINC001588665182 960444332 /nfs/dbraw/zinc/44/43/32/960444332.db2.gz AVDHRVDCXXWWIK-VIFPVBQESA-N -2 3 361.445 1.269 20 0 FDADHL CCC(CC)(C(=O)[O-])C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001573776488 960689359 /nfs/dbraw/zinc/68/93/59/960689359.db2.gz SBJMRZYJEVVQAZ-UHFFFAOYSA-N -2 3 352.353 1.795 20 0 FDADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1coc(C=CC(=O)[O-])c1 ZINC001573905523 961451018 /nfs/dbraw/zinc/45/10/18/961451018.db2.gz LLCAEKCXWXMPPP-FYJFLYSWSA-N -2 3 374.353 1.650 20 0 FDADHL Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)N2 ZINC001184709002 963689385 /nfs/dbraw/zinc/68/93/85/963689385.db2.gz HEUCAYBUXUVKOF-HNNXBMFYSA-N -2 3 360.391 1.973 20 0 FDADHL O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185556162 963975257 /nfs/dbraw/zinc/97/52/57/963975257.db2.gz UNTJDESKSUIKPM-UHFFFAOYSA-N -2 3 360.330 1.948 20 0 FDADHL O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185556162 963975262 /nfs/dbraw/zinc/97/52/62/963975262.db2.gz UNTJDESKSUIKPM-UHFFFAOYSA-N -2 3 360.330 1.948 20 0 FDADHL Cc1nnc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccn12 ZINC001185567716 963980823 /nfs/dbraw/zinc/98/08/23/963980823.db2.gz DRFUPTBYSOGFHS-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cc1nnc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccn12 ZINC001185567716 963980826 /nfs/dbraw/zinc/98/08/26/963980826.db2.gz DRFUPTBYSOGFHS-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL COc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185574375 963985498 /nfs/dbraw/zinc/98/54/98/963985498.db2.gz UPGJMMVGVJUIBE-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL COc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185574375 963985503 /nfs/dbraw/zinc/98/55/03/963985503.db2.gz UPGJMMVGVJUIBE-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185604146 964001062 /nfs/dbraw/zinc/00/10/62/964001062.db2.gz CNQMEIJYZOVWLN-UHFFFAOYSA-N -2 3 359.367 1.576 20 0 FDADHL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185604146 964001070 /nfs/dbraw/zinc/00/10/70/964001070.db2.gz CNQMEIJYZOVWLN-UHFFFAOYSA-N -2 3 359.367 1.576 20 0 FDADHL O=S(=O)([N-]c1cccc2snnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185610245 964003789 /nfs/dbraw/zinc/00/37/89/964003789.db2.gz WNCPKFMHOUUBOB-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL O=S(=O)([N-]c1cccc2snnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185610245 964003794 /nfs/dbraw/zinc/00/37/94/964003794.db2.gz WNCPKFMHOUUBOB-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL O=C(OCc1ccccc1)[C@H]1C[C@]1(F)C(=O)NCCCCP(=O)([O-])[O-] ZINC001178873241 964511966 /nfs/dbraw/zinc/51/19/66/964511966.db2.gz KAELPZCLEZMLNH-CZUORRHYSA-N -2 3 373.317 1.532 20 0 FDADHL C[C@@]1(C(=O)NCCCCP(=O)([O-])[O-])CC(c2ccc(F)cc2)=NO1 ZINC001180457468 965339393 /nfs/dbraw/zinc/33/93/93/965339393.db2.gz DWHLFDWLAPVFGK-HNNXBMFYSA-N -2 3 358.306 1.783 20 0 FDADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])cccc1N1CCOCC1 ZINC001187481096 965414850 /nfs/dbraw/zinc/41/48/50/965414850.db2.gz CVTYHEGPUWQPBF-UHFFFAOYSA-N -2 3 356.359 1.519 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188451352 966323992 /nfs/dbraw/zinc/32/39/92/966323992.db2.gz LHFRKPMLMNPQBL-UHFFFAOYSA-N -2 3 359.315 1.949 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c1 ZINC000776583820 967140014 /nfs/dbraw/zinc/14/00/14/967140014.db2.gz MMVFPMHCMRKXRR-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL CN1CCc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc21 ZINC001192727440 969246061 /nfs/dbraw/zinc/24/60/61/969246061.db2.gz YLJHRSIVJXARNW-UHFFFAOYSA-N -2 3 362.407 1.943 20 0 FDADHL O=C(N[C@H]1C[C@H](O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283215 969611913 /nfs/dbraw/zinc/61/19/13/969611913.db2.gz GQKOIYSYJRHRCR-JOCQHMNTSA-N -2 3 362.407 1.446 20 0 FDADHL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194781983 970391197 /nfs/dbraw/zinc/39/11/97/970391197.db2.gz JIHLIKAKORKELJ-UHFFFAOYSA-N -2 3 360.273 1.113 20 0 FDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCCCC1 ZINC001605973768 972986849 /nfs/dbraw/zinc/98/68/49/972986849.db2.gz DREYFJVDGLGESH-STQMWFEESA-N -2 3 366.380 1.932 20 0 FDADHL O=C([O-])CCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001606147447 973405096 /nfs/dbraw/zinc/40/50/96/973405096.db2.gz AMAXALZHDMBESS-UHFFFAOYSA-N -2 3 367.368 1.732 20 0 FDADHL CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)[C@H](C)C(=O)[O-] ZINC001603715080 974131519 /nfs/dbraw/zinc/13/15/19/974131519.db2.gz BCMXXDGXUKBNIQ-SNVBAGLBSA-N -2 3 373.431 1.784 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000647262317 975358679 /nfs/dbraw/zinc/35/86/79/975358679.db2.gz SQSRKFJBVSEAJH-SFYZADRCSA-N -2 3 366.848 1.049 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1F ZINC001591667002 975419822 /nfs/dbraw/zinc/41/98/22/975419822.db2.gz XBAFKNHXTQQZNJ-CMPLNLGQSA-N -2 3 372.418 1.448 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1 ZINC000794916106 975559826 /nfs/dbraw/zinc/55/98/26/975559826.db2.gz OMNPLXRBRGQYLN-GFCCVEGCSA-N -2 3 359.375 1.534 20 0 FDADHL C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001592220692 977396330 /nfs/dbraw/zinc/39/63/30/977396330.db2.gz ZSOZEIWFVANCHU-KVFVURRZSA-N -2 3 352.181 1.896 20 0 FDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776617829 978760357 /nfs/dbraw/zinc/76/03/57/978760357.db2.gz ZWYGUZQALSOHOO-BXKDBHETSA-N -2 3 361.391 1.780 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c1 ZINC000794761292 978820218 /nfs/dbraw/zinc/82/02/18/978820218.db2.gz MQXDYGNZXFSWDK-UHFFFAOYSA-N -2 3 371.342 1.772 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c(=O)[n-]1 ZINC000851197662 978832309 /nfs/dbraw/zinc/83/23/09/978832309.db2.gz NCFRTNXJPQCHHM-UHFFFAOYSA-N -2 3 367.402 1.169 20 0 FDADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000832374291 979044974 /nfs/dbraw/zinc/04/49/74/979044974.db2.gz LUECJDASPDEFHB-ZDUSSCGKSA-N -2 3 368.798 1.543 20 0 FDADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837290060 979272771 /nfs/dbraw/zinc/27/27/71/979272771.db2.gz MYFCMDCDTDHOIL-SNVBAGLBSA-N -2 3 373.818 1.294 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1ncc(C(=O)[O-])s1 ZINC000843295036 979335633 /nfs/dbraw/zinc/33/56/33/979335633.db2.gz RJNFVYMJDHQQDK-YFKPBYRVSA-N -2 3 350.809 1.268 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001595170273 979734455 /nfs/dbraw/zinc/73/44/55/979734455.db2.gz VGEUFBLLRGGEAG-ZETCQYMHSA-N -3 3 367.782 1.957 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cccc(OC)c1OC ZINC001595311207 980470851 /nfs/dbraw/zinc/47/08/51/980470851.db2.gz QWQZFBXUEKHFLA-JTQLQIEISA-N -2 3 370.383 1.820 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1 ZINC000826279109 980754972 /nfs/dbraw/zinc/75/49/72/980754972.db2.gz FWNQOOMWXHBCQW-NSHDSACASA-N -2 3 367.456 1.266 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1 ZINC000826279109 980754977 /nfs/dbraw/zinc/75/49/77/980754977.db2.gz FWNQOOMWXHBCQW-NSHDSACASA-N -2 3 367.456 1.266 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1 ZINC000826279108 980755320 /nfs/dbraw/zinc/75/53/20/980755320.db2.gz FWNQOOMWXHBCQW-LLVKDONJSA-N -2 3 367.456 1.266 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1 ZINC000826279108 980755323 /nfs/dbraw/zinc/75/53/23/980755323.db2.gz FWNQOOMWXHBCQW-LLVKDONJSA-N -2 3 367.456 1.266 20 0 FDADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC000903035516 980955088 /nfs/dbraw/zinc/95/50/88/980955088.db2.gz QQFOLBYYHHVOOB-QMMMGPOBSA-N -2 3 370.196 1.549 20 0 FDADHL CCC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001595547843 981423801 /nfs/dbraw/zinc/42/38/01/981423801.db2.gz YCBIQVMQSDQEFA-GFCCVEGCSA-N -2 3 368.864 1.439 20 0 FDADHL 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FDADHL CC[C@H](CC[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000297355852 184261435 /nfs/dbraw/zinc/26/14/35/184261435.db2.gz ZOGLQTMRGNCCIU-MRVPVSSYSA-N -2 3 351.222 1.623 20 0 FDADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000298131018 184398647 /nfs/dbraw/zinc/39/86/47/184398647.db2.gz YYWWECIWOLUBJE-UHFFFAOYSA-N -2 3 365.367 1.036 20 0 FDADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000298131018 184398649 /nfs/dbraw/zinc/39/86/49/184398649.db2.gz YYWWECIWOLUBJE-UHFFFAOYSA-N -2 3 365.367 1.036 20 0 FDADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(=O)[O-] ZINC000547547527 542369741 /nfs/dbraw/zinc/36/97/41/542369741.db2.gz IVARXLVUEOUADY-JTQLQIEISA-N -2 3 369.399 1.882 20 0 FDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547582401 542383012 /nfs/dbraw/zinc/38/30/12/542383012.db2.gz ZZTUXEUMEQCGOH-KGFZYKRKSA-N -2 3 362.791 1.552 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@@H](CCCc2ccccc2)C(=O)[O-])nc1C ZINC000547565923 542376917 /nfs/dbraw/zinc/37/69/17/542376917.db2.gz QPCZLDRFLIXUGJ-HNNXBMFYSA-N -2 3 365.455 1.966 20 0 FDADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cn1 ZINC000547566801 542377022 /nfs/dbraw/zinc/37/70/22/542377022.db2.gz YRZRUPFNQSELCT-SNVBAGLBSA-N -2 3 361.782 1.187 20 0 FDADHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c(Cl)c1 ZINC000547569303 542378195 /nfs/dbraw/zinc/37/81/95/542378195.db2.gz NLCGGKRDSIXIMB-LBPRGKRZSA-N -2 3 354.771 1.779 20 0 FDADHL O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000547577369 542381024 /nfs/dbraw/zinc/38/10/24/542381024.db2.gz RKKGIJBWVMAIDB-LBPRGKRZSA-N -2 3 368.342 1.708 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C(=O)[O-])n1 ZINC000547553184 542371947 /nfs/dbraw/zinc/37/19/47/542371947.db2.gz PWGRQSPYQPXSOD-CYBMUJFWSA-N -2 3 355.391 1.379 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccn1 ZINC000547555484 542372846 /nfs/dbraw/zinc/37/28/46/542372846.db2.gz RSBZCPHXFZDLJC-SECBINFHSA-N -2 3 374.340 1.721 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547880815 542474458 /nfs/dbraw/zinc/47/44/58/542474458.db2.gz CFSPYDLGMPFFTB-PSASIEDQSA-N -2 3 368.333 1.259 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547880816 542474777 /nfs/dbraw/zinc/47/47/77/542474777.db2.gz CFSPYDLGMPFFTB-SCZZXKLOSA-N -2 3 368.333 1.259 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000547882368 542475412 /nfs/dbraw/zinc/47/54/12/542475412.db2.gz XMQUSEPFHQOTKV-XYPYZODXSA-N -2 3 373.402 1.782 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000547887995 542478117 /nfs/dbraw/zinc/47/81/17/542478117.db2.gz BRNRXKCWRVIKMS-SECBINFHSA-N -2 3 363.819 1.906 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])nc1C ZINC000547899340 542481453 /nfs/dbraw/zinc/48/14/53/542481453.db2.gz RFOALYNPFOMMKP-JTQLQIEISA-N -2 3 371.440 1.277 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000548197853 542581265 /nfs/dbraw/zinc/58/12/65/542581265.db2.gz SPYLVSGPFTUKSH-ZWNOBZJWSA-N -2 3 359.375 1.997 20 0 FDADHL COc1cc(C[C@@H]([N-]S(=O)(=O)c2cccs2)C(=O)[O-])cc(OC)c1 ZINC000548201882 542583502 /nfs/dbraw/zinc/58/35/02/542583502.db2.gz XQSSNACGFLRBCG-CYBMUJFWSA-N -2 3 371.436 1.740 20 0 FDADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000548225306 542592191 /nfs/dbraw/zinc/59/21/91/542592191.db2.gz BPPKTGFJHFNZNZ-UHFFFAOYSA-N -2 3 356.381 1.091 20 0 FDADHL C[C@H](CCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548213280 542588165 /nfs/dbraw/zinc/58/81/65/542588165.db2.gz QTOBAEJTQWKZHX-SSDOTTSWSA-N -2 3 362.791 1.554 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)cnc2N)ccc1C(=O)[O-] ZINC000548220326 542590190 /nfs/dbraw/zinc/59/01/90/542590190.db2.gz APINFUDONMAQPI-UHFFFAOYSA-N -2 3 356.791 1.197 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000548263911 542604781 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20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548524563 542689957 /nfs/dbraw/zinc/68/99/57/542689957.db2.gz MDTIJWICAGFMJH-UHFFFAOYSA-N -3 3 351.336 1.892 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])s1 ZINC000548552292 542700884 /nfs/dbraw/zinc/70/08/84/542700884.db2.gz ZAFBOQNAMDFHFF-UHFFFAOYSA-N -2 3 363.457 1.633 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCC1 ZINC000548554392 542701353 /nfs/dbraw/zinc/70/13/53/542701353.db2.gz NEBBXMUHUGDVNI-UHFFFAOYSA-N -2 3 363.233 1.767 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)c(F)cc1F ZINC000548590365 542712609 /nfs/dbraw/zinc/71/26/09/542712609.db2.gz KZUIXPLFCODEQH-CYBMUJFWSA-N -2 3 363.382 1.821 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)c1 ZINC000548770177 542775239 /nfs/dbraw/zinc/77/52/39/542775239.db2.gz QZAMYWIHQOOYTM-QLJPJBMISA-N -2 3 373.402 1.924 20 0 FDADHL CO[C@@H](C)c1nc(=NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s[n-]1 ZINC000555318758 543941910 /nfs/dbraw/zinc/94/19/10/543941910.db2.gz KHWSBHYDMRZUGI-ZETCQYMHSA-N -2 3 374.419 1.430 20 0 FDADHL CO[C@H](C)c1nc(=NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)s[n-]1 ZINC000555322515 543942031 /nfs/dbraw/zinc/94/20/31/543942031.db2.gz QPWVAZBPKZPDHJ-MRVPVSSYSA-N -2 3 356.429 1.291 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000557083474 544242042 /nfs/dbraw/zinc/24/20/42/544242042.db2.gz MJZMHGUPCFEOHL-RKDXNWHRSA-N -2 3 369.365 1.712 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000558862096 544543040 /nfs/dbraw/zinc/54/30/40/544543040.db2.gz FCAQLLPTAWCULR-CQSZACIVSA-N -2 3 351.428 1.686 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000560076846 544883129 /nfs/dbraw/zinc/88/31/29/544883129.db2.gz FBHMLABRQXTGHQ-HNNXBMFYSA-N -2 3 359.407 1.548 20 0 FDADHL CC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCOCC1 ZINC000331281353 259185146 /nfs/dbraw/zinc/18/51/46/259185146.db2.gz ISFPUVROPYJQTE-UHFFFAOYSA-N -2 3 366.436 1.045 20 0 FDADHL CCC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000332100630 259241483 /nfs/dbraw/zinc/24/14/83/259241483.db2.gz BBWFZNCZZTUDTI-UHFFFAOYSA-N -2 3 350.437 1.666 20 0 FDADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000368171799 260144024 /nfs/dbraw/zinc/14/40/24/260144024.db2.gz VFASMDPXYYEGRA-UHFFFAOYSA-N -3 3 359.367 1.295 20 0 FDADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000368171799 260144025 /nfs/dbraw/zinc/14/40/25/260144025.db2.gz VFASMDPXYYEGRA-UHFFFAOYSA-N -3 3 359.367 1.295 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000368801171 260239284 /nfs/dbraw/zinc/23/92/84/260239284.db2.gz WPHAQOURWHSTDG-BXUZGUMPSA-N -2 3 357.403 1.907 20 0 FDADHL C[C@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)C1(C)C ZINC000408505728 262118715 /nfs/dbraw/zinc/11/87/15/262118715.db2.gz XVOYIGCKDWAAAZ-GXSJLCMTSA-N -2 3 364.427 1.404 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)o1 ZINC000484972777 490484678 /nfs/dbraw/zinc/48/46/78/490484678.db2.gz MQPRDQGDJOHXQB-UHFFFAOYSA-N -2 3 370.334 1.396 20 0 FDADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000023990325 518971517 /nfs/dbraw/zinc/97/15/17/518971517.db2.gz QMNGQGWEWVFQIA-UHFFFAOYSA-N -2 3 370.333 1.580 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Br)s1 ZINC000037465717 519630696 /nfs/dbraw/zinc/63/06/96/519630696.db2.gz GDPSTXSNPHKTST-LURJTMIESA-N -2 3 370.246 1.666 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000057504318 522102860 /nfs/dbraw/zinc/10/28/60/522102860.db2.gz WMRSTMZANIXHQP-OAHLLOKOSA-N -2 3 364.383 1.147 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)ccc1[O-] ZINC000055583552 523829453 /nfs/dbraw/zinc/82/94/53/523829453.db2.gz FDJVRQMUFIZZMR-UHFFFAOYSA-N -2 3 374.378 1.560 20 0 FDADHL Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000173919438 524485769 /nfs/dbraw/zinc/48/57/69/524485769.db2.gz 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362.411 2.257 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(CN=c2[n-]nc(-c3ccccn3)s2)s1 ZINC000581746928 551131031 /nfs/dbraw/zinc/13/10/31/551131031.db2.gz MXLYQMKEVTZJFL-UHFFFAOYSA-N -2 3 367.481 2.182 20 0 FDADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000582206217 551190811 /nfs/dbraw/zinc/19/08/11/551190811.db2.gz UBRAIBKOGIKFIQ-UHFFFAOYSA-N -2 3 355.329 1.411 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cnc2c1Cl ZINC000582236677 551194777 /nfs/dbraw/zinc/19/47/77/551194777.db2.gz ICYAZYQGBRKBBH-GZMMTYOYSA-N -2 3 374.850 1.715 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCCOCC2CCOCC2)cc1C(=O)[O-] ZINC000582485057 551230828 /nfs/dbraw/zinc/23/08/28/551230828.db2.gz WPWVKEPXYKRERT-UHFFFAOYSA-N -2 3 361.416 1.398 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000582524052 551236014 /nfs/dbraw/zinc/23/60/14/551236014.db2.gz XFOOTIYYVKWWRO-LBPRGKRZSA-N -2 3 367.379 1.521 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(=O)[O-])cc2)cn1C ZINC000583201771 551318231 /nfs/dbraw/zinc/31/82/31/551318231.db2.gz AHLNKFFDDNSXKS-JTQLQIEISA-N -2 3 353.400 1.231 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c(F)c1 ZINC000583356525 551339138 /nfs/dbraw/zinc/33/91/38/551339138.db2.gz IWYGKTVBLSPXGH-LLVKDONJSA-N -2 3 368.386 1.451 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cn21 ZINC000583920408 551421035 /nfs/dbraw/zinc/42/10/35/551421035.db2.gz IEWKTUOWVDMNTD-SFYZADRCSA-N -2 3 355.338 1.464 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1F ZINC000583930276 551422297 /nfs/dbraw/zinc/42/22/97/551422297.db2.gz XEPFSBOZRSDFGY-RNCFNFMXSA-N -2 3 361.391 1.636 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c3ccccc3)cn21 ZINC000583983378 551430235 /nfs/dbraw/zinc/43/02/35/551430235.db2.gz LFZWYRZPCOBDOH-TZMCWYRMSA-N -2 3 363.439 1.927 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c[n-]1 ZINC000592384843 551987041 /nfs/dbraw/zinc/98/70/41/551987041.db2.gz BWAAWPFTCRIZML-UHFFFAOYSA-N -2 3 364.305 1.801 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)[n-]1 ZINC000592384843 551987042 /nfs/dbraw/zinc/98/70/42/551987042.db2.gz BWAAWPFTCRIZML-UHFFFAOYSA-N -2 3 364.305 1.801 20 0 FDADHL COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592426991 551993844 /nfs/dbraw/zinc/99/38/44/551993844.db2.gz WPPJSHIUBWNOMK-UHFFFAOYSA-N -2 3 368.411 1.495 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21 ZINC000592429679 551994131 /nfs/dbraw/zinc/99/41/31/551994131.db2.gz RIXDUWNHIKDMCT-UHFFFAOYSA-N -2 3 360.347 1.142 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c(Cl)c1 ZINC000593274190 552080536 /nfs/dbraw/zinc/08/05/36/552080536.db2.gz QNLWNSKRFJLQCS-QMMMGPOBSA-N -2 3 361.803 1.658 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c(F)c1 ZINC000596027580 552646392 /nfs/dbraw/zinc/64/63/92/552646392.db2.gz RYNLXXRACQKHNK-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000600658358 553293370 /nfs/dbraw/zinc/29/33/70/553293370.db2.gz PSHBTNRWVDIBDU-WCQYABFASA-N -2 3 373.402 1.924 20 0 FDADHL COCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000606342554 554057640 /nfs/dbraw/zinc/05/76/40/554057640.db2.gz XQCWXINUNOGTAT-UHFFFAOYSA-N -2 3 370.452 1.876 20 0 FDADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1c([O-])cccc1F ZINC000608366886 554262138 /nfs/dbraw/zinc/26/21/38/554262138.db2.gz AWFSJIROGJFTIL-UHFFFAOYSA-N -2 3 358.123 1.195 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000614343640 555040579 /nfs/dbraw/zinc/04/05/79/555040579.db2.gz ZECHWGIQZRWKOS-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614817456 555120376 /nfs/dbraw/zinc/12/03/76/555120376.db2.gz LXACRIFGHUUNIT-GHMZBOCLSA-N -2 3 361.373 1.954 20 0 FDADHL Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)c([O-])c1 ZINC000628215775 557608196 /nfs/dbraw/zinc/60/81/96/557608196.db2.gz STMBBMNTGLCLIE-CYBMUJFWSA-N -2 3 370.409 1.539 20 0 FDADHL Cc1c(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])coc1C(=O)N(C)C ZINC000629312724 557760545 /nfs/dbraw/zinc/76/05/45/557760545.db2.gz GGZFJOGKYRBQMI-NWDGAFQWSA-N -2 3 372.443 1.602 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000629332301 557766572 /nfs/dbraw/zinc/76/65/72/557766572.db2.gz DLHCAUSTFSPGFR-ZDUSSCGKSA-N -2 3 353.421 1.866 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC000629338930 557768616 /nfs/dbraw/zinc/76/86/16/557768616.db2.gz BZCXSESNHOJPFK-CHWSQXEVSA-N -2 3 359.448 1.087 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@H]2CCC[C@H]21 ZINC000630277859 557894587 /nfs/dbraw/zinc/89/45/87/557894587.db2.gz GIGZLXWDDCGIRW-TUAOUCFPSA-N -2 3 372.468 1.128 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630421296 557907791 /nfs/dbraw/zinc/90/77/91/557907791.db2.gz DEFVCQNGIRNDKZ-GXSJLCMTSA-N -2 3 371.308 1.755 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000630425020 557908541 /nfs/dbraw/zinc/90/85/41/557908541.db2.gz ZAFHNWRHANMBFY-QWRGUYRKSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000630425030 557908564 /nfs/dbraw/zinc/90/85/64/557908564.db2.gz ZJBKWWXACZMYCS-GHMZBOCLSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCOC1 ZINC000630433100 557909069 /nfs/dbraw/zinc/90/90/69/557909069.db2.gz PWGMMNKDJYSHSI-LLVKDONJSA-N -2 3 373.374 1.927 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnn[n-]3)c2)cc1 ZINC000631644380 558023182 /nfs/dbraw/zinc/02/31/82/558023182.db2.gz FYBUIWCUZPVTCM-UHFFFAOYSA-N -2 3 374.382 1.261 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nn[n-]n3)c2)cc1 ZINC000631644380 558023183 /nfs/dbraw/zinc/02/31/83/558023183.db2.gz FYBUIWCUZPVTCM-UHFFFAOYSA-N -2 3 374.382 1.261 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC000365435247 568666720 /nfs/dbraw/zinc/66/67/20/568666720.db2.gz CTCRQISDRKXWQV-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC000365435247 568666723 /nfs/dbraw/zinc/66/67/23/568666723.db2.gz CTCRQISDRKXWQV-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL COc1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737155930 598890956 /nfs/dbraw/zinc/89/09/56/598890956.db2.gz OLCJRZAICDGOHH-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737386264 598909695 /nfs/dbraw/zinc/90/96/95/598909695.db2.gz XMYRJXFSKGCELS-LBPRGKRZSA-N -2 3 371.422 1.784 20 0 FDADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737386264 598909697 /nfs/dbraw/zinc/90/96/97/598909697.db2.gz XMYRJXFSKGCELS-LBPRGKRZSA-N -2 3 371.422 1.784 20 0 FDADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342777 598910387 /nfs/dbraw/zinc/91/03/87/598910387.db2.gz PYBZDEHHHKCTOK-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342777 598910389 /nfs/dbraw/zinc/91/03/89/598910389.db2.gz PYBZDEHHHKCTOK-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737223717 598947423 /nfs/dbraw/zinc/94/74/23/598947423.db2.gz CTGJTMIUKVOUTF-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737223717 598947424 /nfs/dbraw/zinc/94/74/24/598947424.db2.gz CTGJTMIUKVOUTF-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822184034 607256041 /nfs/dbraw/zinc/25/60/41/607256041.db2.gz NQLVRBRWACODIV-UHFFFAOYSA-N -2 3 373.394 1.983 20 0 FDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737121036 598976020 /nfs/dbraw/zinc/97/60/20/598976020.db2.gz LDGZHPOMNWZVJU-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737121036 598976021 /nfs/dbraw/zinc/97/60/21/598976021.db2.gz LDGZHPOMNWZVJU-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)cc1 ZINC000737299045 598975210 /nfs/dbraw/zinc/97/52/10/598975210.db2.gz PBKPCOSPIXRVRQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)cc1 ZINC000737299045 598975212 /nfs/dbraw/zinc/97/52/12/598975212.db2.gz PBKPCOSPIXRVRQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1C ZINC000819811005 599230125 /nfs/dbraw/zinc/23/01/25/599230125.db2.gz TUZIXROIQNKWCG-UHFFFAOYSA-N -2 3 373.398 1.329 20 0 FDADHL O=S(=O)([N-]c1ccnn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589185 599235235 /nfs/dbraw/zinc/23/52/35/599235235.db2.gz ROSAYQNFRDZNNB-UHFFFAOYSA-N -2 3 367.394 1.853 20 0 FDADHL O=S(=O)([N-]c1ccnn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589185 599235237 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O=C([O-])N1CCC2(C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000834049562 605923356 /nfs/dbraw/zinc/92/33/56/605923356.db2.gz OEFXOMMIXATAMG-CYBMUJFWSA-N -2 3 356.386 1.263 20 0 FDADHL O=C([O-])N1CCC(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000833992056 606074390 /nfs/dbraw/zinc/07/43/90/606074390.db2.gz TXKCISYFDMHPML-UHFFFAOYSA-N -2 3 363.414 1.408 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822194250 606178933 /nfs/dbraw/zinc/17/89/33/606178933.db2.gz PEKCPHAMVLZBGF-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822194250 606178934 /nfs/dbraw/zinc/17/89/34/606178934.db2.gz PEKCPHAMVLZBGF-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822496336 606210882 /nfs/dbraw/zinc/21/08/82/606210882.db2.gz JQPZUPSZUKCXRO-UHFFFAOYSA-N -2 3 369.794 1.068 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1C1CC1 ZINC000823285219 606409781 /nfs/dbraw/zinc/40/97/81/606409781.db2.gz OIIXLWWEPUWUIA-QWRGUYRKSA-N -2 3 367.818 1.371 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1C1CC1 ZINC000823285219 606409783 /nfs/dbraw/zinc/40/97/83/606409783.db2.gz OIIXLWWEPUWUIA-QWRGUYRKSA-N -2 3 367.818 1.371 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821548527 606469011 /nfs/dbraw/zinc/46/90/11/606469011.db2.gz NEMFEMPLABQCKM-UHFFFAOYSA-N -2 3 355.380 1.221 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821548527 606469012 /nfs/dbraw/zinc/46/90/12/606469012.db2.gz NEMFEMPLABQCKM-UHFFFAOYSA-N -2 3 355.380 1.221 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000822224115 606469048 /nfs/dbraw/zinc/46/90/48/606469048.db2.gz WQQPXSNODSXHQR-UHFFFAOYSA-N -2 3 365.444 1.951 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000822224115 606469049 /nfs/dbraw/zinc/46/90/49/606469049.db2.gz WQQPXSNODSXHQR-UHFFFAOYSA-N -2 3 365.444 1.951 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)oc1C ZINC000822453174 606642978 /nfs/dbraw/zinc/64/29/78/606642978.db2.gz DLYQEUIAAHUJHY-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)oc1C ZINC000822453174 606642979 /nfs/dbraw/zinc/64/29/79/606642979.db2.gz DLYQEUIAAHUJHY-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000822623511 606710229 /nfs/dbraw/zinc/71/02/29/606710229.db2.gz YIPHJDKOPXQZJT-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588788 606861936 /nfs/dbraw/zinc/86/19/36/606861936.db2.gz BMSGNYLUGYLSLR-UHFFFAOYSA-N -2 3 371.357 1.750 20 0 FDADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588788 606861937 /nfs/dbraw/zinc/86/19/37/606861937.db2.gz BMSGNYLUGYLSLR-UHFFFAOYSA-N -2 3 371.357 1.750 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683395 607094842 /nfs/dbraw/zinc/09/48/42/607094842.db2.gz AQXJTRWAJNRPSE-WCQYABFASA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683395 607094844 /nfs/dbraw/zinc/09/48/44/607094844.db2.gz AQXJTRWAJNRPSE-WCQYABFASA-N -2 3 363.443 1.639 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n[nH]c1C1CC1 ZINC000822224073 607152700 /nfs/dbraw/zinc/15/27/00/607152700.db2.gz VPVFHSBBTYZJMY-UHFFFAOYSA-N -2 3 359.415 1.885 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)oc1C ZINC000822223773 607158562 /nfs/dbraw/zinc/15/85/62/607158562.db2.gz JUZKIPIFYDCWFV-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)oc1C ZINC000822223773 607158564 /nfs/dbraw/zinc/15/85/64/607158564.db2.gz JUZKIPIFYDCWFV-UHFFFAOYSA-N -2 3 361.383 1.504 20 0 FDADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825242192 607806400 /nfs/dbraw/zinc/80/64/00/607806400.db2.gz KNQLBSWQMFTSJH-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825242192 607806401 /nfs/dbraw/zinc/80/64/01/607806401.db2.gz KNQLBSWQMFTSJH-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL Cc1cccc(S(=O)(=O)NCCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC000826303648 608010763 /nfs/dbraw/zinc/01/07/63/608010763.db2.gz YIUGVFQNAAOROI-UHFFFAOYSA-N -2 3 353.404 1.098 20 0 FDADHL Cc1cccc(S(=O)(=O)NCCCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC000826303648 608010764 /nfs/dbraw/zinc/01/07/64/608010764.db2.gz YIUGVFQNAAOROI-UHFFFAOYSA-N -2 3 353.404 1.098 20 0 FDADHL O=S(=O)([N-]C12CCC(CC1)C2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488087 608124888 /nfs/dbraw/zinc/12/48/88/608124888.db2.gz HYKQEMGEQHJEEE-UHFFFAOYSA-N -2 3 355.370 1.756 20 0 FDADHL COCc1nsc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826165688 608128545 /nfs/dbraw/zinc/12/85/45/608128545.db2.gz FSORARULYIZTRI-UHFFFAOYSA-N -2 3 353.314 1.395 20 0 FDADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1sccc1-c1nnn[n-]1 ZINC000826449727 608319041 /nfs/dbraw/zinc/31/90/41/608319041.db2.gz HHROHKVUMILYMG-UHFFFAOYSA-N -2 3 369.350 1.330 20 0 FDADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826449727 608319042 /nfs/dbraw/zinc/31/90/42/608319042.db2.gz HHROHKVUMILYMG-UHFFFAOYSA-N -2 3 369.350 1.330 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825067531 608473358 /nfs/dbraw/zinc/47/33/58/608473358.db2.gz LHYKBHWQFNSAEI-JTQLQIEISA-N -2 3 353.404 1.049 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825067531 608473360 /nfs/dbraw/zinc/47/33/60/608473360.db2.gz LHYKBHWQFNSAEI-JTQLQIEISA-N -2 3 353.404 1.049 20 0 FDADHL Cn1cc(C=Cc2cc(C(=O)[O-])ncn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359457 609309686 /nfs/dbraw/zinc/30/96/86/609309686.db2.gz HXOLIJNGERNUER-SREVYHEPSA-N -2 3 374.364 1.926 20 0 FDADHL Cn1cc(C=Cc2cc(C(=O)[O-])ncn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359457 609309688 /nfs/dbraw/zinc/30/96/88/609309688.db2.gz HXOLIJNGERNUER-SREVYHEPSA-N -2 3 374.364 1.926 20 0 FDADHL O=S(=O)([N-]c1ncccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493633 609342108 /nfs/dbraw/zinc/34/21/08/609342108.db2.gz VFCFIAZANPKJBB-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ncccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493633 609342110 /nfs/dbraw/zinc/34/21/10/609342110.db2.gz VFCFIAZANPKJBB-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000278131087 675097837 /nfs/dbraw/zinc/09/78/37/675097837.db2.gz MMQUHQOHHYQTJS-JTQLQIEISA-N -2 3 367.782 1.554 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1-n1cnnn1 ZINC000028261010 670789323 /nfs/dbraw/zinc/78/93/23/670789323.db2.gz PRNBCIANNGMPPE-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000032630002 670868528 /nfs/dbraw/zinc/86/85/28/670868528.db2.gz QVUOSCHLUSSWAK-UHFFFAOYSA-N -2 3 364.379 1.607 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000048635788 671080448 /nfs/dbraw/zinc/08/04/48/671080448.db2.gz YYLUBJDMHGDUIF-UHFFFAOYSA-N -2 3 357.338 1.553 20 0 FDADHL O=C(NN/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000055010602 671225807 /nfs/dbraw/zinc/22/58/07/671225807.db2.gz TZIFIGYEXZZMAK-JYRVWZFOSA-N -2 3 357.753 1.591 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])s1 ZINC000285212800 675804358 /nfs/dbraw/zinc/80/43/58/675804358.db2.gz RVMHLCFMFVEJMR-QMMMGPOBSA-N -2 3 365.429 1.081 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)[N-]OCC1CC1 ZINC000293856565 676368322 /nfs/dbraw/zinc/36/83/22/676368322.db2.gz VMWVYAVABNDOOZ-UHFFFAOYSA-N -2 3 369.262 1.247 20 0 FDADHL Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C2 ZINC000364107149 676992363 /nfs/dbraw/zinc/99/23/63/676992363.db2.gz XQGHIVPBTBFWGL-SECBINFHSA-N -2 3 371.365 1.461 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)c1 ZINC000377310468 678514767 /nfs/dbraw/zinc/51/47/67/678514767.db2.gz VSQCNGMWXNQJDX-GFCCVEGCSA-N -3 3 365.363 1.707 20 0 FDADHL CCC(CC)(CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000424246314 680834379 /nfs/dbraw/zinc/83/43/79/680834379.db2.gz LHKYAEWZKMGDHC-UHFFFAOYSA-N -2 3 350.415 1.828 20 0 FDADHL Cn1cc(Br)cc([N-]S(=O)(=O)c2cnc([O-])s2)c1=O ZINC000436474318 681695986 /nfs/dbraw/zinc/69/59/86/681695986.db2.gz CCKPTAUHSFAAKE-UHFFFAOYSA-N -2 3 366.218 1.111 20 0 FDADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc12 ZINC000427297328 680971827 /nfs/dbraw/zinc/97/18/27/680971827.db2.gz YVNQBYAFROXRHI-UHFFFAOYSA-N -2 3 364.358 1.915 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000436477417 681696826 /nfs/dbraw/zinc/69/68/26/681696826.db2.gz LQTJCRURBVBMPO-UHFFFAOYSA-N -2 3 363.351 1.824 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436615735 681710072 /nfs/dbraw/zinc/71/00/72/681710072.db2.gz FPRZCVTXLOMDGA-UHFFFAOYSA-N -2 3 352.368 1.267 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c[nH]1 ZINC000439244112 681917028 /nfs/dbraw/zinc/91/70/28/681917028.db2.gz GJEVNZAETMUKFC-UHFFFAOYSA-N -2 3 351.319 1.438 20 0 FDADHL Cc1ncc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC000443452916 682301697 /nfs/dbraw/zinc/30/16/97/682301697.db2.gz JLYACQHNCWDGPZ-UHFFFAOYSA-N -2 3 365.433 1.763 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCC1 ZINC000515613599 689877500 /nfs/dbraw/zinc/87/75/00/689877500.db2.gz RJFPAXKKCPCUBH-UHFFFAOYSA-N -2 3 358.347 1.184 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000518884441 690167223 /nfs/dbraw/zinc/16/72/23/690167223.db2.gz RIQJUAJBERNTNB-HSZRJFAPSA-N -2 3 369.420 1.937 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000784896882 768828293 /nfs/dbraw/zinc/82/82/93/768828293.db2.gz ADBUDQAOEAMDEW-QMMMGPOBSA-N -2 3 364.420 1.048 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)cnc2n1 ZINC000510280255 772048633 /nfs/dbraw/zinc/04/86/33/772048633.db2.gz GDRSYKRVAUDWFT-SNVBAGLBSA-N -2 3 354.370 1.487 20 0 FDADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](c3n[nH]c(=O)[n-]3)C1)c2=O ZINC000510280255 772048637 /nfs/dbraw/zinc/04/86/37/772048637.db2.gz GDRSYKRVAUDWFT-SNVBAGLBSA-N -2 3 354.370 1.487 20 0 FDADHL CCc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cn1CC1CC1 ZINC000663290876 806342115 /nfs/dbraw/zinc/34/21/15/806342115.db2.gz KDOLNUZAWLJSKT-JTQLQIEISA-N -2 3 365.402 1.490 20 0 FDADHL COc1ccccc1OCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418834 806982428 /nfs/dbraw/zinc/98/24/28/806982428.db2.gz BNNBVMPUALOMIN-UHFFFAOYSA-N -2 3 355.368 1.652 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCCCCC(=O)[O-] ZINC000760104482 826759485 /nfs/dbraw/zinc/75/94/85/826759485.db2.gz NYZTWUGOYLSVTP-UHFFFAOYSA-N -2 3 361.391 1.926 20 0 FDADHL CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1C ZINC000906875554 853425825 /nfs/dbraw/zinc/42/58/25/853425825.db2.gz QUVUPVYZMLXQSX-DGCLKSJQSA-N -2 3 356.444 1.584 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(F)(F)F ZINC000906866875 853467494 /nfs/dbraw/zinc/46/74/94/853467494.db2.gz DLJRHPDBLHDPPN-VIFPVBQESA-N -2 3 359.297 1.688 20 0 FDADHL C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906919645 853557467 /nfs/dbraw/zinc/55/74/67/853557467.db2.gz JVJCQHCKOHVISI-LLVKDONJSA-N -2 3 356.444 1.441 20 0 FDADHL C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906995408 853654236 /nfs/dbraw/zinc/65/42/36/853654236.db2.gz KFHXWBUWXGAUNL-GFCCVEGCSA-N -2 3 368.455 1.585 20 0 FDADHL O=C(c1cc([O-])cc(Br)c1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473776 854217951 /nfs/dbraw/zinc/21/79/51/854217951.db2.gz SKPCBMILARJCFK-JTQLQIEISA-N -2 3 370.232 1.598 20 0 FDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000910169579 856926901 /nfs/dbraw/zinc/92/69/01/856926901.db2.gz DYZGBJWJJYTGIG-JTQLQIEISA-N -2 3 371.231 1.776 20 0 FDADHL O=C([O-])CS[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000910350536 857126355 /nfs/dbraw/zinc/12/63/55/857126355.db2.gz YRSQTRMMWNLAID-JTQLQIEISA-N -2 3 355.309 1.939 20 0 FDADHL CC12CN(C(=O)c3ncccc3[O-])CC1CN(C(=O)c1ncccc1[O-])C2 ZINC000992818630 872531082 /nfs/dbraw/zinc/53/10/82/872531082.db2.gz GYZNSPHFNIJBQP-UHFFFAOYSA-N -2 3 368.393 1.122 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1(C(=O)[O-])CCOCC1 ZINC000903536826 896675168 /nfs/dbraw/zinc/67/51/68/896675168.db2.gz JNNFJOHBDIKLHI-MRVPVSSYSA-N -2 3 353.849 1.950 20 0 FDADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000788139838 932571223 /nfs/dbraw/zinc/57/12/23/932571223.db2.gz PWKVFHCJJGQCOD-JTQLQIEISA-N -2 3 350.396 1.756 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c(C)c1Cl ZINC000788443543 932699960 /nfs/dbraw/zinc/69/99/60/932699960.db2.gz XXKHLZMQDJWEPI-ZCFIWIBFSA-N -2 3 369.848 1.886 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CCOCC3)CC2)c(F)cc1F ZINC001195247520 970790933 /nfs/dbraw/zinc/79/09/33/970790933.db2.gz SGNHKTDCMWUABN-UHFFFAOYSA-N -2 3 361.366 1.901 20 0 FDADHL CN(CCCCCCNC(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-] ZINC000856015751 970850005 /nfs/dbraw/zinc/85/00/05/970850005.db2.gz LOFRDPMQQVOIGL-UHFFFAOYSA-N -2 3 372.425 1.950 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC001600809801 970870133 /nfs/dbraw/zinc/87/01/33/970870133.db2.gz NXGBOQJHTSIGNL-UHFFFAOYSA-N -2 3 368.367 1.011 20 0 FDADHL CC(C)(C)OC(=O)Nc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c([O-])c1 ZINC000816733786 942314818 /nfs/dbraw/zinc/31/48/18/942314818.db2.gz LWTAGOANZZZKAR-UHFFFAOYSA-N -2 3 351.319 1.126 20 0 FDADHL COC([O-])=NC(=S)N(C(=O)c1nc(C)ccc1[O-])c1ccccc1N ZINC001195331528 970898252 /nfs/dbraw/zinc/89/82/52/970898252.db2.gz YECLJWATMIRVTC-UHFFFAOYSA-N -2 3 360.395 1.966 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Br)cn1 ZINC001195695783 971164446 /nfs/dbraw/zinc/16/44/46/971164446.db2.gz ZBRHBGMQZUQPAY-UHFFFAOYSA-N -2 3 360.189 1.754 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)cn1C ZINC000822453255 946095973 /nfs/dbraw/zinc/09/59/73/946095973.db2.gz GGMLEXHUHJDOJY-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CCC1CCC(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)(C(=O)[O-])CC1 ZINC000825192784 947113063 /nfs/dbraw/zinc/11/30/63/947113063.db2.gz ISSMDXZPSYQCIT-UHFFFAOYSA-N -2 3 373.413 1.785 20 0 FDADHL CC[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000844157881 947833468 /nfs/dbraw/zinc/83/34/68/947833468.db2.gz ILDCTBQCHWXIDV-JTQLQIEISA-N -2 3 360.407 1.353 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844791432 948389325 /nfs/dbraw/zinc/38/93/25/948389325.db2.gz YFBNWJXKDQAEOW-VIFPVBQESA-N -2 3 356.828 1.749 20 0 FDADHL COCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844893155 948477758 /nfs/dbraw/zinc/47/77/58/948477758.db2.gz XYNAOZPNJRNCRE-UHFFFAOYSA-N -2 3 372.262 1.914 20 0 FDADHL CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844894382 948481048 /nfs/dbraw/zinc/48/10/48/948481048.db2.gz QKQOAOVKRDOUAR-JOCHJYFZSA-N -2 3 369.411 1.489 20 0 FDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001570971402 950328883 /nfs/dbraw/zinc/32/88/83/950328883.db2.gz HVDUBIWFGOUDGU-JTQLQIEISA-N -2 3 355.362 1.102 20 0 FDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001570971402 950328907 /nfs/dbraw/zinc/32/89/07/950328907.db2.gz HVDUBIWFGOUDGU-JTQLQIEISA-N -2 3 355.362 1.102 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1F ZINC000846713686 951477070 /nfs/dbraw/zinc/47/70/70/951477070.db2.gz XPTBUMAQYILPRK-NSHDSACASA-N -2 3 358.391 1.203 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c1 ZINC000846773657 951589027 /nfs/dbraw/zinc/58/90/27/951589027.db2.gz QJTGHWLJQSHQPO-UHFFFAOYSA-N -2 3 373.402 1.987 20 0 FDADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CC(=O)[N-]OCc3ccccc3)C2)cn1 ZINC001594539089 955612354 /nfs/dbraw/zinc/61/23/54/955612354.db2.gz UJJBOJYHUPYCAS-CVEARBPZSA-N -2 3 372.425 1.158 20 0 FDADHL Cn1ncc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c1Br ZINC001594585744 955996027 /nfs/dbraw/zinc/99/60/27/955996027.db2.gz AXMWURPGGASPAV-UHFFFAOYSA-N -2 3 374.216 1.359 20 0 FDADHL Cn1nccc1[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(=O)[O-] ZINC001594590727 956058301 /nfs/dbraw/zinc/05/83/01/956058301.db2.gz YBVPSMYJMMYTGF-ZDUSSCGKSA-N -2 3 362.292 1.096 20 0 FDADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001573391343 958701808 /nfs/dbraw/zinc/70/18/08/958701808.db2.gz WQFQPJHSNLLARL-JTQLQIEISA-N -2 3 352.353 1.650 20 0 FDADHL COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001260230528 960719173 /nfs/dbraw/zinc/71/91/73/960719173.db2.gz FFCUNXCTFMMPRB-QGZVFWFLSA-N -2 3 363.391 1.752 20 0 FDADHL O=C([O-])C1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCOCC1 ZINC001574551677 961975527 /nfs/dbraw/zinc/97/55/27/961975527.db2.gz FYLRZKPNDQJNAL-UHFFFAOYSA-N -2 3 352.293 1.170 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1OC ZINC001185566919 963979440 /nfs/dbraw/zinc/97/94/40/963979440.db2.gz WENJLRAZFOGDIA-UHFFFAOYSA-N -2 3 362.371 1.080 20 0 FDADHL COc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185566808 963979965 /nfs/dbraw/zinc/97/99/65/963979965.db2.gz VAGNJXREGIKALV-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL COc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185566808 963979971 /nfs/dbraw/zinc/97/99/71/963979971.db2.gz VAGNJXREGIKALV-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185566990 963980748 /nfs/dbraw/zinc/98/07/48/963980748.db2.gz YSCCWXNXUIDOSV-UHFFFAOYSA-N -2 3 365.444 1.817 20 0 FDADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185566990 963980755 /nfs/dbraw/zinc/98/07/55/963980755.db2.gz YSCCWXNXUIDOSV-UHFFFAOYSA-N -2 3 365.444 1.817 20 0 FDADHL O=S(=O)([N-]c1cccc2nccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC001185598482 963997734 /nfs/dbraw/zinc/99/77/34/963997734.db2.gz PSMRKBMGQRPCGK-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1cccc2nccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598482 963997737 /nfs/dbraw/zinc/99/77/37/963997737.db2.gz PSMRKBMGQRPCGK-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL CN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c2C1=O ZINC001185612520 964005666 /nfs/dbraw/zinc/00/56/66/964005666.db2.gz MIQIHVVPSCPRGH-UHFFFAOYSA-N -2 3 370.394 1.253 20 0 FDADHL CN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2C1=O ZINC001185612520 964005675 /nfs/dbraw/zinc/00/56/75/964005675.db2.gz MIQIHVVPSCPRGH-UHFFFAOYSA-N -2 3 370.394 1.253 20 0 FDADHL O=c1[n-]cnc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1Br ZINC001185653289 964027396 /nfs/dbraw/zinc/02/73/96/964027396.db2.gz XKWFGBFJBQXGME-UHFFFAOYSA-N -2 3 365.596 1.794 20 0 FDADHL O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NC(=O)c1cnn[n-]1 ZINC001189349029 966937270 /nfs/dbraw/zinc/93/72/70/966937270.db2.gz PAXFKJRNHOBMJB-UHFFFAOYSA-N -2 3 350.334 1.915 20 0 FDADHL O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NC(=O)c1c[n-]nn1 ZINC001189349029 966937272 /nfs/dbraw/zinc/93/72/72/966937272.db2.gz PAXFKJRNHOBMJB-UHFFFAOYSA-N -2 3 350.334 1.915 20 0 FDADHL O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NC(=O)c1cn[n-]n1 ZINC001189349029 966937276 /nfs/dbraw/zinc/93/72/76/966937276.db2.gz PAXFKJRNHOBMJB-UHFFFAOYSA-N -2 3 350.334 1.915 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000776574564 967131606 /nfs/dbraw/zinc/13/16/06/967131606.db2.gz SDWUMMSAIXMXAM-RKDXNWHRSA-N -2 3 351.856 1.940 20 0 FDADHL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765578 967248689 /nfs/dbraw/zinc/24/86/89/967248689.db2.gz NMKGIWKUJIKSHR-QMMMGPOBSA-N -2 3 365.260 1.427 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000776627947 967700413 /nfs/dbraw/zinc/70/04/13/967700413.db2.gz YTBQHQHRXBWVPO-LKFCYVNXSA-N -2 3 363.867 1.941 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC000776631882 967730758 /nfs/dbraw/zinc/73/07/58/967730758.db2.gz NTAOIMIXYJQJJT-ZDUSSCGKSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)no1 ZINC001192149896 968969871 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353.755 1.218 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cc1Cl ZINC000594573629 552335444 /nfs/dbraw/zinc/33/54/44/552335444.db2.gz PFQWLRHMWAUSNI-JTQLQIEISA-N -2 3 353.755 1.218 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)CCOCC1 ZINC000600652998 553291955 /nfs/dbraw/zinc/29/19/55/553291955.db2.gz XGIMVEBJSWTWGQ-UHFFFAOYSA-N -2 3 373.427 1.506 20 0 FDADHL Cc1cc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614092763 555008513 /nfs/dbraw/zinc/00/85/13/555008513.db2.gz GWUKLVRSITXFML-ZYHUDNBSSA-N -2 3 361.377 1.003 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000614824157 555122797 /nfs/dbraw/zinc/12/27/97/555122797.db2.gz CZYJWILKNYOREP-RQJHMYQMSA-N -2 3 370.818 1.996 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c[n-]1 ZINC000618906260 555693763 /nfs/dbraw/zinc/69/37/63/555693763.db2.gz CTGPFFZQZVFNAA-SECBINFHSA-N -2 3 351.384 1.711 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)[n-]1 ZINC000618906260 555693764 /nfs/dbraw/zinc/69/37/64/555693764.db2.gz CTGPFFZQZVFNAA-SECBINFHSA-N -2 3 351.384 1.711 20 0 FDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3[nH]nc(C)c3[O-])c2)[n-]1 ZINC000619141456 555729336 /nfs/dbraw/zinc/72/93/36/555729336.db2.gz BDKNUGZKQWOUPU-UHFFFAOYSA-N -2 3 370.369 1.316 20 0 FDADHL C[C@@]1(c2cccc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)NC(=O)[N-]C1=O ZINC000621575921 556114237 /nfs/dbraw/zinc/11/42/37/556114237.db2.gz VCEOCHWVLWEUTQ-SFHVURJKSA-N -2 3 359.382 1.211 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(C)o1 ZINC000621612210 556121903 /nfs/dbraw/zinc/12/19/03/556121903.db2.gz VMUQVVDPTVKUCQ-LURJTMIESA-N -2 3 373.412 1.142 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)[O-] ZINC000629297051 557755689 /nfs/dbraw/zinc/75/56/89/557755689.db2.gz NJZPLNMQEDYGOM-SECBINFHSA-N -2 3 370.196 1.275 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000629291404 557753811 /nfs/dbraw/zinc/75/38/11/557753811.db2.gz FLKZAELMKBPOLU-SECBINFHSA-N -2 3 370.196 1.011 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630419454 557907534 /nfs/dbraw/zinc/90/75/34/557907534.db2.gz JHMBMHAHYUUFET-SSDOTTSWSA-N -2 3 358.235 1.279 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000630424226 557908262 /nfs/dbraw/zinc/90/82/62/557908262.db2.gz VOCOYCUMUGGYSN-MWLCHTKSSA-N -2 3 353.318 1.616 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCCOC1 ZINC000630433531 557909135 /nfs/dbraw/zinc/90/91/35/557909135.db2.gz VBGOEVVLAYTHJZ-AWEZNQCLSA-N -2 3 365.810 1.780 20 0 FDADHL CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cc([O-])c(F)cc2F)CCOC1 ZINC000634793643 558529280 /nfs/dbraw/zinc/52/92/80/558529280.db2.gz UFSIHFNULJGLIA-AWEZNQCLSA-N -2 3 351.371 1.996 20 0 FDADHL COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000315348951 568386163 /nfs/dbraw/zinc/38/61/63/568386163.db2.gz YORNOTGIERJWBK-MRVPVSSYSA-N -2 3 351.808 1.750 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000737105461 598841224 /nfs/dbraw/zinc/84/12/24/598841224.db2.gz HCMOUIPQBXUZFN-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737105461 598841225 /nfs/dbraw/zinc/84/12/25/598841225.db2.gz HCMOUIPQBXUZFN-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)c21 ZINC000738320916 598842082 /nfs/dbraw/zinc/84/20/82/598842082.db2.gz SULAMGGFOZADRL-UHFFFAOYSA-N -2 3 374.357 1.050 20 0 FDADHL O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000738320916 598842083 /nfs/dbraw/zinc/84/20/83/598842083.db2.gz SULAMGGFOZADRL-UHFFFAOYSA-N -2 3 374.357 1.050 20 0 FDADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735984977 598923888 /nfs/dbraw/zinc/92/38/88/598923888.db2.gz HVCTYWHIALULBB-LLVKDONJSA-N -2 3 363.443 1.888 20 0 FDADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735984977 598923890 /nfs/dbraw/zinc/92/38/90/598923890.db2.gz HVCTYWHIALULBB-LLVKDONJSA-N -2 3 363.443 1.888 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(Cl)c1 ZINC000823582835 599233729 /nfs/dbraw/zinc/23/37/29/599233729.db2.gz BMXLVTPMLCNYIZ-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCSC1 ZINC000822935264 607325870 /nfs/dbraw/zinc/32/58/70/607325870.db2.gz IVFGIBYPYPWCBB-AWEZNQCLSA-N -2 3 351.363 1.542 20 0 FDADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCSC1 ZINC000822935264 607325871 /nfs/dbraw/zinc/32/58/71/607325871.db2.gz IVFGIBYPYPWCBB-AWEZNQCLSA-N -2 3 351.363 1.542 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000737362465 598452509 /nfs/dbraw/zinc/45/25/09/598452509.db2.gz PNLCJCQWKMRKID-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N(C)C ZINC000737281743 598607101 /nfs/dbraw/zinc/60/71/01/598607101.db2.gz XPIBZVNOPYSXMK-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N(C)C ZINC000737281743 598607103 /nfs/dbraw/zinc/60/71/03/598607103.db2.gz XPIBZVNOPYSXMK-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Cl)c1[O-] ZINC000737888443 599495233 /nfs/dbraw/zinc/49/52/33/599495233.db2.gz CLCMXABPSOYJRI-UHFFFAOYSA-N -2 3 372.772 1.594 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1Cc2ccccc21 ZINC000823284472 599620145 /nfs/dbraw/zinc/62/01/45/599620145.db2.gz HRVLJACMQIENDU-CQSZACIVSA-N -2 3 355.379 1.012 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1Cc2ccccc21 ZINC000823284472 599620146 /nfs/dbraw/zinc/62/01/46/599620146.db2.gz HRVLJACMQIENDU-CQSZACIVSA-N -2 3 355.379 1.012 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000739310316 599773889 /nfs/dbraw/zinc/77/38/89/599773889.db2.gz ZUMVMNISRYBMOD-UHFFFAOYSA-N -2 3 358.759 1.548 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000476753211 599926510 /nfs/dbraw/zinc/92/65/10/599926510.db2.gz CKCGWYJIUJMJDF-UHFFFAOYSA-N -3 3 365.363 1.957 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000296837365 599980949 /nfs/dbraw/zinc/98/09/49/599980949.db2.gz BOEYQRZNTSSRIZ-MRVPVSSYSA-N -2 3 373.280 1.139 20 0 FDADHL O=C([O-])C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000263402906 600104981 /nfs/dbraw/zinc/10/49/81/600104981.db2.gz HBBPSSPQOOVCBY-PIMMBPRGSA-N -2 3 360.410 1.756 20 0 FDADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000325103145 600169651 /nfs/dbraw/zinc/16/96/51/600169651.db2.gz UPIMEPZPVBPNBO-UHFFFAOYSA-N -2 3 352.343 1.684 20 0 FDADHL O=C([O-])c1sccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739325043 600367905 /nfs/dbraw/zinc/36/79/05/600367905.db2.gz OVZGOIDJYQLICI-UHFFFAOYSA-N -2 3 374.330 1.125 20 0 FDADHL COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737642810 600490716 /nfs/dbraw/zinc/49/07/16/600490716.db2.gz PJTCPSPGYWZSPS-CQSZACIVSA-N -2 3 368.411 1.036 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC000737691010 600517954 /nfs/dbraw/zinc/51/79/54/600517954.db2.gz HNIWHXWMOFYYQQ-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)o1 ZINC000740133122 600518094 /nfs/dbraw/zinc/51/80/94/600518094.db2.gz WJMDESFFLVQNJL-UHFFFAOYSA-N -2 3 361.788 1.819 20 0 FDADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826486707 607461020 /nfs/dbraw/zinc/46/10/20/607461020.db2.gz NJWGNRNJMYDRCD-UHFFFAOYSA-N -2 3 373.320 1.551 20 0 FDADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1n[nH]cc1-c1nn[n-]n1 ZINC000826486707 607461021 /nfs/dbraw/zinc/46/10/21/607461021.db2.gz NJWGNRNJMYDRCD-UHFFFAOYSA-N -2 3 373.320 1.551 20 0 FDADHL O=C([O-])CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CCOCC1 ZINC000833236581 600720653 /nfs/dbraw/zinc/72/06/53/600720653.db2.gz RWKBIZMYSYDCRD-UHFFFAOYSA-N -2 3 363.443 1.916 20 0 FDADHL COC(=O)c1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C(=O)[O-] ZINC000831399747 600952240 /nfs/dbraw/zinc/95/22/40/600952240.db2.gz XBJFEKDFTGRAEV-UHFFFAOYSA-N -2 3 373.365 1.855 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000833027088 601216520 /nfs/dbraw/zinc/21/65/20/601216520.db2.gz ONCVKLAPCJXJRA-UHFFFAOYSA-N -2 3 366.395 1.467 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC000833029032 601222100 /nfs/dbraw/zinc/22/21/00/601222100.db2.gz XQVAJSCVAVCDMB-JTQLQIEISA-N -2 3 374.415 1.574 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000319678042 601228529 /nfs/dbraw/zinc/22/85/29/601228529.db2.gz TYQSYTRNZAWXDU-NSHDSACASA-N -2 3 351.327 1.139 20 0 FDADHL CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826990070 601229148 /nfs/dbraw/zinc/22/91/48/601229148.db2.gz MZCWOHKZXMIBQE-UHFFFAOYSA-N -2 3 351.327 1.283 20 0 FDADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000833085650 601394164 /nfs/dbraw/zinc/39/41/64/601394164.db2.gz VZRLKLFAGHXRKP-UHFFFAOYSA-N -2 3 358.759 1.209 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)c1F ZINC000833295170 601522139 /nfs/dbraw/zinc/52/21/39/601522139.db2.gz NLXCCSVJHXHBTJ-QMMMGPOBSA-N -2 3 358.326 1.068 20 0 FDADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826045701 601611370 /nfs/dbraw/zinc/61/13/70/601611370.db2.gz XIUQFFQLYXKXGC-ZUZCIYMTSA-N -2 3 352.346 1.762 20 0 FDADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000829865499 601836303 /nfs/dbraw/zinc/83/63/03/601836303.db2.gz FEIGRLXQNVZGAF-CYBMUJFWSA-N -2 3 357.428 1.782 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000826067804 607533788 /nfs/dbraw/zinc/53/37/88/607533788.db2.gz LBDIMRZZZBTLKQ-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826067804 607533790 /nfs/dbraw/zinc/53/37/90/607533790.db2.gz LBDIMRZZZBTLKQ-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833023292 601999667 /nfs/dbraw/zinc/99/96/67/601999667.db2.gz WWZSEIBQRMMZAL-UHFFFAOYSA-N -2 3 374.396 1.073 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000833029199 602000532 /nfs/dbraw/zinc/00/05/32/602000532.db2.gz ZHXMVZJPWRCVJF-KGLIPLIRSA-N -2 3 372.443 1.208 20 0 FDADHL COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)c1[O-] ZINC000739944218 602127102 /nfs/dbraw/zinc/12/71/02/602127102.db2.gz CAUBPQQPJUBDSD-UHFFFAOYSA-N -2 3 372.381 1.848 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000096876584 602158962 /nfs/dbraw/zinc/15/89/62/602158962.db2.gz NAPJCWAAEQNABY-ZETCQYMHSA-N -2 3 370.221 1.690 20 0 FDADHL CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000739288533 602186374 /nfs/dbraw/zinc/18/63/74/602186374.db2.gz ZHDNNVLNFKDZNS-SFHVURJKSA-N -2 3 363.414 1.503 20 0 FDADHL C[C@@H](NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000738993941 602522615 /nfs/dbraw/zinc/52/26/15/602522615.db2.gz HMINBLBFVWCHBD-ZCFIWIBFSA-N -2 3 369.321 1.672 20 0 FDADHL O=C([O-])N1CCC[C@H]1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740723002 602921574 /nfs/dbraw/zinc/92/15/74/602921574.db2.gz VRFWEPVOEJOREB-GXTWGEPZSA-N -2 3 362.382 1.682 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C(C)C ZINC000740245138 603085817 /nfs/dbraw/zinc/08/58/17/603085817.db2.gz GGAUUHAFRAEYIC-GFCCVEGCSA-N -2 3 352.844 1.343 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCNC(=O)[O-])s1 ZINC000829900880 603113155 /nfs/dbraw/zinc/11/31/55/603113155.db2.gz WQDGFJPDNDEPLL-UHFFFAOYSA-N -2 3 357.251 1.755 20 0 FDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)NC(=O)[O-] ZINC000824122985 603118456 /nfs/dbraw/zinc/11/84/56/603118456.db2.gz LFMIJWPZYYGWHE-VIFPVBQESA-N -2 3 366.237 1.415 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830862125 603127436 /nfs/dbraw/zinc/12/74/36/603127436.db2.gz UEJCZDXTQBFVPD-BDAKNGLRSA-N -2 3 350.828 1.097 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c(=O)[n-]1 ZINC000740220420 603212173 /nfs/dbraw/zinc/21/21/73/603212173.db2.gz XQLPVNRWBKYWHB-GWCFXTLKSA-N -2 3 366.418 1.351 20 0 FDADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000739927564 603241853 /nfs/dbraw/zinc/24/18/53/603241853.db2.gz QDBDYRMNHBIRHV-SSDOTTSWSA-N -2 3 369.262 1.931 20 0 FDADHL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000832254655 603474449 /nfs/dbraw/zinc/47/44/49/603474449.db2.gz LQXHYNGIQGNGRZ-CHWSQXEVSA-N -2 3 361.398 1.113 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)[O-])C2)sc1Br ZINC000830133575 603507084 /nfs/dbraw/zinc/50/70/84/603507084.db2.gz WLCUETJTQAFWSC-ZETCQYMHSA-N -2 3 369.262 1.850 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(C)o1 ZINC000828579847 603515476 /nfs/dbraw/zinc/51/54/76/603515476.db2.gz RHCMKOCBLAZZKU-SNVBAGLBSA-N -2 3 372.403 1.901 20 0 FDADHL CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 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COCCN(CC(=O)[O-])C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001593998844 956913673 /nfs/dbraw/zinc/91/36/73/956913673.db2.gz YKCKXTGIOALITP-UHFFFAOYSA-N -2 3 359.404 1.663 20 0 FDADHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC001594728149 957023258 /nfs/dbraw/zinc/02/32/58/957023258.db2.gz XPWRDIMVYJGQAH-LSDHHAIUSA-N -2 3 350.330 1.613 20 0 FDADHL CC[C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-] ZINC001263071504 957291473 /nfs/dbraw/zinc/29/14/73/957291473.db2.gz CEIOGXVMDLSICT-SNVBAGLBSA-N -2 3 353.341 1.197 20 0 FDADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594046231 957928837 /nfs/dbraw/zinc/92/88/37/957928837.db2.gz WRASGAAIQADMMO-SNVBAGLBSA-N -2 3 373.365 1.580 20 0 FDADHL C[C@@H](C(=O)[O-])C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001588565112 959133395 /nfs/dbraw/zinc/13/33/95/959133395.db2.gz PEEXGCICBQXOLP-NXEZZACHSA-N -2 3 358.316 1.906 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c(-c2ccccc2)s1 ZINC001594460492 959452833 /nfs/dbraw/zinc/45/28/33/959452833.db2.gz XXFOZUBAVUGLDG-AWEZNQCLSA-N -2 3 356.425 1.232 20 0 FDADHL Cc1c(Br)ccc([O-])c1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001594252149 959617579 /nfs/dbraw/zinc/61/75/79/959617579.db2.gz INFRZBKWCLUAFD-UHFFFAOYSA-N -2 3 355.148 1.392 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)n1 ZINC001594268847 959776079 /nfs/dbraw/zinc/77/60/79/959776079.db2.gz BXYPVNBCPFFOCX-UGSOOPFHSA-N -2 3 360.414 1.387 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-]C1(C(=O)[O-])CCCC1)c1ccccc1F ZINC001604913625 972466601 /nfs/dbraw/zinc/46/66/01/972466601.db2.gz CGRHKDLLMSAGJL-QFIPXVFZSA-N -2 3 364.420 1.514 20 0 FDADHL COC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224491 960690484 /nfs/dbraw/zinc/69/04/84/960690484.db2.gz JWSYBUFADFDVRD-UHFFFAOYSA-N -2 3 367.782 1.799 20 0 FDADHL Cc1cc(C(=O)NC[C@H]2c3ccccc3CN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001171860332 961330206 /nfs/dbraw/zinc/33/02/06/961330206.db2.gz FYRZGGNVEOHQIA-AWEZNQCLSA-N -2 3 365.393 1.661 20 0 FDADHL O=C([O-])[C@@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC=CCC1 ZINC001574568039 962050750 /nfs/dbraw/zinc/05/07/50/962050750.db2.gz WSXBMHSHVZZXHZ-ABAIWWIYSA-N -2 3 362.348 1.715 20 0 FDADHL COC(=O)C1CC2(C1)CN(Cc1ccc([O-])c(F)c1F)C[C@@H]2C(=O)[O-] ZINC001574046238 962109048 /nfs/dbraw/zinc/10/90/48/962109048.db2.gz BSAGATXLTXOWLA-VVHFOWEKSA-N -2 3 355.337 1.756 20 0 FDADHL O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c2ccccc21 ZINC001574593982 962138097 /nfs/dbraw/zinc/13/80/97/962138097.db2.gz MMUWALYITUDYBX-NWDGAFQWSA-N -2 3 370.369 1.132 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001574081962 962295360 /nfs/dbraw/zinc/29/53/60/962295360.db2.gz SALHJXIDSYLXOC-UHFFFAOYSA-N -2 3 360.322 1.467 20 0 FDADHL Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(=O)[n-]1 ZINC001549042698 962951325 /nfs/dbraw/zinc/95/13/25/962951325.db2.gz WDFXAWULHOJMMH-HZPDHXFCSA-N -2 3 355.394 1.668 20 0 FDADHL CCOC(Cc1c(=O)[n-]cnc1Nc1cnn(CC(=O)[O-])c1)OCC ZINC001176264420 963413600 /nfs/dbraw/zinc/41/36/00/963413600.db2.gz CVAHWTVWQQPGSC-UHFFFAOYSA-N -2 3 351.363 1.149 20 0 FDADHL O=C([N-]C1(c2nn[n-]n2)CCC1)C(F)(F)c1ncccc1Br ZINC001176726220 963522604 /nfs/dbraw/zinc/52/26/04/963522604.db2.gz OQHBUVUKOHPAGN-UHFFFAOYSA-N -2 3 373.161 1.645 20 0 FDADHL O=C(CCCCCCCNC(=O)c1ccccc1[O-])NCc1nnn[n-]1 ZINC001185936656 964203506 /nfs/dbraw/zinc/20/35/06/964203506.db2.gz GFUNRFCWCYYEMD-UHFFFAOYSA-N -2 3 360.418 1.292 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)c(F)cc1F ZINC000776597220 967349636 /nfs/dbraw/zinc/34/96/36/967349636.db2.gz AWAKFSDDXLUVRU-LSDHHAIUSA-N -2 3 371.361 1.738 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)c1ccccc1 ZINC000776600545 967404014 /nfs/dbraw/zinc/40/40/14/967404014.db2.gz JLHPMLYBDCOVGV-KGLIPLIRSA-N -2 3 373.789 1.944 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc1ccccc1 ZINC000776604134 967426246 /nfs/dbraw/zinc/42/62/46/967426246.db2.gz PWWUPMFDAKKNEK-LBPRGKRZSA-N -2 3 371.846 1.746 20 0 FDADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])nnn1-c1ccc(F)cc1 ZINC001189937646 967439065 /nfs/dbraw/zinc/43/90/65/967439065.db2.gz UTENJOXHBPMTPV-UHFFFAOYSA-N -2 3 356.294 1.403 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000776633445 967714491 /nfs/dbraw/zinc/71/44/91/967714491.db2.gz CUVMZPDBKKEIOH-DOMZBBRYSA-N -2 3 359.375 1.534 20 0 FDADHL NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c([O-])c2)c([O-])cc1Cl ZINC001191026813 968240614 /nfs/dbraw/zinc/24/06/14/968240614.db2.gz YSBFXENMODYRLS-UHFFFAOYSA-N -2 3 360.750 1.790 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1CO ZINC001192729760 969247421 /nfs/dbraw/zinc/24/74/21/969247421.db2.gz VNYWHJXVQFIOPE-UHFFFAOYSA-N -2 3 351.380 1.752 20 0 FDADHL Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)n1 ZINC000852735571 969289799 /nfs/dbraw/zinc/28/97/99/969289799.db2.gz IWIOPUNGTZUEFU-QWHCGFSZSA-N -2 3 359.348 1.795 20 0 FDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001118510904 969666902 /nfs/dbraw/zinc/66/69/02/969666902.db2.gz GBBDSRFFKUTLKF-OAHLLOKOSA-N -2 3 358.391 1.314 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)n[n-]1 ZINC001610342410 970728837 /nfs/dbraw/zinc/72/88/37/970728837.db2.gz YLCFSGHCGFFTHZ-UHFFFAOYSA-N -2 3 372.381 1.699 20 0 FDADHL CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)[n-]1 ZINC001610342410 970728844 /nfs/dbraw/zinc/72/88/44/970728844.db2.gz YLCFSGHCGFFTHZ-UHFFFAOYSA-N -2 3 372.381 1.699 20 0 FDADHL O=C([O-])C1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CCSCC1 ZINC001605931017 972860005 /nfs/dbraw/zinc/86/00/05/972860005.db2.gz QMYKKYPJDCDRIT-UHFFFAOYSA-N -2 3 351.428 1.664 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[O-])ccc2Cl)n1C ZINC001198404131 973065904 /nfs/dbraw/zinc/06/59/04/973065904.db2.gz OPPIQXIIQWFPGA-UHFFFAOYSA-N -2 3 365.820 1.429 20 0 FDADHL Cc1nn(-c2cccnc2)c(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001198637220 973339934 /nfs/dbraw/zinc/33/99/34/973339934.db2.gz BIJADHIQUNAQTL-UHFFFAOYSA-N -2 3 352.331 1.572 20 0 FDADHL COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001198810277 973555543 /nfs/dbraw/zinc/55/55/43/973555543.db2.gz NGSVSILUNJCYAF-KRWDZBQOSA-N -2 3 363.391 1.752 20 0 FDADHL O=C([O-])Cn1cnc([N-]C(=O)c2cc(Br)c(F)cc2F)n1 ZINC001606360337 973817479 /nfs/dbraw/zinc/81/74/79/973817479.db2.gz IYJRRPFPDLWMKK-UHFFFAOYSA-N -2 3 361.102 1.656 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC)CC(=O)[O-])c1 ZINC000794762477 973827072 /nfs/dbraw/zinc/82/70/72/973827072.db2.gz SWZQMOYIWFJGDQ-JTQLQIEISA-N -2 3 361.391 1.782 20 0 FDADHL Cc1ccc([O-])c([N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001201651742 975113440 /nfs/dbraw/zinc/11/34/40/975113440.db2.gz PJKANWDZASCZQA-NSHDSACASA-N -2 3 357.432 1.847 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2cccc(OC)c2)C(=O)[O-])s1 ZINC000681561331 976062494 /nfs/dbraw/zinc/06/24/94/976062494.db2.gz OGBBSZBGFTVEBZ-LBPRGKRZSA-N -2 3 370.452 1.688 20 0 FDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592470058 978216837 /nfs/dbraw/zinc/21/68/37/978216837.db2.gz GHMWOQHURHXPMK-ZETCQYMHSA-N -3 3 351.327 1.442 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000776503663 978731722 /nfs/dbraw/zinc/73/17/22/978731722.db2.gz QEHCHVFSHGWHEE-IMTBSYHQSA-N -2 3 355.199 1.156 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776538712 979005233 /nfs/dbraw/zinc/00/52/33/979005233.db2.gz TYYHJBJXKJPZAH-QMMMGPOBSA-N -2 3 366.798 1.827 20 0 FDADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776542610 979031068 /nfs/dbraw/zinc/03/10/68/979031068.db2.gz TYFPVGOMKHWRTE-MRVPVSSYSA-N -2 3 365.194 1.956 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])Oc1ccccc1Cl ZINC001592716350 979216845 /nfs/dbraw/zinc/21/68/45/979216845.db2.gz RKOZITRAXMSGAA-MRVPVSSYSA-N -2 3 359.791 1.507 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1F ZINC000776572375 979396623 /nfs/dbraw/zinc/39/66/23/979396623.db2.gz WMRKOFWBSQLGLN-SECBINFHSA-N -2 3 365.354 1.529 20 0 FDADHL CC[C@H](CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001595140574 979602146 /nfs/dbraw/zinc/60/21/46/979602146.db2.gz PCHVXNMDNOXLQB-GFCCVEGCSA-N -2 3 358.398 1.300 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)NCc1cccs1 ZINC001595310177 980466819 /nfs/dbraw/zinc/46/68/19/980466819.db2.gz CHAPSOALVFYDOS-NSHDSACASA-N -2 3 372.424 1.413 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc2c(c1)OCCO2 ZINC001595310172 980466897 /nfs/dbraw/zinc/46/68/97/980466897.db2.gz CEQZMMZKOCBCGQ-JTQLQIEISA-N -2 3 368.367 1.574 20 0 FDADHL CCC[C@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001595560308 981447727 /nfs/dbraw/zinc/44/77/27/981447727.db2.gz ZZFBQBXKIBPRGG-WHEQGISXSA-N -2 3 366.436 1.760 20 0 FDADHL CC[C@@](C)(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1OCCO1 ZINC001594830682 982014633 /nfs/dbraw/zinc/01/46/33/982014633.db2.gz 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O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)c1 ZINC000531434549 540097691 /nfs/dbraw/zinc/09/76/91/540097691.db2.gz KTTRPFMZHYGGHU-UHFFFAOYSA-N -3 3 360.351 1.472 20 0 FDADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000274924173 181196706 /nfs/dbraw/zinc/19/67/06/181196706.db2.gz BIPDEJXNIJVJNJ-NSHDSACASA-N -2 3 367.420 1.007 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000274942070 181201472 /nfs/dbraw/zinc/20/14/72/181201472.db2.gz GMTIXAHQCOVDOU-VIFPVBQESA-N -2 3 363.819 1.906 20 0 FDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532678711 540183766 /nfs/dbraw/zinc/18/37/66/540183766.db2.gz SLEUCTWSQNTHSS-SSDOTTSWSA-N -2 3 353.172 1.836 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])s1 ZINC000274960536 181206782 /nfs/dbraw/zinc/20/67/82/181206782.db2.gz HOKBMFJZDKPVND-ZETCQYMHSA-N -2 3 351.402 1.075 20 0 FDADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)s1 ZINC000274997123 181214053 /nfs/dbraw/zinc/21/40/53/181214053.db2.gz LINFZODQXVPVJH-GFCCVEGCSA-N -2 3 362.473 1.062 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275004375 181216611 /nfs/dbraw/zinc/21/66/11/181216611.db2.gz OSDPDHUVKJPNAU-SECBINFHSA-N -2 3 363.457 1.950 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)cc(F)c1F ZINC000275060055 181227727 /nfs/dbraw/zinc/22/77/27/181227727.db2.gz UQWRUHDSUZEIGK-LLVKDONJSA-N -2 3 365.354 1.529 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000275182189 181256684 /nfs/dbraw/zinc/25/66/84/181256684.db2.gz DOULJEPNQMYECR-VIFPVBQESA-N -2 3 353.755 1.164 20 0 FDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1Br ZINC000275205868 181260225 /nfs/dbraw/zinc/26/02/25/181260225.db2.gz HGFCWMFBHGIQSN-SSDOTTSWSA-N -2 3 358.160 1.836 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275246432 181269723 /nfs/dbraw/zinc/26/97/23/181269723.db2.gz KTPLZLNJSOKKCQ-GFCCVEGCSA-N -2 3 373.818 1.056 20 0 FDADHL O=C(Nc1ccncc1[O-])c1ccc(I)c([O-])c1 ZINC000546898704 542254666 /nfs/dbraw/zinc/25/46/66/542254666.db2.gz VUXGRTWGZLXSHR-UHFFFAOYSA-N -2 3 356.119 1.772 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SCC(N)=O)co1 ZINC000534414435 540366283 /nfs/dbraw/zinc/36/62/83/540366283.db2.gz ARQHEXHPZMISGF-UHFFFAOYSA-N -2 3 369.424 1.017 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)c1 ZINC000537196816 540699458 /nfs/dbraw/zinc/69/94/58/540699458.db2.gz RERHQHNXDSUKNC-UHFFFAOYSA-N -2 3 350.396 1.838 20 0 FDADHL Cc1cc(=NC(=O)c2cnc([O-])n(C)c2=O)[n-]n1-c1cc(C)cc(C)c1 ZINC000537490477 540734259 /nfs/dbraw/zinc/73/42/59/540734259.db2.gz LMAHYTNQMANYIC-UHFFFAOYSA-N -2 3 353.382 1.849 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000541001783 541134174 /nfs/dbraw/zinc/13/41/74/541134174.db2.gz RERVLVPQEJMBPO-UHFFFAOYSA-N -2 3 370.814 1.963 20 0 FDADHL Cc1ncc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(=O)[n-]1 ZINC000544261132 541742399 /nfs/dbraw/zinc/74/23/99/541742399.db2.gz GVTZGSZWJUUSCK-CQSZACIVSA-N -2 3 356.382 1.117 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000545558590 541999831 /nfs/dbraw/zinc/99/98/31/541999831.db2.gz WPCLDESRJRUYPQ-NHYWBVRUSA-N -2 3 359.375 1.140 20 0 FDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000287740815 183371852 /nfs/dbraw/zinc/37/18/52/183371852.db2.gz ZUSPVFJTQBYCKX-QMMMGPOBSA-N -2 3 354.306 1.201 20 0 FDADHL C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000298114267 184395158 /nfs/dbraw/zinc/39/51/58/184395158.db2.gz OMHQSFDENSPNHA-PHIMTYICSA-N -2 3 362.473 1.224 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000547541846 542367569 /nfs/dbraw/zinc/36/75/69/542367569.db2.gz ZMFPODGMGCTNQI-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])c1 ZINC000547549620 542370590 /nfs/dbraw/zinc/37/05/90/542370590.db2.gz OHUDVQWKHCERLU-LBPRGKRZSA-N -2 3 352.416 1.081 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547554080 542371833 /nfs/dbraw/zinc/37/18/33/542371833.db2.gz WKPSZCCEABODIK-QWRGUYRKSA-N -2 3 358.372 1.061 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](CCCc2ccccc2)C(=O)[O-])nc1C ZINC000547565924 542377154 /nfs/dbraw/zinc/37/71/54/542377154.db2.gz QPCZLDRFLIXUGJ-OAHLLOKOSA-N -2 3 365.455 1.966 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)s1 ZINC000547571124 542378961 /nfs/dbraw/zinc/37/89/61/542378961.db2.gz UHNBBICVNGGAEF-UHFFFAOYSA-N -2 3 370.408 1.415 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000547588137 542384259 /nfs/dbraw/zinc/38/42/59/542384259.db2.gz KFNUEWWQBWNKQD-MUWHJKNJSA-N -2 3 372.262 1.403 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)s1 ZINC000547871800 542470880 /nfs/dbraw/zinc/47/08/80/542470880.db2.gz UISCQZYJOKBEPV-JTQLQIEISA-N -2 3 361.422 1.700 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000547885625 542476889 /nfs/dbraw/zinc/47/68/89/542476889.db2.gz UPRNMYIVATYMDH-IUODEOHRSA-N -2 3 374.484 1.696 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c1 ZINC000547901725 542482306 /nfs/dbraw/zinc/48/23/06/542482306.db2.gz HKGRPPZRUNWGPT-GFCCVEGCSA-N -2 3 359.787 1.916 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000547901049 542482448 /nfs/dbraw/zinc/48/24/48/542482448.db2.gz ITRXSCATESSZMB-ZDUSSCGKSA-N -2 3 373.402 1.924 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)CC(=O)[O-] ZINC000547910648 542484748 /nfs/dbraw/zinc/48/47/48/542484748.db2.gz QSJLTUSDHFRASV-QMMMGPOBSA-N -2 3 365.429 1.323 20 0 FDADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cn1C ZINC000547921640 542489156 /nfs/dbraw/zinc/48/91/56/542489156.db2.gz GTAAAVLBNLGEDN-UHFFFAOYSA-N -2 3 369.374 1.365 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)cc1F ZINC000547932578 542491648 /nfs/dbraw/zinc/49/16/48/542491648.db2.gz FIRLPBPYLLHAKW-ZDUSSCGKSA-N -2 3 363.382 1.821 20 0 FDADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000547938105 542493638 /nfs/dbraw/zinc/49/36/38/542493638.db2.gz UQTMZCZQNRKGLD-VIFPVBQESA-N -2 3 353.849 1.950 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000547936701 542493921 /nfs/dbraw/zinc/49/39/21/542493921.db2.gz LVQNOLZCBWZRGJ-ZDUSSCGKSA-N -2 3 369.468 1.128 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)cnc2c1Cl ZINC000547938973 542494429 /nfs/dbraw/zinc/49/44/29/542494429.db2.gz QTAWXVGKYDZFRD-SNVBAGLBSA-N -2 3 360.823 1.326 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)s1 ZINC000547940666 542495097 /nfs/dbraw/zinc/49/50/97/542495097.db2.gz UQZWLQOKPFHMDQ-CYBMUJFWSA-N -2 3 374.415 1.957 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000548199680 542581864 /nfs/dbraw/zinc/58/18/64/542581864.db2.gz CROBLHNORDNHFU-GFCCVEGCSA-N -2 3 371.392 1.345 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000548198153 542582272 /nfs/dbraw/zinc/58/22/72/542582272.db2.gz HHZXPJMIUWROHD-ZWNOBZJWSA-N -2 3 359.375 1.997 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548202618 542583564 /nfs/dbraw/zinc/58/35/64/542583564.db2.gz KEJQZPQNKQGRHY-KWQFWETISA-N -2 3 351.783 1.637 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(C(=O)[O-])c1 ZINC000548203666 542584403 /nfs/dbraw/zinc/58/44/03/542584403.db2.gz VFIWCYFLKQHFEC-UHFFFAOYSA-N -2 3 363.395 1.351 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cnc2c1Cl ZINC000548208884 542586624 /nfs/dbraw/zinc/58/66/24/542586624.db2.gz SGCTZNZPBDJXJE-ZETCQYMHSA-N -2 3 368.749 1.078 20 0 FDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548217411 542589884 /nfs/dbraw/zinc/58/98/84/542589884.db2.gz NZQOAPIHONVYNE-UHFFFAOYSA-N -2 3 361.441 1.013 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000548266863 542605937 /nfs/dbraw/zinc/60/59/37/542605937.db2.gz JLDFROAMFAGAEF-SNVBAGLBSA-N -2 3 358.391 1.346 20 0 FDADHL COc1cccc(CSC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C(=O)[O-])c1 ZINC000548268139 542606262 /nfs/dbraw/zinc/60/62/62/542606262.db2.gz XLNJYPFXPPWPOE-LBPRGKRZSA-N -2 3 371.440 1.083 20 0 FDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C(=O)[O-])c1 ZINC000548530186 542691974 /nfs/dbraw/zinc/69/19/74/542691974.db2.gz LBYIHKSTWCMWHG-LBPRGKRZSA-N -2 3 359.354 1.210 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c1 ZINC000548543473 542697028 /nfs/dbraw/zinc/69/70/28/542697028.db2.gz SPNAJDQCFNPXAN-CJNGLKHVSA-N -2 3 373.402 1.924 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000548543818 542697911 /nfs/dbraw/zinc/69/79/11/542697911.db2.gz YNCMFRVFCDXNFM-BLLLJJGKSA-N -2 3 373.402 1.924 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-] ZINC000548555916 542701934 /nfs/dbraw/zinc/70/19/34/542701934.db2.gz 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COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000551912126 543374372 /nfs/dbraw/zinc/37/43/72/543374372.db2.gz LMFXVYKRULKEAY-INIZCTEOSA-N -2 3 373.402 1.924 20 0 FDADHL O=C(N=c1[n-]nc(-c2cccc(OC(F)(F)F)c2)s1)c1nnc[n-]1 ZINC000553308152 543606859 /nfs/dbraw/zinc/60/68/59/543606859.db2.gz IOXDDQLAHFQNOF-UHFFFAOYSA-N -2 3 356.289 2.474 20 0 FDADHL O=C(N=c1[n-]nc(-c2cccc(OC(F)(F)F)c2)s1)c1nc[n-]n1 ZINC000553308152 543606860 /nfs/dbraw/zinc/60/68/60/543606860.db2.gz IOXDDQLAHFQNOF-UHFFFAOYSA-N -2 3 356.289 2.474 20 0 FDADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-])C1CC1 ZINC000554677006 543850221 /nfs/dbraw/zinc/85/02/21/543850221.db2.gz XRZKBHFGISENSL-GLEZIHRCSA-N -2 3 370.402 1.488 20 0 FDADHL CCCN(CCC)S(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000556348678 544134666 /nfs/dbraw/zinc/13/46/66/544134666.db2.gz GFOUHZKYBLSGPV-UHFFFAOYSA-N -2 3 361.420 1.367 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)oc1C ZINC000556776236 544199677 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ZINC000569452700 548922660 /nfs/dbraw/zinc/92/26/60/548922660.db2.gz PSTXLYCBCKFUNY-DGCLKSJQSA-N -2 3 351.384 1.307 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ncc(C(=O)[O-])s1 ZINC000569605369 548979671 /nfs/dbraw/zinc/97/96/71/548979671.db2.gz LKMWSEJVUHNRKC-MRVPVSSYSA-N -2 3 370.408 1.652 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000570720532 549388480 /nfs/dbraw/zinc/38/84/80/549388480.db2.gz HFFLCQPIJHNKBJ-CMPLNLGQSA-N -2 3 359.375 1.534 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C ZINC000571044050 549504884 /nfs/dbraw/zinc/50/48/84/549504884.db2.gz QSRUUMZAWYGBPJ-JTQLQIEISA-N -2 3 363.407 1.608 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)CCCC2)no1 ZINC000572638294 549962132 /nfs/dbraw/zinc/96/21/32/549962132.db2.gz ZCYAAFNTCIZJJM-UHFFFAOYSA-N -2 3 352.372 1.219 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc[nH]c2=O)c(F)c1 ZINC000572792224 549995549 /nfs/dbraw/zinc/99/55/49/549995549.db2.gz RBHWRWNVDWKZBH-UHFFFAOYSA-N -2 3 361.376 1.099 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000573163920 550077914 /nfs/dbraw/zinc/07/79/14/550077914.db2.gz NDBWVGWJDMEILU-PWSUYJOCSA-N -2 3 361.391 1.383 20 0 FDADHL COc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc(Cl)c1[O-] ZINC000574091899 550256232 /nfs/dbraw/zinc/25/62/32/550256232.db2.gz MEOHFYLABZRFQQ-JTQLQIEISA-N -2 3 351.794 1.573 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)s1 ZINC000574719997 550359858 /nfs/dbraw/zinc/35/98/58/550359858.db2.gz YNGKQDAVKXRPEE-UHFFFAOYSA-N -2 3 365.400 1.082 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000574719997 550359860 /nfs/dbraw/zinc/35/98/60/550359860.db2.gz YNGKQDAVKXRPEE-UHFFFAOYSA-N -2 3 365.400 1.082 20 0 FDADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000574875371 550384740 /nfs/dbraw/zinc/38/47/40/550384740.db2.gz ZBQZCUCFPAPCMA-YPMHNXCESA-N -2 3 360.432 1.161 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000574983027 550403580 /nfs/dbraw/zinc/40/35/80/550403580.db2.gz UKMWRBKTYOXTJC-RNCFNFMXSA-N -2 3 361.391 1.636 20 0 FDADHL CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576155911 550516963 /nfs/dbraw/zinc/51/69/63/550516963.db2.gz MYKYTEMSWAKEMT-SKDRFNHKSA-N -2 3 362.473 1.961 20 0 FDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000577038526 550613229 /nfs/dbraw/zinc/61/32/29/550613229.db2.gz QOYKFZXWFBXYLA-MNOVXSKESA-N -2 3 363.457 1.258 20 0 FDADHL CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000578328715 550752722 /nfs/dbraw/zinc/75/27/22/550752722.db2.gz GIPCQVXKTARIOJ-ZDUSSCGKSA-N -2 3 374.434 1.159 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000578354079 550755638 /nfs/dbraw/zinc/75/56/38/550755638.db2.gz KINHWRDNXNZYPP-UHFFFAOYSA-N -2 3 370.452 1.769 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cn1C ZINC000579561422 550885435 /nfs/dbraw/zinc/88/54/35/550885435.db2.gz NNYGRILFORRPGW-ZDUSSCGKSA-N -2 3 367.427 1.223 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)c1noc(C)n1 ZINC000579587658 550889318 /nfs/dbraw/zinc/88/93/18/550889318.db2.gz SSRZDLMMYHCSMQ-UHFFFAOYSA-N -2 3 361.401 1.360 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)cc1F ZINC000580872644 551027333 /nfs/dbraw/zinc/02/73/33/551027333.db2.gz WRMQINHRRJMJRZ-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL Cc1nc(=NC(=O)c2n[n-]c(-c3ccccc3)c2Br)[n-]n1C ZINC000581684590 551122109 /nfs/dbraw/zinc/12/21/09/551122109.db2.gz ULUGPXKQFJQLMJ-UHFFFAOYSA-N -2 3 361.203 2.528 20 0 FDADHL Cc1nc(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)[n-]n1C ZINC000581684590 551122110 /nfs/dbraw/zinc/12/21/10/551122110.db2.gz ULUGPXKQFJQLMJ-UHFFFAOYSA-N -2 3 361.203 2.528 20 0 FDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000582165957 551184585 /nfs/dbraw/zinc/18/45/85/551184585.db2.gz FKLRHITZLSWGNN-VIFPVBQESA-N -2 3 360.823 1.613 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000582902000 551279233 /nfs/dbraw/zinc/27/92/33/551279233.db2.gz BTMINGMCJQGMIY-LBPRGKRZSA-N -2 3 356.375 1.652 20 0 FDADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000582975592 551287424 /nfs/dbraw/zinc/28/74/24/551287424.db2.gz NNPKNLVACJSFGJ-RXMQYKEDSA-N -2 3 356.169 1.348 20 0 FDADHL CCO[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000583562361 551369626 /nfs/dbraw/zinc/36/96/26/551369626.db2.gz OZEPRSHIIPNUCW-LLVKDONJSA-N -2 3 356.425 1.897 20 0 FDADHL COc1ccccc1-c1cc(=NC(=O)CNC(=O)c2ccc([O-])cc2)[nH][n-]1 ZINC000589692992 551743010 /nfs/dbraw/zinc/74/30/10/551743010.db2.gz PAXYVPKIPUCRID-UHFFFAOYSA-N -2 3 366.377 2.159 20 0 FDADHL C[C@@]1(c2ccc(-c3nc4cccc(F)c4c(=O)[n-]3)cc2)NC(=O)[N-]C1=O ZINC000591726056 551903986 /nfs/dbraw/zinc/90/39/86/551903986.db2.gz CZEADRMDIGVDFE-SFHVURJKSA-N -2 3 352.325 1.784 20 0 FDADHL C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000592117146 551945055 /nfs/dbraw/zinc/94/50/55/551945055.db2.gz YCIYBGWWOQMXPI-KCJUWKMLSA-N -2 3 368.477 1.370 20 0 FDADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1[O-] ZINC000592352748 551983934 /nfs/dbraw/zinc/98/39/34/551983934.db2.gz LLCUPTAEVIMEER-GFCCVEGCSA-N -2 3 363.819 1.999 20 0 FDADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)CC2(OC)CCOCC2)c1[O-] ZINC000593211357 552072958 /nfs/dbraw/zinc/07/29/58/552072958.db2.gz TYAHRKZMHDTOAL-UHFFFAOYSA-N -2 3 373.427 1.425 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000593274191 552080762 /nfs/dbraw/zinc/08/07/62/552080762.db2.gz QPQBLMKIHXLHPL-MRVPVSSYSA-N -2 3 361.803 1.658 20 0 FDADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@H](C[C@H](C)C(=O)[O-])C1 ZINC000594573842 552335799 /nfs/dbraw/zinc/33/57/99/552335799.db2.gz UHFXFDUQPOOMEU-WDEREUQCSA-N -2 3 373.431 1.098 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000600658562 553293270 /nfs/dbraw/zinc/29/32/70/553293270.db2.gz LHQNLUZFAMFSJI-WCQYABFASA-N -2 3 373.402 1.924 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)n1 ZINC000614922328 555137878 /nfs/dbraw/zinc/13/78/78/555137878.db2.gz JUWRBNBIBOESCW-UHFFFAOYSA-N -2 3 355.398 1.526 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[n-]1 ZINC000617875960 555529386 /nfs/dbraw/zinc/52/93/86/555529386.db2.gz BXCIYKREPUATOE-UHFFFAOYSA-N -2 3 370.362 1.349 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c[n-]1 ZINC000618906819 555693756 /nfs/dbraw/zinc/69/37/56/555693756.db2.gz YLUAZGDCGKQWJK-UHFFFAOYSA-N -2 3 364.305 1.801 20 0 FDADHL C[C@@H]1[C@@H](C)N(C(=O)c2ncccc2[O-])CCN1C(=O)c1ncccc1[O-] ZINC000620744547 555977714 /nfs/dbraw/zinc/97/77/14/555977714.db2.gz KNLGFINFXAYXMG-VXGBXAGGSA-N -2 3 356.382 1.263 20 0 FDADHL C[C@@]1(c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000621567427 556113591 /nfs/dbraw/zinc/11/35/91/556113591.db2.gz SQVYOXIXXSQXPD-UGSOOPFHSA-N -2 3 359.382 1.211 20 0 FDADHL C[C@]1(c2cccc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)NC(=O)[N-]C1=O ZINC000621575920 556114098 /nfs/dbraw/zinc/11/40/98/556114098.db2.gz VCEOCHWVLWEUTQ-GOSISDBHSA-N -2 3 359.382 1.211 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000629287888 557752923 /nfs/dbraw/zinc/75/29/23/557752923.db2.gz BFJWUUOZIUWQIF-UHFFFAOYSA-N -2 3 367.431 1.194 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000629291405 557753773 /nfs/dbraw/zinc/75/37/73/557753773.db2.gz FLKZAELMKBPOLU-VIFPVBQESA-N -2 3 370.196 1.011 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2COc3cccc(C)c3C2)cc1C(=O)[O-] ZINC000629334307 557767392 /nfs/dbraw/zinc/76/73/92/557767392.db2.gz ORTXXBIQPJJTJT-NSHDSACASA-N -2 3 351.380 1.877 20 0 FDADHL CC1(C)CCC[C@@](NC(=O)C[N-]S(=O)(=O)c2cccs2)(C(=O)[O-])C1 ZINC000630247605 557891223 /nfs/dbraw/zinc/89/12/23/557891223.db2.gz OTCKRWHSAGXMOS-HNNXBMFYSA-N -2 3 374.484 1.566 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cc1 ZINC000630278262 557894484 /nfs/dbraw/zinc/89/44/84/557894484.db2.gz UJDYCGSUXVALGS-BXUZGUMPSA-N -2 3 370.427 1.058 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000630287539 557895168 /nfs/dbraw/zinc/89/51/68/557895168.db2.gz YZRJZCNZJUTJMF-GVXVVHGQSA-N -2 3 370.427 1.212 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000630421685 557907831 /nfs/dbraw/zinc/90/78/31/557907831.db2.gz GZAUNNYBAYIYGP-RYUDHWBXSA-N -2 3 351.783 1.531 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000737483726 598909741 /nfs/dbraw/zinc/90/97/41/598909741.db2.gz YBFTZWOYJGLEID-UHFFFAOYSA-N -2 3 354.392 1.880 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000737483726 598909742 /nfs/dbraw/zinc/90/97/42/598909742.db2.gz YBFTZWOYJGLEID-UHFFFAOYSA-N -2 3 354.392 1.880 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1c(C)cccc1C(N)=O ZINC000737300581 598930085 /nfs/dbraw/zinc/93/00/85/598930085.db2.gz CGLNQRTUVHUJAD-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C(N)=O ZINC000737300581 598930086 /nfs/dbraw/zinc/93/00/86/598930086.db2.gz CGLNQRTUVHUJAD-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000737299561 598975326 /nfs/dbraw/zinc/97/53/26/598975326.db2.gz RUZVIJQVJFMMCJ-CSKARUKUSA-N -2 3 369.406 1.693 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000737299561 598975328 /nfs/dbraw/zinc/97/53/28/598975328.db2.gz RUZVIJQVJFMMCJ-CSKARUKUSA-N -2 3 369.406 1.693 20 0 FDADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737823139 599155560 /nfs/dbraw/zinc/15/55/60/599155560.db2.gz FWQVWMUJYOZDEM-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737823139 599155561 /nfs/dbraw/zinc/15/55/61/599155561.db2.gz FWQVWMUJYOZDEM-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CCC(C(=O)[O-])CC3)nc(=O)c2c1C ZINC000739791506 596925716 /nfs/dbraw/zinc/92/57/16/596925716.db2.gz IXYSMRBBPBCXFL-UHFFFAOYSA-N -2 3 365.411 1.376 20 0 FDADHL O=C([O-])C1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1 ZINC000740389302 597032591 /nfs/dbraw/zinc/03/25/91/597032591.db2.gz IXMHCUMRSRQPGD-UHFFFAOYSA-N -2 3 370.402 1.394 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)[O-])C2)sc1Br ZINC000830133574 603507119 /nfs/dbraw/zinc/50/71/19/603507119.db2.gz WLCUETJTQAFWSC-SSDOTTSWSA-N -2 3 369.262 1.850 20 0 FDADHL CC[C@H](C)[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC000820432404 597399831 /nfs/dbraw/zinc/39/98/31/597399831.db2.gz YVUPSZITFYFZAM-ZBEGNZNMSA-N -2 3 372.425 1.688 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449758 607779192 /nfs/dbraw/zinc/77/91/92/607779192.db2.gz IKIGYNGNDCORQJ-UHFFFAOYSA-N -2 3 366.790 1.108 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449758 607779193 /nfs/dbraw/zinc/77/91/93/607779193.db2.gz IKIGYNGNDCORQJ-UHFFFAOYSA-N -2 3 366.790 1.108 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000822698725 607328220 /nfs/dbraw/zinc/32/82/20/607328220.db2.gz CGUJTWZDHOEMMY-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736732926 598438384 /nfs/dbraw/zinc/43/83/84/598438384.db2.gz ZPLOVVHZTVDWIG-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736732926 598438386 /nfs/dbraw/zinc/43/83/86/598438386.db2.gz ZPLOVVHZTVDWIG-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737370919 598491188 /nfs/dbraw/zinc/49/11/88/598491188.db2.gz YUWOEZZJWGEAMY-AREMUKBSSA-N -2 3 369.450 1.908 20 0 FDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737512569 598513151 /nfs/dbraw/zinc/51/31/51/598513151.db2.gz XOCHLISSVSNSBK-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735760552 598535902 /nfs/dbraw/zinc/53/59/02/598535902.db2.gz DCAHQGZWOAGAIB-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735760552 598535904 /nfs/dbraw/zinc/53/59/04/598535904.db2.gz DCAHQGZWOAGAIB-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cccc1C(=O)[O-] ZINC000737220433 598609279 /nfs/dbraw/zinc/60/92/79/598609279.db2.gz XRKKPAKGZLLSTQ-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)OCCCO2 ZINC000738345482 598638698 /nfs/dbraw/zinc/63/86/98/598638698.db2.gz OALHRTMWTXYUCN-UHFFFAOYSA-N -2 3 374.382 1.224 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736422293 598785210 /nfs/dbraw/zinc/78/52/10/598785210.db2.gz GZLSGZDIDAYYSH-LLVKDONJSA-N -2 3 367.431 1.128 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736422293 598785211 /nfs/dbraw/zinc/78/52/11/598785211.db2.gz GZLSGZDIDAYYSH-LLVKDONJSA-N -2 3 367.431 1.128 20 0 FDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000823387238 599305493 /nfs/dbraw/zinc/30/54/93/599305493.db2.gz GOFOGSREXJZVHS-UHFFFAOYSA-N -3 3 359.367 1.295 20 0 FDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588864 599307850 /nfs/dbraw/zinc/30/78/50/599307850.db2.gz CUDTVMIXAKNHCP-UHFFFAOYSA-N -2 3 363.378 1.413 20 0 FDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588864 599307851 /nfs/dbraw/zinc/30/78/51/599307851.db2.gz CUDTVMIXAKNHCP-UHFFFAOYSA-N -2 3 363.378 1.413 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000737547965 599314676 /nfs/dbraw/zinc/31/46/76/599314676.db2.gz ONYLBKONZCLSEN-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000737547965 599314678 /nfs/dbraw/zinc/31/46/78/599314678.db2.gz ONYLBKONZCLSEN-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1Cc2ccccc21 ZINC000823285396 599621793 /nfs/dbraw/zinc/62/17/93/599621793.db2.gz SEEHWNRUXHMIBX-OAHLLOKOSA-N -2 3 369.406 1.153 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1Cc2ccccc21 ZINC000823285396 599621794 /nfs/dbraw/zinc/62/17/94/599621794.db2.gz SEEHWNRUXHMIBX-OAHLLOKOSA-N -2 3 369.406 1.153 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000737691366 599812749 /nfs/dbraw/zinc/81/27/49/599812749.db2.gz MXSDAVLGNYATAX-CQSZACIVSA-N -2 3 367.354 1.717 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000826249865 607401175 /nfs/dbraw/zinc/40/11/75/607401175.db2.gz YVLNJYNQMSQJJP-GFCCVEGCSA-N -2 3 371.422 1.996 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000826249865 607401177 /nfs/dbraw/zinc/40/11/77/607401177.db2.gz YVLNJYNQMSQJJP-GFCCVEGCSA-N -2 3 371.422 1.996 20 0 FDADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000739767011 599854021 /nfs/dbraw/zinc/85/40/21/599854021.db2.gz QFTKJCYHWRZIOU-UHFFFAOYSA-N -2 3 373.394 1.480 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000740177595 599925031 /nfs/dbraw/zinc/92/50/31/599925031.db2.gz KYCLBKHPOVBPHC-UHFFFAOYSA-N -3 3 351.369 1.427 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1cccc(F)c1 ZINC000739298601 599984048 /nfs/dbraw/zinc/98/40/48/599984048.db2.gz WKLFNVMJVFYOGS-CQSZACIVSA-N -2 3 374.368 1.321 20 0 FDADHL O=C([O-])[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000262667180 600030174 /nfs/dbraw/zinc/03/01/74/600030174.db2.gz NVBWODRXFJEFPI-QMMMGPOBSA-N -2 3 366.848 1.003 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000738569096 600170124 /nfs/dbraw/zinc/17/01/24/600170124.db2.gz CMSPKOAPDOOMAS-LBPRGKRZSA-N -2 3 371.846 1.837 20 0 FDADHL O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739724139 600361686 /nfs/dbraw/zinc/36/16/86/600361686.db2.gz RVXXLFXWJYQUBX-UHFFFAOYSA-N -2 3 352.346 1.687 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)o1 ZINC000740175704 600503746 /nfs/dbraw/zinc/50/37/46/600503746.db2.gz VPVXSWQMKWCGNI-JTQLQIEISA-N -2 3 368.342 1.201 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000737691871 600517882 /nfs/dbraw/zinc/51/78/82/600517882.db2.gz SLRURHIFYDHYAS-UHFFFAOYSA-N -2 3 373.770 1.896 20 0 FDADHL CC(C)(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000736243431 600644924 /nfs/dbraw/zinc/64/49/24/600644924.db2.gz WDBCLALKBBXXQT-JTQLQIEISA-N -2 3 368.864 1.295 20 0 FDADHL CCOC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829857893 601214393 /nfs/dbraw/zinc/21/43/93/601214393.db2.gz UTDYYQVSLIFGNM-UHFFFAOYSA-N -2 3 360.388 1.185 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)cc1C(=O)[O-] ZINC000833028136 601219169 /nfs/dbraw/zinc/21/91/69/601219169.db2.gz KFGJCZGTHKSYCW-LLVKDONJSA-N -2 3 364.379 1.370 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000833028868 601220482 /nfs/dbraw/zinc/22/04/82/601220482.db2.gz RIRRHUBHDDKXMS-NXEZZACHSA-N -2 3 358.416 1.354 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000831084451 601238623 /nfs/dbraw/zinc/23/86/23/601238623.db2.gz LDDYSGWOYNVRRO-LLVKDONJSA-N -2 3 365.354 1.529 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC000431788277 601272205 /nfs/dbraw/zinc/27/22/05/601272205.db2.gz YSZXHPKPWXONFJ-UHFFFAOYSA-N -2 3 356.331 1.586 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c(C)o1 ZINC000831029024 601280647 /nfs/dbraw/zinc/28/06/47/601280647.db2.gz FOCRFOUFYLGQTL-UHFFFAOYSA-N -2 3 367.383 1.863 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c(C)o1 ZINC000831034192 601358052 /nfs/dbraw/zinc/35/80/52/601358052.db2.gz NHJKHBHYEAIZFO-MRVPVSSYSA-N -2 3 357.340 1.705 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000828183561 601518283 /nfs/dbraw/zinc/51/82/83/601518283.db2.gz JBFDJYLLHSOZJL-JSGCOSHPSA-N -2 3 366.439 1.355 20 0 FDADHL CCC(CC)(CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000825090044 607526913 /nfs/dbraw/zinc/52/69/13/607526913.db2.gz QAOBMJGMQLPYRX-UHFFFAOYSA-N -2 3 361.402 1.773 20 0 FDADHL CCC(CC)(CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000825090044 607526914 /nfs/dbraw/zinc/52/69/14/607526914.db2.gz QAOBMJGMQLPYRX-UHFFFAOYSA-N -2 3 361.402 1.773 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1F ZINC000833294053 601802356 /nfs/dbraw/zinc/80/23/56/601802356.db2.gz MUWZPXIQJYCKRY-SECBINFHSA-N -2 3 365.354 1.137 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000833028866 601809675 /nfs/dbraw/zinc/80/96/75/601809675.db2.gz RFIPLXWJDOPGLL-TVQRCGJNSA-N -2 3 370.427 1.212 20 0 FDADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000738639039 601982704 /nfs/dbraw/zinc/98/27/04/601982704.db2.gz IYKMXUBWVPCFQV-UHFFFAOYSA-N -2 3 354.215 1.809 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740247772 601993090 /nfs/dbraw/zinc/99/30/90/601993090.db2.gz YIOQJQMNWPABKB-WPRPVWTQSA-N -2 3 364.855 1.439 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000827569908 601999279 /nfs/dbraw/zinc/99/92/79/601999279.db2.gz BKZIMVDAOVQWTE-TZMCWYRMSA-N -2 3 371.455 1.580 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)cc1C(=O)[O-] ZINC000833029196 602000752 /nfs/dbraw/zinc/00/07/52/602000752.db2.gz ZHXMVZJPWRCVJF-KBPBESRZSA-N -2 3 372.443 1.208 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[S@@](C)=O ZINC000317230764 602225847 /nfs/dbraw/zinc/22/58/47/602225847.db2.gz UYAIVJCHLFXQII-MWAODPMSSA-N -2 3 355.384 1.098 20 0 FDADHL Cc1cc(=O)[n-]c(CSc2nc3nc(C)cc(C(=O)[O-])c3c(=O)[nH]2)n1 ZINC000832899477 602311179 /nfs/dbraw/zinc/31/11/79/602311179.db2.gz PAEYMMXOUUDHOM-UHFFFAOYSA-N -2 3 359.367 1.833 20 0 FDADHL C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000738908381 603017366 /nfs/dbraw/zinc/01/73/66/603017366.db2.gz KJCJGOGDLWEHRJ-VIFPVBQESA-N -2 3 354.388 1.821 20 0 FDADHL CCN(CC[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000827150207 603114515 /nfs/dbraw/zinc/11/45/15/603114515.db2.gz BFQYFCJPVKBOAW-UHFFFAOYSA-N -2 3 352.210 1.122 20 0 FDADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000831986996 603119963 /nfs/dbraw/zinc/11/99/63/603119963.db2.gz UPCPWDJOIYVJON-SECBINFHSA-N -2 3 364.221 1.265 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])CC(C)C ZINC000740245299 603241926 /nfs/dbraw/zinc/24/19/26/603241926.db2.gz HJNZASXRTPVOAV-ZDUSSCGKSA-N -2 3 366.871 1.733 20 0 FDADHL O=C([O-])N(CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)CC1CC1 ZINC000831821360 603466655 /nfs/dbraw/zinc/46/66/55/603466655.db2.gz SDJWGWAMEZFGHU-UHFFFAOYSA-N -2 3 361.398 1.067 20 0 FDADHL O=C([N-]OCc1cccnc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450077 607634995 /nfs/dbraw/zinc/63/49/95/607634995.db2.gz WKBXGXZTMHIJEL-INIZCTEOSA-N -2 3 365.397 1.479 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCN(C(=O)[O-])C1 ZINC000828741181 603915068 /nfs/dbraw/zinc/91/50/68/603915068.db2.gz YEVBVNTVVCXINI-JTQLQIEISA-N -2 3 374.390 1.281 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)sc1Br ZINC000830133785 604414133 /nfs/dbraw/zinc/41/41/33/604414133.db2.gz ZOQFDMKDXJNNOT-UHFFFAOYSA-N -2 3 355.235 1.460 20 0 FDADHL Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000833030635 604434006 /nfs/dbraw/zinc/43/40/06/604434006.db2.gz AGFGDBKBKWPOOA-LLVKDONJSA-N -2 3 363.457 1.762 20 0 FDADHL Cc1c([O-])ccc2c(CN3CCO[C@H]([C@H](C)NC(=O)[O-])C3)cc(=O)oc12 ZINC000829884532 604593596 /nfs/dbraw/zinc/59/35/96/604593596.db2.gz PANSFSYKIGBYJK-NHYWBVRUSA-N -2 3 362.382 1.664 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000833698784 604706826 /nfs/dbraw/zinc/70/68/26/604706826.db2.gz WEVRRKLKFRHWRQ-HIFRSBDPSA-N -2 3 350.396 1.702 20 0 FDADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3c([O-])cccc3F)cc2)[n-]1 ZINC000833776304 604819038 /nfs/dbraw/zinc/81/90/38/604819038.db2.gz SYYZGSGVZMXVIK-UHFFFAOYSA-N -3 3 371.324 1.890 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCC2)ccc1F ZINC000271884616 604884950 /nfs/dbraw/zinc/88/49/50/604884950.db2.gz AEALXCILVHKZKG-UHFFFAOYSA-N -2 3 372.418 1.640 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833426865 605056222 /nfs/dbraw/zinc/05/62/22/605056222.db2.gz OWTCFQBDPRIANJ-AWEZNQCLSA-N -2 3 357.428 1.321 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(Br)o1 ZINC000394266399 605145100 /nfs/dbraw/zinc/14/51/00/605145100.db2.gz JLDVSHQODUVIFT-SSDOTTSWSA-N -2 3 368.205 1.588 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])c2ccccc2)nc1Cl ZINC000831013907 605184020 /nfs/dbraw/zinc/18/40/20/605184020.db2.gz DYDDXEQJUGRLTN-SNVBAGLBSA-N -2 3 358.807 1.361 20 0 FDADHL O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2C1 ZINC000834197670 605331020 /nfs/dbraw/zinc/33/10/20/605331020.db2.gz XCGWQOPDGBUPBN-SNVBAGLBSA-N -2 3 371.349 1.893 20 0 FDADHL O=C([O-])N1CCO[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000831806561 605361986 /nfs/dbraw/zinc/36/19/86/605361986.db2.gz QZJFCBIVWCDDHR-SECBINFHSA-N -2 3 353.285 1.067 20 0 FDADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000834155977 605409977 /nfs/dbraw/zinc/40/99/77/605409977.db2.gz SNWBJNUEQAIQIX-UHFFFAOYSA-N -2 3 369.262 1.979 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCN(C)C(=O)[O-])c1 ZINC000833936701 605690248 /nfs/dbraw/zinc/69/02/48/605690248.db2.gz PIHZHBBGFZSDQJ-UHFFFAOYSA-N -2 3 362.342 1.281 20 0 FDADHL COc1cc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc(OC)c1[O-] ZINC000833886255 605949956 /nfs/dbraw/zinc/94/99/56/605949956.db2.gz VUUUUZAXGXDDDD-QWRGUYRKSA-N -2 3 352.387 1.918 20 0 FDADHL Cc1sc2nc(CCC(=O)[N-]OC[C@@H](C)NC(=O)[O-])[nH]c(=O)c2c1C ZINC000833936402 606070092 /nfs/dbraw/zinc/07/00/92/606070092.db2.gz LQSWBRQKPISIDJ-SSDOTTSWSA-N -2 3 368.415 1.650 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CC12CCCC2 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CCc1onc(C)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825782309 607982711 /nfs/dbraw/zinc/98/27/11/607982711.db2.gz BTTCSJBGRUMSFI-UHFFFAOYSA-N -2 3 370.341 1.805 20 0 FDADHL O=C([O-])[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826461223 608010244 /nfs/dbraw/zinc/01/02/44/608010244.db2.gz LSOVFBPCALYXJA-AWEZNQCLSA-N -2 3 373.394 1.112 20 0 FDADHL O=C([O-])[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826461223 608010245 /nfs/dbraw/zinc/01/02/45/608010245.db2.gz LSOVFBPCALYXJA-AWEZNQCLSA-N -2 3 373.394 1.112 20 0 FDADHL CCC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000825176409 608056495 /nfs/dbraw/zinc/05/64/95/608056495.db2.gz SCPMQVKVIRVWQQ-UHFFFAOYSA-N -2 3 373.385 1.382 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1c2c(nn1C)CCC2 ZINC000826280220 608057583 /nfs/dbraw/zinc/05/75/83/608057583.db2.gz SDVUHJKMVJHUEF-UHFFFAOYSA-N -2 3 359.415 1.198 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493097 608101590 /nfs/dbraw/zinc/10/15/90/608101590.db2.gz TWJPUQAVONQQSE-UHFFFAOYSA-N -2 3 370.354 1.113 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493097 608101591 /nfs/dbraw/zinc/10/15/91/608101591.db2.gz TWJPUQAVONQQSE-UHFFFAOYSA-N -2 3 370.354 1.113 20 0 FDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826217136 608144790 /nfs/dbraw/zinc/14/47/90/608144790.db2.gz ZNQSLBGQABSWLE-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826217136 608144791 /nfs/dbraw/zinc/14/47/91/608144791.db2.gz ZNQSLBGQABSWLE-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826272354 608307392 /nfs/dbraw/zinc/30/73/92/608307392.db2.gz FPHGOOWEMYWIMM-UHFFFAOYSA-N -2 3 356.371 1.247 20 0 FDADHL CC[C@@H](CSC)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825125518 608424689 /nfs/dbraw/zinc/42/46/89/608424689.db2.gz CXXWSIDJSSEFRS-QMMMGPOBSA-N -2 3 363.415 1.565 20 0 FDADHL O=C(c1ccc([O-])cc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826472986 608436318 /nfs/dbraw/zinc/43/63/18/608436318.db2.gz FUSCUDFVUFBSKI-UHFFFAOYSA-N -2 3 351.370 1.462 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826492839 608619114 /nfs/dbraw/zinc/61/91/14/608619114.db2.gz HCCDQCUZPWQGAV-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492839 608619116 /nfs/dbraw/zinc/61/91/16/608619116.db2.gz HCCDQCUZPWQGAV-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825049369 609147093 /nfs/dbraw/zinc/14/70/93/609147093.db2.gz BGPJCBXPCLPHIN-ONGXEEELSA-N -2 3 351.432 1.662 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825049369 609147095 /nfs/dbraw/zinc/14/70/95/609147095.db2.gz BGPJCBXPCLPHIN-ONGXEEELSA-N -2 3 351.432 1.662 20 0 FDADHL Cc1nc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)[n-]c(=O)c1C ZINC000826327867 609181075 /nfs/dbraw/zinc/18/10/75/609181075.db2.gz XNZGIDZOOXWWFN-UHFFFAOYSA-N -2 3 371.386 1.020 20 0 FDADHL O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461372 609384162 /nfs/dbraw/zinc/38/41/62/609384162.db2.gz RLNBYQJYZLLDTK-CQSZACIVSA-N -2 3 371.378 1.071 20 0 FDADHL O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461372 609384163 /nfs/dbraw/zinc/38/41/63/609384163.db2.gz RLNBYQJYZLLDTK-CQSZACIVSA-N -2 3 371.378 1.071 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000826255786 609457703 /nfs/dbraw/zinc/45/77/03/609457703.db2.gz KNHCRHKSSLJCRN-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000826255786 609457704 /nfs/dbraw/zinc/45/77/04/609457704.db2.gz KNHCRHKSSLJCRN-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC000026527054 670756138 /nfs/dbraw/zinc/75/61/38/670756138.db2.gz HIRNZDAETRBZQZ-UHFFFAOYSA-N -2 3 369.786 1.145 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000278559006 675153472 /nfs/dbraw/zinc/15/34/72/675153472.db2.gz BJIFJHBFLYLWFX-MRVPVSSYSA-N -3 3 371.198 1.375 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000278576175 675155607 /nfs/dbraw/zinc/15/56/07/675155607.db2.gz CXGFJXBSTPCLKY-MRVPVSSYSA-N -3 3 353.755 1.466 20 0 FDADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1C ZINC000182494766 672213095 /nfs/dbraw/zinc/21/30/95/672213095.db2.gz HCDHCIPEVSOVPJ-UHFFFAOYSA-N -2 3 357.819 1.887 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189130504 672305373 /nfs/dbraw/zinc/30/53/73/672305373.db2.gz TXJQHFNHQXQCDU-UHFFFAOYSA-N -2 3 357.823 1.075 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)OC ZINC000290717596 676226394 /nfs/dbraw/zinc/22/63/94/676226394.db2.gz UOGJXXYDUDZDHE-LURJTMIESA-N -2 3 372.262 1.912 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1 ZINC000326862335 676586206 /nfs/dbraw/zinc/58/62/06/676586206.db2.gz VBNKCSGQCCHSDK-UHFFFAOYSA-N -2 3 358.379 1.825 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOC1 ZINC000376671849 678357687 /nfs/dbraw/zinc/35/76/87/678357687.db2.gz KDSFBJWVHPXVSC-LLVKDONJSA-N -2 3 373.280 1.246 20 0 FDADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000414169093 679332837 /nfs/dbraw/zinc/33/28/37/679332837.db2.gz RJTKISZJQTWYDR-SECBINFHSA-N -2 3 374.390 1.818 20 0 FDADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443356913 682286352 /nfs/dbraw/zinc/28/63/52/682286352.db2.gz DXLBIKMZIRVAEQ-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL COc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000447280555 682542062 /nfs/dbraw/zinc/54/20/62/682542062.db2.gz MOKCMVHFDWZXTC-UHFFFAOYSA-N -2 3 360.391 1.996 20 0 FDADHL COC(=O)Cc1nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)n[n-]1 ZINC000460531016 684534005 /nfs/dbraw/zinc/53/40/05/684534005.db2.gz JNPMJTGHQMCOSH-UHFFFAOYSA-N -2 3 358.807 1.158 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481436874 686331775 /nfs/dbraw/zinc/33/17/75/686331775.db2.gz OKMPYRFXXVHCHM-UHFFFAOYSA-N -2 3 363.395 1.511 20 0 FDADHL Cc1nc(C=Cc2c(Br)cnn2C)[n-]c(=O)c1CC(=O)[O-] ZINC000504741023 688455337 /nfs/dbraw/zinc/45/53/37/688455337.db2.gz JFTTZVUTFHHOFL-ARJAWSKDSA-N -2 3 353.176 1.784 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000517247963 690049622 /nfs/dbraw/zinc/04/96/22/690049622.db2.gz CIMBMDCTIJCHBN-UHFFFAOYSA-N -2 3 355.393 1.583 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000519547299 690220088 /nfs/dbraw/zinc/22/00/88/690220088.db2.gz PVUSTTVOIRAFDS-ZDUSSCGKSA-N -2 3 358.416 1.752 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])[C@@H]1CCOC1 ZINC000656623436 777014046 /nfs/dbraw/zinc/01/40/46/777014046.db2.gz RSUYZYLOTMDUTB-BXKDBHETSA-N -2 3 363.819 1.831 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCOc2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000663418460 806982546 /nfs/dbraw/zinc/98/25/46/806982546.db2.gz HMTTUGKMUGPEPC-UHFFFAOYSA-N -2 3 369.351 1.372 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4oc(=S)[n-]c4c3)CC2)n1 ZINC000899496333 846323191 /nfs/dbraw/zinc/32/31/91/846323191.db2.gz SIHRAXCMZWYZKG-UHFFFAOYSA-N -2 3 371.422 1.883 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000906004643 852504318 /nfs/dbraw/zinc/50/43/18/852504318.db2.gz HXLVGDNTDAOMMJ-QMMMGPOBSA-N -2 3 372.237 1.683 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000906003906 852502606 /nfs/dbraw/zinc/50/26/06/852502606.db2.gz AKORDGLRZQLBMV-QMMMGPOBSA-N -2 3 361.338 1.939 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000486517411 854732494 /nfs/dbraw/zinc/73/24/94/854732494.db2.gz MBVPWEKMHLFVKG-UHFFFAOYSA-N -2 3 374.378 1.780 20 0 FDADHL CO[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000909982003 856742562 /nfs/dbraw/zinc/74/25/62/856742562.db2.gz CKLAIBIZPVZCJQ-NEPJUHHUSA-N -2 3 358.188 1.859 20 0 FDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670383817 883458961 /nfs/dbraw/zinc/45/89/61/883458961.db2.gz NLJXADCORDNDOD-SNVBAGLBSA-N -2 3 361.402 1.897 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c(OC)n1 ZINC000675752770 885576797 /nfs/dbraw/zinc/57/67/97/885576797.db2.gz WLFWUWZIZCEFFQ-UHFFFAOYSA-N -2 3 367.383 1.564 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc2ccccc2n1 ZINC000068074770 888836897 /nfs/dbraw/zinc/83/68/97/888836897.db2.gz FASSQHFSJKLCQI-UHFFFAOYSA-N -2 3 369.402 1.888 20 0 FDADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000743317821 926320493 /nfs/dbraw/zinc/32/04/93/926320493.db2.gz ZGSWONMZGXSQHJ-OAHLLOKOSA-N -2 3 361.365 1.610 20 0 FDADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000743317821 926320503 /nfs/dbraw/zinc/32/05/03/926320503.db2.gz ZGSWONMZGXSQHJ-OAHLLOKOSA-N -2 3 361.365 1.610 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCc2ccc(OC)cc2)c[n-]1 ZINC000789741103 933173852 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ZINC000274924279 181196252 /nfs/dbraw/zinc/19/62/52/181196252.db2.gz BUDXXDOJMWUMDC-UHFFFAOYSA-N -2 3 370.334 1.079 20 0 FDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000274925447 181196675 /nfs/dbraw/zinc/19/66/75/181196675.db2.gz BNEGURZWUYFQDY-QMMMGPOBSA-N -2 3 369.848 1.275 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000274935662 181199874 /nfs/dbraw/zinc/19/98/74/181199874.db2.gz DDBDVBFQHUUKRH-LBPRGKRZSA-N -2 3 358.803 1.919 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000274944104 181201996 /nfs/dbraw/zinc/20/19/96/181201996.db2.gz RLJNNXGGQQSSNF-VIFPVBQESA-N -2 3 370.210 1.922 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000274948101 181202770 /nfs/dbraw/zinc/20/27/70/181202770.db2.gz FZCZAJKWGJICAO-SCZZXKLOSA-N -2 3 359.787 1.434 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000274948107 181202913 /nfs/dbraw/zinc/20/29/13/181202913.db2.gz 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Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000275065952 181229397 /nfs/dbraw/zinc/22/93/97/181229397.db2.gz KKYNSLPOTZBCKF-CQSZACIVSA-N -2 3 355.391 1.589 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000275236290 181266356 /nfs/dbraw/zinc/26/63/56/181266356.db2.gz JUSWPIWGYSXBJE-QMMMGPOBSA-N -2 3 373.280 1.296 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000275286446 181280218 /nfs/dbraw/zinc/28/02/18/181280218.db2.gz OWNWHMDGQKCWIB-NSHDSACASA-N -2 3 361.391 1.597 20 0 FDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000275331902 181292144 /nfs/dbraw/zinc/29/21/44/181292144.db2.gz UENDGUDMEKFSJK-LURJTMIESA-N -2 3 366.239 1.784 20 0 FDADHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000534318285 540353305 /nfs/dbraw/zinc/35/33/05/540353305.db2.gz VKHHVSYAJFEVIE-UHFFFAOYSA-N -2 3 359.400 1.877 20 0 FDADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000275346283 181295866 /nfs/dbraw/zinc/29/58/66/181295866.db2.gz VSLVOTFDFPBNIL-SECBINFHSA-N -2 3 353.755 1.164 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)oc1C ZINC000536293046 540575785 /nfs/dbraw/zinc/57/57/85/540575785.db2.gz QSJNEHZCCWKUBA-UHFFFAOYSA-N -2 3 353.352 1.551 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000537195463 540699524 /nfs/dbraw/zinc/69/95/24/540699524.db2.gz ZMYYDPJGLMRSEL-UHFFFAOYSA-N -2 3 352.368 1.132 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000539399874 540955629 /nfs/dbraw/zinc/95/56/29/540955629.db2.gz HQJBRFPXHDMIIU-UHFFFAOYSA-N -2 3 371.436 1.914 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1 ZINC000540498983 541067202 /nfs/dbraw/zinc/06/72/02/541067202.db2.gz UCVKYMTYOBDWEA-UHFFFAOYSA-N -2 3 364.358 1.921 20 0 FDADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000540902758 541110742 /nfs/dbraw/zinc/11/07/42/541110742.db2.gz WDZIEYBVFLPCDE-UHFFFAOYSA-N -2 3 358.383 1.027 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CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736878985 599041898 /nfs/dbraw/zinc/04/18/98/599041898.db2.gz MSSZRNCJHLEGRR-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2ncccc21 ZINC000823583570 599235172 /nfs/dbraw/zinc/23/51/72/599235172.db2.gz USLZOOMPRIWECA-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL CN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485915739 597008996 /nfs/dbraw/zinc/00/89/96/597008996.db2.gz QSSBUFXERQKLKA-UHFFFAOYSA-N -2 3 369.374 1.501 20 0 FDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738209464 598309142 /nfs/dbraw/zinc/30/91/42/598309142.db2.gz OTRLUAZRMZVZCM-QEJZJMRPSA-N -2 3 371.397 1.490 20 0 FDADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736332344 598330951 /nfs/dbraw/zinc/33/09/51/598330951.db2.gz MHDRAVGNRBXZCB-LLVKDONJSA-N -2 3 351.432 1.744 20 0 FDADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736332344 598330950 /nfs/dbraw/zinc/33/09/50/598330950.db2.gz MHDRAVGNRBXZCB-LLVKDONJSA-N -2 3 351.432 1.744 20 0 FDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822205777 607357437 /nfs/dbraw/zinc/35/74/37/607357437.db2.gz IFJLEURULLJRMF-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822205777 607357439 /nfs/dbraw/zinc/35/74/39/607357439.db2.gz IFJLEURULLJRMF-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737370920 598491182 /nfs/dbraw/zinc/49/11/82/598491182.db2.gz YUWOEZZJWGEAMY-SANMLTNESA-N -2 3 369.450 1.908 20 0 FDADHL COc1ccccc1S([O-])=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737155066 598492800 /nfs/dbraw/zinc/49/28/00/598492800.db2.gz CVRIOTCLOZVXJO-AREMUKBSSA-N -2 3 371.422 1.299 20 0 FDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821956324 607358720 /nfs/dbraw/zinc/35/87/20/607358720.db2.gz MDYLUZANKGWSFH-SNAWJCMRSA-N -2 3 359.820 1.202 20 0 FDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821956324 607358722 /nfs/dbraw/zinc/35/87/22/607358722.db2.gz MDYLUZANKGWSFH-SNAWJCMRSA-N -2 3 359.820 1.202 20 0 FDADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736602142 598637170 /nfs/dbraw/zinc/63/71/70/598637170.db2.gz HJAIWYYSTLZEQQ-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1-c1nnn[n-]1 ZINC000820178708 607375042 /nfs/dbraw/zinc/37/50/42/607375042.db2.gz YOCVDUXHAPFVQK-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1-c1nn[n-]n1 ZINC000820178708 607375044 /nfs/dbraw/zinc/37/50/44/607375044.db2.gz YOCVDUXHAPFVQK-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820690267 599619869 /nfs/dbraw/zinc/61/98/69/599619869.db2.gz IJSVTASMOXXYKI-PWSUYJOCSA-N -2 3 365.415 1.019 20 0 FDADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820690267 599619870 /nfs/dbraw/zinc/61/98/70/599619870.db2.gz IJSVTASMOXXYKI-PWSUYJOCSA-N -2 3 365.415 1.019 20 0 FDADHL O=C([O-])c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000738470102 599722975 /nfs/dbraw/zinc/72/29/75/599722975.db2.gz HCSDMZQLVYWPTE-UHFFFAOYSA-N -2 3 368.301 1.064 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCc2ccccc21 ZINC000736607687 599769779 /nfs/dbraw/zinc/76/97/79/599769779.db2.gz ZWYVMDIVYSFBOO-LLVKDONJSA-N -2 3 350.396 1.707 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000736561824 599776771 /nfs/dbraw/zinc/77/67/71/599776771.db2.gz OJVKYKRINYWPRN-VIFPVBQESA-N -2 3 362.404 1.559 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])cc1Cl ZINC000736157125 599797871 /nfs/dbraw/zinc/79/78/71/599797871.db2.gz CLANPPVCHMYJPH-UHFFFAOYSA-N -2 3 352.771 1.579 20 0 FDADHL COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C(=O)[O-] ZINC000738004594 599807601 /nfs/dbraw/zinc/80/76/01/599807601.db2.gz ZHWDMNDZFDXWIW-UHFFFAOYSA-N -2 3 354.318 1.207 20 0 FDADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(Cc3ccc(F)cc3)n2)n[nH]1 ZINC000739899465 600182824 /nfs/dbraw/zinc/18/28/24/600182824.db2.gz OJWMRWMZOUNNQQ-UHFFFAOYSA-N -2 3 361.358 1.871 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000738735316 600254040 /nfs/dbraw/zinc/25/40/40/600254040.db2.gz AESLWMVNEOWMPF-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL CN(Cc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1)C(=O)[O-] ZINC000737478782 600331469 /nfs/dbraw/zinc/33/14/69/600331469.db2.gz KIYMTJLEBZJYCM-UHFFFAOYSA-N -2 3 357.366 1.871 20 0 FDADHL O=C([O-])c1cccc(OCCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000740232005 600368124 /nfs/dbraw/zinc/36/81/24/600368124.db2.gz NFDSMNUKQMJMAU-UHFFFAOYSA-N -2 3 355.302 1.504 20 0 FDADHL CCc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737285195 600585825 /nfs/dbraw/zinc/58/58/25/600585825.db2.gz YJRYVKHUBBCXLW-UHFFFAOYSA-N -2 3 363.395 1.868 20 0 FDADHL COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1C(=O)[O-] ZINC000831315835 600669552 /nfs/dbraw/zinc/66/95/52/600669552.db2.gz KASJWGHBEVMBPS-OQLLNIDSSA-N -2 3 366.329 1.894 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1C(=O)[O-] ZINC000831326803 600687804 /nfs/dbraw/zinc/68/78/04/600687804.db2.gz AQSYYQIIQJWILR-LLVKDONJSA-N -2 3 357.384 1.482 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823588722 607466875 /nfs/dbraw/zinc/46/68/75/607466875.db2.gz AEAPLCUNZOYIEI-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823588722 607466877 /nfs/dbraw/zinc/46/68/77/607466877.db2.gz AEAPLCUNZOYIEI-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C2CC2)no1 ZINC000826715832 600779233 /nfs/dbraw/zinc/77/92/33/600779233.db2.gz GWAUYZCJGXDYDU-GFCCVEGCSA-N -2 3 368.415 1.659 20 0 FDADHL CCC(CC)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000828849280 600792016 /nfs/dbraw/zinc/79/20/16/600792016.db2.gz VWHSAKDQYBZNQO-UHFFFAOYSA-N -2 3 351.222 1.766 20 0 FDADHL CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000736282739 600798392 /nfs/dbraw/zinc/79/83/92/600798392.db2.gz BNPXDKDGGRTYQZ-JTQLQIEISA-N -2 3 374.415 1.559 20 0 FDADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000324017373 600809594 /nfs/dbraw/zinc/80/95/94/600809594.db2.gz KYRAMPXRDGHTQE-UHFFFAOYSA-N -2 3 356.331 1.450 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000425974807 600830938 /nfs/dbraw/zinc/83/09/38/600830938.db2.gz FNIUJMUCPMIRQE-UHFFFAOYSA-N -2 3 352.343 1.353 20 0 FDADHL CCC(CC)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000828828960 600924639 /nfs/dbraw/zinc/92/46/39/600924639.db2.gz KZGQVUUDNGRDDZ-UHFFFAOYSA-N -2 3 368.864 1.439 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000833186167 601209261 /nfs/dbraw/zinc/20/92/61/601209261.db2.gz QORGBWLNORFERR-HUUCEWRRSA-N -2 3 360.410 1.568 20 0 FDADHL CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000830144126 601225632 /nfs/dbraw/zinc/22/56/32/601225632.db2.gz CUPSVPIEGZUNHE-UTSGRSJNSA-N -2 3 363.457 1.644 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000262769855 601279249 /nfs/dbraw/zinc/27/92/49/601279249.db2.gz MFABXEUIXPFFBV-UHFFFAOYSA-N -2 3 366.395 1.223 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000745997689 601387778 /nfs/dbraw/zinc/38/77/78/601387778.db2.gz IEBRAUFYTAIEGK-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC000829881488 601401479 /nfs/dbraw/zinc/40/14/79/601401479.db2.gz KOTMCAYVZXYWBK-UHFFFAOYSA-N -2 3 371.342 1.772 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)s1 ZINC000669668666 601595519 /nfs/dbraw/zinc/59/55/19/601595519.db2.gz LCNFYEGRJPVSJR-SNVBAGLBSA-N -2 3 370.246 1.341 20 0 FDADHL Cc1nc(C)c(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)c(=O)[n-]1 ZINC000832995082 601785580 /nfs/dbraw/zinc/78/55/80/601785580.db2.gz WECYBRYJRSCGLC-UHFFFAOYSA-N -2 3 350.400 1.844 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000831632574 601804931 /nfs/dbraw/zinc/80/49/31/601804931.db2.gz XHYWODDCTUEBAU-NSHDSACASA-N -2 3 359.297 1.613 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000833028865 601809637 /nfs/dbraw/zinc/80/96/37/601809637.db2.gz RFIPLXWJDOPGLL-RNCFNFMXSA-N -2 3 370.427 1.212 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)ccc1F ZINC000831029109 601816833 /nfs/dbraw/zinc/81/68/33/601816833.db2.gz GRMPKVPIHWJZIV-UHFFFAOYSA-N -2 3 372.418 1.451 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c1-c1nnn[n-]1 ZINC000826303790 607536266 /nfs/dbraw/zinc/53/62/66/607536266.db2.gz FNWDZUCSUIHOGO-UHFFFAOYSA-N -2 3 369.357 1.438 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c1-c1nn[n-]n1 ZINC000826303790 607536267 /nfs/dbraw/zinc/53/62/67/607536267.db2.gz FNWDZUCSUIHOGO-UHFFFAOYSA-N -2 3 369.357 1.438 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000827569901 601999122 /nfs/dbraw/zinc/99/91/22/601999122.db2.gz BKZIMVDAOVQWTE-JSGCOSHPSA-N -2 3 371.455 1.580 20 0 FDADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828432563 602209920 /nfs/dbraw/zinc/20/99/20/602209920.db2.gz NUOIVXHNZFYBDE-KWQFWETISA-N -2 3 360.382 1.424 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)NCC2CCN(C(=O)[O-])CC2)c([O-])c1 ZINC000740107604 602258200 /nfs/dbraw/zinc/25/82/00/602258200.db2.gz RGCMUHHTIWXYIG-UHFFFAOYSA-N -2 3 363.414 1.327 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740247444 602456058 /nfs/dbraw/zinc/45/60/58/602456058.db2.gz XNSSRNDIYQUMDM-SECBINFHSA-N -2 3 350.828 1.050 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCN(C)C(=O)[O-])cc1Cl ZINC000738557414 602548412 /nfs/dbraw/zinc/54/84/12/602548412.db2.gz DBSRYBHKAOQPCV-UHFFFAOYSA-N -2 3 367.786 1.326 20 0 FDADHL Cc1nsc([N-]C(=O)c2nnn(C3CCN(C(=O)[O-])CC3)c2C)n1 ZINC000830936626 603084214 /nfs/dbraw/zinc/08/42/14/603084214.db2.gz OKZJRBDIMFKSSX-UHFFFAOYSA-N -2 3 351.392 1.314 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739994250 603237595 /nfs/dbraw/zinc/23/75/95/603237595.db2.gz CTTMTQGJXKBKFT-GHMZBOCLSA-N -2 3 355.416 1.823 20 0 FDADHL COC(=O)Nc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1[O-] ZINC000828712883 604021566 /nfs/dbraw/zinc/02/15/66/604021566.db2.gz BOQRAQBIWIDZBX-GFCCVEGCSA-N -2 3 352.299 1.049 20 0 FDADHL O=C([O-])NC1(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC000832199565 604217836 /nfs/dbraw/zinc/21/78/36/604217836.db2.gz YFKYLWMYWGLHGS-UHFFFAOYSA-N -2 3 361.398 1.257 20 0 FDADHL COC(=O)c1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1F ZINC000831363534 604280744 /nfs/dbraw/zinc/28/07/44/604280744.db2.gz CZCVOIMNMIBOQA-UHFFFAOYSA-N -2 3 353.331 1.733 20 0 FDADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829822393 604410404 /nfs/dbraw/zinc/41/04/04/604410404.db2.gz IEMXZMKZIJREER-ZETCQYMHSA-N -2 3 351.327 1.141 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCCN2C(=O)[O-])c(C)o1 ZINC000828580176 604657876 /nfs/dbraw/zinc/65/78/76/604657876.db2.gz WNHPSEIAEJGMAG-JTQLQIEISA-N -2 3 360.388 1.185 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832993100 604667546 /nfs/dbraw/zinc/66/75/46/604667546.db2.gz JKLFFZMHZHBDHC-CQSZACIVSA-N -2 3 370.409 1.539 20 0 FDADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)[n-]1 ZINC000833776600 604797031 /nfs/dbraw/zinc/79/70/31/604797031.db2.gz XLFJCHFFYFIYCM-UHFFFAOYSA-N -3 3 371.324 1.890 20 0 FDADHL CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833489326 605027045 /nfs/dbraw/zinc/02/70/45/605027045.db2.gz HDIPSPLWJAZJTH-QMMMGPOBSA-N -2 3 365.354 1.529 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOC2)c(F)cc1Br ZINC000833780307 605083465 /nfs/dbraw/zinc/08/34/65/605083465.db2.gz RNVAFZBXCMHBGD-LURJTMIESA-N -2 3 368.180 1.354 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000833764760 605198909 /nfs/dbraw/zinc/19/89/09/605198909.db2.gz MGIURPHYYKDUSX-UHFFFAOYSA-N -2 3 358.759 1.548 20 0 FDADHL C[C@]1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO[C@H]1C1CC1 ZINC000833571970 605425946 /nfs/dbraw/zinc/42/59/46/605425946.db2.gz QSDWIIHGLPKBJV-ZFWWWQNUSA-N -2 3 361.366 1.899 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000833935403 605690055 /nfs/dbraw/zinc/69/00/55/605690055.db2.gz GOXMDEWKLNDPLK-LLVKDONJSA-N -2 3 374.353 1.423 20 0 FDADHL COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc(OC)c1[O-] ZINC000833886194 605936167 /nfs/dbraw/zinc/93/61/67/605936167.db2.gz UXHPRGAUNDBUEY-YOGCLGLASA-N -2 3 350.371 1.813 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583498 606181420 /nfs/dbraw/zinc/18/14/20/606181420.db2.gz RPRMSXQTUFDEET-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823583498 606181421 /nfs/dbraw/zinc/18/14/21/606181421.db2.gz RPRMSXQTUFDEET-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000823391846 606337941 /nfs/dbraw/zinc/33/79/41/606337941.db2.gz HGHALUFQKVNRMD-UHFFFAOYSA-N -3 3 367.368 1.133 20 0 FDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000823391812 606337960 /nfs/dbraw/zinc/33/79/60/606337960.db2.gz GHIUNRUVPUNKOV-UHFFFAOYSA-N -3 3 361.339 1.071 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(F)c1F ZINC000823583055 606338138 /nfs/dbraw/zinc/33/81/38/606338138.db2.gz FQZJYXDSRYBXKI-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823387668 606381511 /nfs/dbraw/zinc/38/15/11/606381511.db2.gz TWPBEBITQUHZIK-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823387668 606381513 /nfs/dbraw/zinc/38/15/13/606381513.db2.gz TWPBEBITQUHZIK-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821566652 606590955 /nfs/dbraw/zinc/59/09/55/606590955.db2.gz NWZBNGZHSLRHNU-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821566652 606590957 /nfs/dbraw/zinc/59/09/57/606590957.db2.gz NWZBNGZHSLRHNU-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@@H](C)C1 ZINC000822222772 606629110 /nfs/dbraw/zinc/62/91/10/606629110.db2.gz SNFWWVOMIWSPDN-BKLZJWBFSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@@H](C)C1 ZINC000822222772 606629114 /nfs/dbraw/zinc/62/91/14/606629114.db2.gz SNFWWVOMIWSPDN-BKLZJWBFSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822400092 606637309 /nfs/dbraw/zinc/63/73/09/606637309.db2.gz WHUFRLHQAKHHNN-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822400092 606637310 /nfs/dbraw/zinc/63/73/10/606637310.db2.gz WHUFRLHQAKHHNN-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822240137 606711500 /nfs/dbraw/zinc/71/15/00/606711500.db2.gz UFSNMBAGLLLEIZ-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583159 606779666 /nfs/dbraw/zinc/77/96/66/606779666.db2.gz JINJWKOSROABQL-UHFFFAOYSA-N -2 3 360.403 1.443 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1O ZINC000822328463 606866888 /nfs/dbraw/zinc/86/68/88/606866888.db2.gz QMEOZOOOSFELJQ-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1O ZINC000822328463 606866890 /nfs/dbraw/zinc/86/68/90/606866890.db2.gz QMEOZOOOSFELJQ-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL O=S(=O)([N-]CC(C1CC1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572038 606894976 /nfs/dbraw/zinc/89/49/76/606894976.db2.gz AKOFRNVFXILRNI-UHFFFAOYSA-N -2 3 369.397 1.859 20 0 FDADHL CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821678974 606895447 /nfs/dbraw/zinc/89/54/47/606895447.db2.gz VEYFVYNAYIRVEH-MNOVXSKESA-N -2 3 373.385 1.237 20 0 FDADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000819845210 607025306 /nfs/dbraw/zinc/02/53/06/607025306.db2.gz REJMGHAFDOKXDN-UHFFFAOYSA-N -2 3 350.385 1.327 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc(C)c1F ZINC000822212039 607026443 /nfs/dbraw/zinc/02/64/43/607026443.db2.gz ZSUZPYUQAFEMGZ-UHFFFAOYSA-N -2 3 354.392 1.880 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000820541886 607102641 /nfs/dbraw/zinc/10/26/41/607102641.db2.gz JNUBHTQKRFBRGA-XHDPSFHLSA-N -2 3 367.365 1.576 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000820541886 607102642 /nfs/dbraw/zinc/10/26/42/607102642.db2.gz JNUBHTQKRFBRGA-XHDPSFHLSA-N -2 3 367.365 1.576 20 0 FDADHL CCC[C@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC000821008835 607103214 /nfs/dbraw/zinc/10/32/14/607103214.db2.gz MDOJNIVYQPLHCM-INIZCTEOSA-N -2 3 363.374 1.014 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821910782 607155651 /nfs/dbraw/zinc/15/56/51/607155651.db2.gz GXWMEVUSZVOBIY-UHFFFAOYSA-N -2 3 355.376 1.877 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821910782 607155653 /nfs/dbraw/zinc/15/56/53/607155653.db2.gz GXWMEVUSZVOBIY-UHFFFAOYSA-N -2 3 355.376 1.877 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000822907529 607185758 /nfs/dbraw/zinc/18/57/58/607185758.db2.gz QZIZWLFIPIKNOP-UHFFFAOYSA-N -2 3 351.779 1.298 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000826278778 607846347 /nfs/dbraw/zinc/84/63/47/607846347.db2.gz SIZCMVVGUNSQGM-UHFFFAOYSA-N -2 3 365.806 1.607 20 0 FDADHL COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826221517 608017144 /nfs/dbraw/zinc/01/71/44/608017144.db2.gz JHUQASNCVBYDMC-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826221517 608017145 /nfs/dbraw/zinc/01/71/45/608017145.db2.gz JHUQASNCVBYDMC-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL O=C(c1ccc(F)cc1[O-])N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473191 608080612 /nfs/dbraw/zinc/08/06/12/608080612.db2.gz OCLRORLTOQDXFV-INIZCTEOSA-N -2 3 369.356 1.925 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(F)c1 ZINC000826492582 608108049 /nfs/dbraw/zinc/10/80/49/608108049.db2.gz SEJVHNIJZBBONH-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826339563 608141330 /nfs/dbraw/zinc/14/13/30/608141330.db2.gz JTLZFSMEFXBDRI-UHFFFAOYSA-N -2 3 374.382 1.159 20 0 FDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826339563 608141331 /nfs/dbraw/zinc/14/13/31/608141331.db2.gz JTLZFSMEFXBDRI-UHFFFAOYSA-N -2 3 374.382 1.159 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000826279274 608142970 /nfs/dbraw/zinc/14/29/70/608142970.db2.gz LLDDRPYPJDXFIW-GFCCVEGCSA-N -2 3 371.422 1.784 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000826279274 608142971 /nfs/dbraw/zinc/14/29/71/608142971.db2.gz LLDDRPYPJDXFIW-GFCCVEGCSA-N -2 3 371.422 1.784 20 0 FDADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824371765 608179796 /nfs/dbraw/zinc/17/97/96/608179796.db2.gz RLLYYMQYEIAWQW-UHFFFAOYSA-N -2 3 360.399 1.368 20 0 FDADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824371765 608179797 /nfs/dbraw/zinc/17/97/97/608179797.db2.gz RLLYYMQYEIAWQW-UHFFFAOYSA-N -2 3 360.399 1.368 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825225351 608180225 /nfs/dbraw/zinc/18/02/25/608180225.db2.gz SCNBFTVLTKVPHS-CYBMUJFWSA-N -2 3 365.459 1.885 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825225351 608180227 /nfs/dbraw/zinc/18/02/27/608180227.db2.gz SCNBFTVLTKVPHS-CYBMUJFWSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)=C1CCCC1 ZINC000824047083 608246698 /nfs/dbraw/zinc/24/66/98/608246698.db2.gz WXFIAKSEZUCKPS-UHFFFAOYSA-N -2 3 361.427 1.703 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)=C1CCCC1 ZINC000824047083 608246700 /nfs/dbraw/zinc/24/67/00/608246700.db2.gz WXFIAKSEZUCKPS-UHFFFAOYSA-N -2 3 361.427 1.703 20 0 FDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000824333279 608304769 /nfs/dbraw/zinc/30/47/69/608304769.db2.gz HSNZCHOHRXAMFU-UHFFFAOYSA-N -2 3 366.428 1.911 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(Cl)cc1F ZINC000826272388 608307286 /nfs/dbraw/zinc/30/72/86/608307286.db2.gz GUCBXUGONKONEV-UHFFFAOYSA-N -2 3 357.758 1.492 20 0 FDADHL COCc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000826164690 608415191 /nfs/dbraw/zinc/41/51/91/608415191.db2.gz LAQAZGKCNIIISI-UHFFFAOYSA-N -2 3 352.401 1.270 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825066830 608473139 /nfs/dbraw/zinc/47/31/39/608473139.db2.gz FOQWIZFDRKZGQJ-JTQLQIEISA-N -2 3 353.404 1.049 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825066830 608473141 /nfs/dbraw/zinc/47/31/41/608473141.db2.gz FOQWIZFDRKZGQJ-JTQLQIEISA-N -2 3 353.404 1.049 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825052508 609142521 /nfs/dbraw/zinc/14/25/21/609142521.db2.gz XWBSMBHZQNMELB-QWRGUYRKSA-N -2 3 351.432 1.495 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825052508 609142522 /nfs/dbraw/zinc/14/25/22/609142522.db2.gz XWBSMBHZQNMELB-QWRGUYRKSA-N -2 3 351.432 1.495 20 0 FDADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824796361 609398359 /nfs/dbraw/zinc/39/83/59/609398359.db2.gz OXVPQJGURXBHHX-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824796361 609398362 /nfs/dbraw/zinc/39/83/62/609398362.db2.gz OXVPQJGURXBHHX-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276952755 674817310 /nfs/dbraw/zinc/81/73/10/674817310.db2.gz ULTGMDKCBCPCEH-SSDLBLMSSA-N -2 3 372.624 1.215 20 0 FDADHL Cc1nnc([N-]C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)s1 ZINC000105596512 671602495 /nfs/dbraw/zinc/60/24/95/671602495.db2.gz IJXXJHFABNFAHA-UHFFFAOYSA-N -2 3 374.394 1.818 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c(Br)o1 ZINC000161941097 672013911 /nfs/dbraw/zinc/01/39/11/672013911.db2.gz YGBFXKLFOGETMG-QYNIQEEDSA-N -2 3 366.189 1.339 20 0 FDADHL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c1 ZINC000184895581 672251444 /nfs/dbraw/zinc/25/14/44/672251444.db2.gz VPHQHNARTMBKAE-UHFFFAOYSA-N -2 3 360.382 1.568 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(Br)o1 ZINC000228550670 672415092 /nfs/dbraw/zinc/41/50/92/672415092.db2.gz FFNWUHHUCLLTHE-LURJTMIESA-N -2 3 370.246 1.772 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)no1 ZINC000326187798 676580950 /nfs/dbraw/zinc/58/09/50/676580950.db2.gz AHKQFBKDJNZISK-UHFFFAOYSA-N -2 3 353.400 1.409 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC2(CCC2)C1 ZINC000364412644 677014846 /nfs/dbraw/zinc/01/48/46/677014846.db2.gz FAYDUTKBZDOWOX-RYUDHWBXSA-N -2 3 358.416 1.372 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n(C)n1 ZINC000433406313 681186626 /nfs/dbraw/zinc/18/66/26/681186626.db2.gz NREUCGZDJYMUGW-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433520639 681199021 /nfs/dbraw/zinc/19/90/21/681199021.db2.gz PVHZZPWWXAWPHK-UHFFFAOYSA-N -3 3 369.326 1.817 20 0 FDADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2[O-])CC1 ZINC000436477293 681696474 /nfs/dbraw/zinc/69/64/74/681696474.db2.gz LTNDHLYPVJMHPK-UHFFFAOYSA-N -2 3 371.411 1.796 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436621605 681710437 /nfs/dbraw/zinc/71/04/37/681710437.db2.gz YDCBKJPZRZTOAJ-UHFFFAOYSA-N -2 3 356.787 1.912 20 0 FDADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000443407032 682293444 /nfs/dbraw/zinc/29/34/44/682293444.db2.gz GVDCYOKCYVZIDT-UHFFFAOYSA-N -2 3 360.399 1.235 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C(=O)[O-])c2)cc1 ZINC000462292158 684626697 /nfs/dbraw/zinc/62/66/97/684626697.db2.gz OVVRTJVXFJIMPG-UHFFFAOYSA-N -2 3 364.379 1.197 20 0 FDADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000479561686 686033129 /nfs/dbraw/zinc/03/31/29/686033129.db2.gz YRXYUZMTHLMBNV-UHFFFAOYSA-N -2 3 364.354 1.827 20 0 FDADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1F ZINC000489335468 687092483 /nfs/dbraw/zinc/09/24/83/687092483.db2.gz SXKPYLZQLSCTFD-UHFFFAOYSA-N -2 3 368.342 1.432 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1cccc2c1OCCCO2 ZINC000521619567 694415583 /nfs/dbraw/zinc/41/55/83/694415583.db2.gz BLUGQFLWLAFCPC-UHFFFAOYSA-N -2 3 370.408 1.481 20 0 FDADHL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000526998105 694648809 /nfs/dbraw/zinc/64/88/09/694648809.db2.gz OTVCTABWZJFNQO-UHFFFAOYSA-N -2 3 360.395 1.360 20 0 FDADHL O=C(c1ncccc1[O-])N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000275134694 771358833 /nfs/dbraw/zinc/35/88/33/771358833.db2.gz KKZWHQBTTKANPO-QWHCGFSZSA-N -2 3 368.393 1.265 20 0 FDADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-])C1CC1 ZINC000656167757 773970066 /nfs/dbraw/zinc/97/00/66/773970066.db2.gz BHDQPUYYYHMBBK-IUCAKERBSA-N -2 3 353.849 1.948 20 0 FDADHL CCn1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000656635457 777042242 /nfs/dbraw/zinc/04/22/42/777042242.db2.gz YZFXKLBVLSUESZ-UHFFFAOYSA-N -2 3 362.408 1.214 20 0 FDADHL CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[nH]1 ZINC000277103049 780746655 /nfs/dbraw/zinc/74/66/55/780746655.db2.gz QRQYGTOJXHCQAQ-IONNQARKSA-N -2 3 371.401 1.867 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000685915600 787811167 /nfs/dbraw/zinc/81/11/67/787811167.db2.gz LYVAUEAMRBHITD-UHFFFAOYSA-N -2 3 374.415 1.543 20 0 FDADHL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000378257725 793806412 /nfs/dbraw/zinc/80/64/12/793806412.db2.gz DCDFNKQTUXBPFL-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL CCOC(=O)Cn1nc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1C ZINC000504728865 815322533 /nfs/dbraw/zinc/32/25/33/815322533.db2.gz HIISGWOALBOTJA-SREVYHEPSA-N -2 3 374.397 1.665 20 0 FDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4nn[n-]c4=O)cc3)ccc2O1 ZINC000443407963 821515498 /nfs/dbraw/zinc/51/54/98/821515498.db2.gz RLWRLLRUPTWYEJ-SNVBAGLBSA-N -2 3 373.394 1.492 20 0 FDADHL Cc1ccc(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c([O-])c1 ZINC000449118150 829377180 /nfs/dbraw/zinc/37/71/80/829377180.db2.gz RHSBKRRFGZQRSO-NVXWUHKLSA-N -2 3 368.389 1.857 20 0 FDADHL CSC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000909160183 856218682 /nfs/dbraw/zinc/21/86/82/856218682.db2.gz WQBZBWDXLJRWOP-SECBINFHSA-N 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ZINC000771574272 930723879 /nfs/dbraw/zinc/72/38/79/930723879.db2.gz SKUYFFTXGVDRSK-UHFFFAOYSA-N -2 3 362.139 1.686 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c(Cl)cc1Cl ZINC000788448178 932700729 /nfs/dbraw/zinc/70/07/29/932700729.db2.gz QNFXFLBSTLAJAL-NSCUHMNNSA-N -2 3 368.194 1.699 20 0 FDADHL C/C=C(\CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000789398392 933028758 /nfs/dbraw/zinc/02/87/58/933028758.db2.gz AIYHDGUCZYWAOM-RUDMXATFSA-N -2 3 364.420 1.358 20 0 FDADHL CCc1cccc(C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)c1[O-] ZINC000807384526 940343204 /nfs/dbraw/zinc/34/32/04/940343204.db2.gz BBYMARFHYSFTSE-UHFFFAOYSA-N -2 3 350.396 1.821 20 0 FDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000809224124 940786784 /nfs/dbraw/zinc/78/67/84/940786784.db2.gz LNGXPSIKCRWGKP-BXKDBHETSA-N -2 3 361.391 1.780 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OCc1cccnc1 ZINC000747579966 940921478 /nfs/dbraw/zinc/92/14/78/940921478.db2.gz MREMUSVLFCWMPO-UHFFFAOYSA-N -2 3 361.832 1.323 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c(F)cc1F ZINC001195247849 970792189 /nfs/dbraw/zinc/79/21/89/970792189.db2.gz YQAVILSOPWTKGK-UHFFFAOYSA-N -2 3 357.334 1.634 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)[N-]OC1CCC1 ZINC000812795783 941276323 /nfs/dbraw/zinc/27/63/23/941276323.db2.gz JTZKZLDFMSGVPG-UHFFFAOYSA-N -2 3 369.262 1.389 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3ncccn3)CC2)c(F)cc1F ZINC001195260330 970799558 /nfs/dbraw/zinc/79/95/58/970799558.db2.gz WQPUJUHPROENLH-UHFFFAOYSA-N -2 3 355.322 1.421 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CN(c3ccccn3)C2)c(F)cc1F ZINC001195260329 970799615 /nfs/dbraw/zinc/79/96/15/970799615.db2.gz WQBCDEPABXGCLN-UHFFFAOYSA-N -2 3 369.349 1.225 20 0 FDADHL O=C(Nc1cncc([O-])c1)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195334414 970905119 /nfs/dbraw/zinc/90/51/19/970905119.db2.gz SQLLURBSEGZKKT-UHFFFAOYSA-N -2 3 366.248 1.843 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc1F ZINC000823836621 946043209 /nfs/dbraw/zinc/04/32/09/946043209.db2.gz JECYWCJTKWQHKJ-GFCCVEGCSA-N -2 3 374.434 1.743 20 0 FDADHL C[S@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844894285 948481031 /nfs/dbraw/zinc/48/10/31/948481031.db2.gz KUVSZUZOHZOGND-FQEVSTJZSA-N -2 3 374.267 1.739 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c(F)cc1F ZINC000844900025 948488362 /nfs/dbraw/zinc/48/83/62/948488362.db2.gz ZHSORAFZLFLTDX-ZANVPECISA-N -2 3 361.366 1.899 20 0 FDADHL CC(=O)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1[O-] ZINC001602772773 971507150 /nfs/dbraw/zinc/50/71/50/971507150.db2.gz ZFGSRWXAZCXWDS-ZIAGYGMSSA-N -2 3 371.393 1.659 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000846003985 950318308 /nfs/dbraw/zinc/31/83/08/950318308.db2.gz XAYVJCCFTVMADE-UHFFFAOYSA-N -2 3 372.424 1.034 20 0 FDADHL CC1(C)C([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC001575623097 950648855 /nfs/dbraw/zinc/64/88/55/950648855.db2.gz HYBGIHIDGXHUPT-UHFFFAOYSA-N -2 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/nfs/dbraw/zinc/80/74/35/552807435.db2.gz GBYMCYCQKIZHNL-LLVKDONJSA-N -2 3 361.402 1.908 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4ncsc4c3)ccc21 ZINC000597681735 552821575 /nfs/dbraw/zinc/82/15/75/552821575.db2.gz FENZYEKLCQDCSV-UHFFFAOYSA-N -2 3 359.388 1.981 20 0 FDADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599617980 553104696 /nfs/dbraw/zinc/10/46/96/553104696.db2.gz ORAGOWLWUJWVCK-IUCAKERBSA-N -2 3 354.384 1.042 20 0 FDADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599617977 553104957 /nfs/dbraw/zinc/10/49/57/553104957.db2.gz ORAGOWLWUJWVCK-DTWKUNHWSA-N -2 3 354.384 1.042 20 0 FDADHL O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1c([O-])cccc1F ZINC000605434843 553988952 /nfs/dbraw/zinc/98/89/52/553988952.db2.gz JPRNNDCCTYYTOK-UHFFFAOYSA-N -2 3 355.325 1.741 20 0 FDADHL CC(C)Cc1nc(=NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)s[n-]1 ZINC000618348082 555620704 /nfs/dbraw/zinc/62/07/04/555620704.db2.gz AQHTZUKDXFEYLV-KRWDZBQOSA-N -2 3 373.438 1.465 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N=c2nc(CC(C)C)[n-]s2)c([O-])c1 ZINC000618348524 555621042 /nfs/dbraw/zinc/62/10/42/555621042.db2.gz QNEZASIYHKMBRH-UHFFFAOYSA-N -2 3 362.455 1.931 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)c[n-]1 ZINC000618906385 555693940 /nfs/dbraw/zinc/69/39/40/555693940.db2.gz HNPDWYIZUNLDKT-UHFFFAOYSA-N -2 3 369.447 1.857 20 0 FDADHL O=c1[n-]c(SCc2nnn[n-]2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000621111036 556032021 /nfs/dbraw/zinc/03/20/21/556032021.db2.gz NMERNTYRGQMIBT-UHFFFAOYSA-N -2 3 360.790 1.980 20 0 FDADHL O=c1[n-]c(SCc2nn[n-]n2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000621111036 556032022 /nfs/dbraw/zinc/03/20/22/556032022.db2.gz NMERNTYRGQMIBT-UHFFFAOYSA-N -2 3 360.790 1.980 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(F)c1 ZINC000621302334 556064925 /nfs/dbraw/zinc/06/49/25/556064925.db2.gz AGXXYXSAWQMWKB-MRVPVSSYSA-N -2 3 372.390 1.521 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2)C1CC1 ZINC000629285480 557751679 /nfs/dbraw/zinc/75/16/79/557751679.db2.gz VLOFXFGCSUSMHV-OAHLLOKOSA-N -2 3 371.411 1.713 20 0 FDADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)CO1 ZINC000629292206 557754165 /nfs/dbraw/zinc/75/41/65/557754165.db2.gz DCYUCHPTMRYYPJ-VIFPVBQESA-N -2 3 357.384 1.465 20 0 FDADHL COc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCOC2)C(=O)[O-])c1F ZINC000629338914 557768733 /nfs/dbraw/zinc/76/87/33/557768733.db2.gz BXPXUZQJQADOQB-MNOVXSKESA-N -2 3 361.391 1.383 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1C[C@@H](OC)C1 ZINC000629346833 557771472 /nfs/dbraw/zinc/77/14/72/557771472.db2.gz WZAXLYINSXCFCU-WAAGHKOSSA-N -2 3 363.819 1.750 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376821 557775386 /nfs/dbraw/zinc/77/53/86/557775386.db2.gz KFIUGZGHIDJEID-CQSZACIVSA-N -2 3 366.443 1.480 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000630234800 557890461 /nfs/dbraw/zinc/89/04/61/557890461.db2.gz FZYPMGBYPRRXAT-AWEZNQCLSA-N -2 3 364.379 1.475 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000630424999 557908593 /nfs/dbraw/zinc/90/85/93/557908593.db2.gz YUFQUDCJFMACJT-KOLCDFICSA-N -2 3 354.211 1.904 20 0 FDADHL FC(F)(F)COc1ccc(=NCc2nc(C3CCOCC3)n[n-]2)[n-]n1 ZINC000631460186 558010118 /nfs/dbraw/zinc/01/01/18/558010118.db2.gz NMBYWTVQBHBQEK-UHFFFAOYSA-N -2 3 358.324 1.464 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000647745550 568347514 /nfs/dbraw/zinc/34/75/14/568347514.db2.gz GTLKWYGDADIJQJ-UHFFFAOYSA-N -2 3 366.399 1.372 20 0 FDADHL COc1ccc(-c2nc(SCCCO)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737057858 598861022 /nfs/dbraw/zinc/86/10/22/598861022.db2.gz UIRUQJNNNOTNJR-UHFFFAOYSA-N -2 3 360.399 1.512 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cccc1-c1nnn[n-]1 ZINC000822129143 607255285 /nfs/dbraw/zinc/25/52/85/607255285.db2.gz ICNJLDMFLCVTLW-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cccc1-c1nn[n-]n1 ZINC000822129143 607255286 /nfs/dbraw/zinc/25/52/86/607255286.db2.gz ICNJLDMFLCVTLW-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cnc(Cl)n2C)cccc1-c1nn[n-]n1 ZINC000822129232 607255409 /nfs/dbraw/zinc/25/54/09/607255409.db2.gz JSXGTVHWESGHCC-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1 ZINC000737299062 598975308 /nfs/dbraw/zinc/97/53/08/598975308.db2.gz PHZDXCQAJWQTHP-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1 ZINC000737299062 598975310 /nfs/dbraw/zinc/97/53/10/598975310.db2.gz PHZDXCQAJWQTHP-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737251181 598975662 /nfs/dbraw/zinc/97/56/62/598975662.db2.gz BJVCQQHYIUCHFD-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737251181 598975664 /nfs/dbraw/zinc/97/56/64/598975664.db2.gz BJVCQQHYIUCHFD-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1C ZINC000737369613 599025390 /nfs/dbraw/zinc/02/53/90/599025390.db2.gz JPVCHLAQYUMYMR-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1C ZINC000737369613 599025391 /nfs/dbraw/zinc/02/53/91/599025391.db2.gz JPVCHLAQYUMYMR-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000735961889 599097376 /nfs/dbraw/zinc/09/73/76/599097376.db2.gz VUQVQBBCPMQQLG-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000735961889 599097381 /nfs/dbraw/zinc/09/73/81/599097381.db2.gz VUQVQBBCPMQQLG-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000737063421 599098076 /nfs/dbraw/zinc/09/80/76/599098076.db2.gz YMPCFWUYPGYGDL-UHFFFAOYSA-N -2 3 363.403 1.454 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2cnccc21 ZINC000823583063 599234320 /nfs/dbraw/zinc/23/43/20/599234320.db2.gz GIRLCPYWTCCHIY-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=C([O-])CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485540577 597277779 /nfs/dbraw/zinc/27/77/79/597277779.db2.gz FESLINKPCIZAFG-UHFFFAOYSA-N -2 3 369.374 1.549 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000760116104 597372957 /nfs/dbraw/zinc/37/29/57/597372957.db2.gz AIDCAGBCRHMUEN-UHFFFAOYSA-N -2 3 364.807 1.443 20 0 FDADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000520627172 598282534 /nfs/dbraw/zinc/28/25/34/598282534.db2.gz FSXOFOWDSXJPAE-UHFFFAOYSA-N -3 3 365.396 1.736 20 0 FDADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736626509 598330237 /nfs/dbraw/zinc/33/02/37/598330237.db2.gz QUNFYPYAMOPQIB-UHFFFAOYSA-N -2 3 360.399 1.599 20 0 FDADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736626509 598330239 /nfs/dbraw/zinc/33/02/39/598330239.db2.gz QUNFYPYAMOPQIB-UHFFFAOYSA-N -2 3 360.399 1.599 20 0 FDADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736605032 598333003 /nfs/dbraw/zinc/33/30/03/598333003.db2.gz BTLLKTUPXYKCFA-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736605032 598333004 /nfs/dbraw/zinc/33/30/04/598333004.db2.gz BTLLKTUPXYKCFA-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735963221 598451543 /nfs/dbraw/zinc/45/15/43/598451543.db2.gz BXYWNHAGOJGVMY-SNVBAGLBSA-N -2 3 359.415 1.835 20 0 FDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735963221 598451546 /nfs/dbraw/zinc/45/15/46/598451546.db2.gz BXYWNHAGOJGVMY-SNVBAGLBSA-N -2 3 359.415 1.835 20 0 FDADHL COc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737114531 598491104 /nfs/dbraw/zinc/49/11/04/598491104.db2.gz GSVJWISIOQEGAP-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL Cc1ccc(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000737362760 598628377 /nfs/dbraw/zinc/62/83/77/598628377.db2.gz UYABRZYOYKSFOG-UHFFFAOYSA-N -2 3 373.394 1.815 20 0 FDADHL Cc1ccc(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000737362760 598628378 /nfs/dbraw/zinc/62/83/78/598628378.db2.gz UYABRZYOYKSFOG-UHFFFAOYSA-N -2 3 373.394 1.815 20 0 FDADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735603688 598784549 /nfs/dbraw/zinc/78/45/49/598784549.db2.gz NWRAHJBYYSSPJW-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735603688 598784551 /nfs/dbraw/zinc/78/45/51/598784551.db2.gz NWRAHJBYYSSPJW-UHFFFAOYSA-N -2 3 351.432 1.888 20 0 FDADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000821148704 599306299 /nfs/dbraw/zinc/30/62/99/599306299.db2.gz OPIPRMZFLWGLPK-UHFFFAOYSA-N -2 3 351.367 1.413 20 0 FDADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000821148704 599306302 /nfs/dbraw/zinc/30/63/02/599306302.db2.gz OPIPRMZFLWGLPK-UHFFFAOYSA-N -2 3 351.367 1.413 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c[n-]1 ZINC000821668759 599342855 /nfs/dbraw/zinc/34/28/55/599342855.db2.gz HMYHFBAIETUPDV-UHFFFAOYSA-N -2 3 363.355 1.058 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c[n-]1 ZINC000821668759 599342857 /nfs/dbraw/zinc/34/28/57/599342857.db2.gz HMYHFBAIETUPDV-UHFFFAOYSA-N -2 3 363.355 1.058 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1Cc2ccccc21 ZINC000823285172 599620316 /nfs/dbraw/zinc/62/03/16/599620316.db2.gz NRUDOCCFMUXQFG-HNNXBMFYSA-N -2 3 369.406 1.153 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1Cc2ccccc21 ZINC000823285172 599620317 /nfs/dbraw/zinc/62/03/17/599620317.db2.gz NRUDOCCFMUXQFG-HNNXBMFYSA-N -2 3 369.406 1.153 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690146 599621679 /nfs/dbraw/zinc/62/16/79/599621679.db2.gz HBCYLNXMGJFPGQ-SMDDNHRTSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690146 599621680 /nfs/dbraw/zinc/62/16/80/599621680.db2.gz HBCYLNXMGJFPGQ-SMDDNHRTSA-N -2 3 363.443 1.639 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)o1 ZINC000390450472 599770922 /nfs/dbraw/zinc/77/09/22/599770922.db2.gz WMTGDIVNFGZLHQ-UHFFFAOYSA-N -2 3 361.379 1.701 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H](C)C(=O)[O-])cc1OC ZINC000653537302 599787221 /nfs/dbraw/zinc/78/72/21/599787221.db2.gz TUWCHZKYLPDQQY-VIFPVBQESA-N -2 3 359.404 1.299 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000826292672 607398470 /nfs/dbraw/zinc/39/84/70/607398470.db2.gz GQWDEMMQOJQLKM-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000826292672 607398471 /nfs/dbraw/zinc/39/84/71/607398471.db2.gz GQWDEMMQOJQLKM-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000645960590 599938962 /nfs/dbraw/zinc/93/89/62/599938962.db2.gz YYKVFSYORIZRAE-SECBINFHSA-N -2 3 355.372 1.271 20 0 FDADHL Cc1sc(NC(=O)COC(=O)c2cncc([O-])c2)c(C(=O)[O-])c1C ZINC000738397242 600178538 /nfs/dbraw/zinc/17/85/38/600178538.db2.gz DJDJLTIAVRYJQG-UHFFFAOYSA-N -2 3 350.352 1.959 20 0 FDADHL O=C([O-])Cc1nc([N-]C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n[nH]1 ZINC000739899585 600179467 /nfs/dbraw/zinc/17/94/67/600179467.db2.gz SSEHFJDPRWVXDK-UHFFFAOYSA-N -2 3 373.350 1.536 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)o1 ZINC000740175701 600450920 /nfs/dbraw/zinc/45/09/20/600450920.db2.gz VNVKCHHMFQERBM-GFCCVEGCSA-N -2 3 364.379 1.452 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1F ZINC000736478364 600593517 /nfs/dbraw/zinc/59/35/17/600593517.db2.gz YXZHIDDXTUXYTP-SNVBAGLBSA-N -2 3 360.407 1.305 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000327365603 600775425 /nfs/dbraw/zinc/77/54/25/600775425.db2.gz QAPZQNKEPSZYBR-GFCCVEGCSA-N -2 3 368.342 1.881 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1O ZINC000005234575 600830540 /nfs/dbraw/zinc/83/05/40/600830540.db2.gz WDHZJEBOJAWMMD-UHFFFAOYSA-N -3 3 353.308 1.295 20 0 FDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833090251 600979365 /nfs/dbraw/zinc/97/93/65/600979365.db2.gz VFRAAGKQIHNVGI-QMMMGPOBSA-N -2 3 352.734 1.069 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cnc2n1 ZINC000832961846 601122317 /nfs/dbraw/zinc/12/23/17/601122317.db2.gz LWDUCFWQVDKGPH-LBPRGKRZSA-N -2 3 358.398 1.265 20 0 FDADHL CCCNC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC000829507684 601219761 /nfs/dbraw/zinc/21/97/61/601219761.db2.gz FXWXCNJHNKQXFZ-UHFFFAOYSA-N -2 3 372.443 1.794 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1F ZINC000832304641 601220887 /nfs/dbraw/zinc/22/08/87/601220887.db2.gz SKWUOELCMXSOBX-UHFFFAOYSA-N -2 3 357.359 1.955 20 0 FDADHL CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000830144121 601225502 /nfs/dbraw/zinc/22/55/02/601225502.db2.gz CUPSVPIEGZUNHE-AUWXTCHYSA-N -2 3 363.457 1.644 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c1F ZINC000326603792 601232437 /nfs/dbraw/zinc/23/24/37/601232437.db2.gz JFTLMOMPGIKALU-UHFFFAOYSA-N -2 3 371.317 1.870 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832993324 601758892 /nfs/dbraw/zinc/75/88/92/601758892.db2.gz SANQZRNYLDJTLR-XHDPSFHLSA-N -2 3 370.409 1.252 20 0 FDADHL COc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000826195628 607527700 /nfs/dbraw/zinc/52/77/00/607527700.db2.gz AKFIRNSZVXHLAO-NWDGAFQWSA-N -2 3 357.370 1.159 20 0 FDADHL COc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000826195628 607527701 /nfs/dbraw/zinc/52/77/01/607527701.db2.gz AKFIRNSZVXHLAO-NWDGAFQWSA-N -2 3 357.370 1.159 20 0 FDADHL COC[C@@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000831631207 601805170 /nfs/dbraw/zinc/80/51/70/601805170.db2.gz BHDDVBUGUKKRLY-SNVBAGLBSA-N -2 3 372.262 1.587 20 0 FDADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000832622757 601812238 /nfs/dbraw/zinc/81/22/38/601812238.db2.gz GSNMGBOUZWOWHI-NSHDSACASA-N -2 3 366.395 1.544 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000832879771 601825949 /nfs/dbraw/zinc/82/59/49/601825949.db2.gz BFIPSIPBJTXSDK-UHFFFAOYSA-N -2 3 356.791 1.750 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1C(N)=O ZINC000826299476 607533967 /nfs/dbraw/zinc/53/39/67/607533967.db2.gz GSOIPUVOOYYNEI-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C(N)=O ZINC000826299476 607533969 /nfs/dbraw/zinc/53/39/69/607533969.db2.gz GSOIPUVOOYYNEI-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000739793066 601988366 /nfs/dbraw/zinc/98/83/66/601988366.db2.gz SANKINROGWYUOG-VIFPVBQESA-N -2 3 362.429 1.203 20 0 FDADHL CCCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329698 602149046 /nfs/dbraw/zinc/14/90/46/602149046.db2.gz AMMBSTOYEALHEW-UHFFFAOYSA-N -2 3 370.221 1.835 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(=O)n(C)c1 ZINC000765142201 602204875 /nfs/dbraw/zinc/20/48/75/602204875.db2.gz HHOKUPHJPMMRGE-UHFFFAOYSA-N -2 3 374.777 1.985 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c1F ZINC000324922399 602208198 /nfs/dbraw/zinc/20/81/98/602208198.db2.gz VABZANIWNXFAJQ-NSHDSACASA-N -2 3 357.334 1.675 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c1F ZINC000833295329 602225183 /nfs/dbraw/zinc/22/51/83/602225183.db2.gz QHIYTXIQFQHJGS-SECBINFHSA-N -2 3 357.338 1.742 20 0 FDADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000738753585 602317152 /nfs/dbraw/zinc/31/71/52/602317152.db2.gz ZVNSDDCRJALGRI-UHFFFAOYSA-N -2 3 369.212 1.913 20 0 FDADHL CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000739254935 602565387 /nfs/dbraw/zinc/56/53/87/602565387.db2.gz WSEGAFRIFHIZQN-UHFFFAOYSA-N -2 3 364.445 1.639 20 0 FDADHL O=C([O-])N1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740413029 602607944 /nfs/dbraw/zinc/60/79/44/602607944.db2.gz RSVSZPXDXIQBFF-GXTWGEPZSA-N -2 3 361.398 1.255 20 0 FDADHL Cc1nn(-c2ccc(-c3nnn[n-]3)cc2)c(=NC(=O)C2=C(C)CCC2)[n-]1 ZINC000824853134 607587437 /nfs/dbraw/zinc/58/74/37/607587437.db2.gz WOJKSJCWKMHGIS-UHFFFAOYSA-N -2 3 350.386 1.617 20 0 FDADHL Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(=NC(=O)C2=C(C)CCC2)[n-]1 ZINC000824853134 607587439 /nfs/dbraw/zinc/58/74/39/607587439.db2.gz WOJKSJCWKMHGIS-UHFFFAOYSA-N -2 3 350.386 1.617 20 0 FDADHL CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000738779428 602812073 /nfs/dbraw/zinc/81/20/73/602812073.db2.gz URIGJHFQYXZVMR-ZIAGYGMSSA-N -2 3 363.414 1.405 20 0 FDADHL C[C@H]1CN(CCCNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000739185342 602844253 /nfs/dbraw/zinc/84/42/53/602844253.db2.gz ZUCQYNMSXGMLEZ-RYUDHWBXSA-N -2 3 351.403 1.711 20 0 FDADHL C[C@@H]1CN(CCCNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000739185343 602844572 /nfs/dbraw/zinc/84/45/72/602844572.db2.gz ZUCQYNMSXGMLEZ-TXEJJXNPSA-N -2 3 351.403 1.711 20 0 FDADHL CN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])cn2)CC1 ZINC000739737287 602844585 /nfs/dbraw/zinc/84/45/85/602844585.db2.gz WVEXWEUYCZTFDG-UHFFFAOYSA-N -2 3 371.397 1.881 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CCC(NC(=O)[O-])CC2)c1 ZINC000739785342 603085831 /nfs/dbraw/zinc/08/58/31/603085831.db2.gz UQCSTPSYPMBGQE-UHFFFAOYSA-N -2 3 374.390 1.469 20 0 FDADHL COc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)cc1-c1nnn[n-]1 ZINC000826201090 607635572 /nfs/dbraw/zinc/63/55/72/607635572.db2.gz XOAHTDSBUKGUIP-UHFFFAOYSA-N -2 3 361.308 1.789 20 0 FDADHL COc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826201090 607635573 /nfs/dbraw/zinc/63/55/73/607635573.db2.gz XOAHTDSBUKGUIP-UHFFFAOYSA-N -2 3 361.308 1.789 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000827343120 603625351 /nfs/dbraw/zinc/62/53/51/603625351.db2.gz KAIUZNHPSUYSFC-LBPRGKRZSA-N -2 3 366.370 1.666 20 0 FDADHL C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000825235219 604063148 /nfs/dbraw/zinc/06/31/48/604063148.db2.gz DBYSHRJBBHSIIB-UWVGGRQHSA-N -2 3 360.370 1.470 20 0 FDADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])c1 ZINC000776625995 604407170 /nfs/dbraw/zinc/40/71/70/604407170.db2.gz UOTQAGDRUQSZSV-LBPRGKRZSA-N -2 3 371.846 1.604 20 0 FDADHL Cc1ccc(CC(=O)[N-]OCC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832929203 604794594 /nfs/dbraw/zinc/79/45/94/604794594.db2.gz OJBIMENLRAKWOI-UHFFFAOYSA-N -2 3 371.393 1.992 20 0 FDADHL C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833550623 605036358 /nfs/dbraw/zinc/03/63/58/605036358.db2.gz XUZMWOBOINRKKO-MWLCHTKSSA-N -2 3 356.425 1.284 20 0 FDADHL C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833534465 605276533 /nfs/dbraw/zinc/27/65/33/605276533.db2.gz BUGRQTHZBKZUFI-SECBINFHSA-N -2 3 355.774 1.914 20 0 FDADHL C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCCN(C(=O)[O-])C1 ZINC000833822729 605859323 /nfs/dbraw/zinc/85/93/23/605859323.db2.gz VMLBPPIRXJMOCS-HNNXBMFYSA-N -2 3 354.384 1.328 20 0 FDADHL O=C([O-])N1CSC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000831715554 605881660 /nfs/dbraw/zinc/88/16/60/605881660.db2.gz TUCCGMKITPVYAN-VIFPVBQESA-N -2 3 361.217 1.824 20 0 FDADHL COC(=O)CCCc1nnc([N-]C(=O)c2cnc(NC(=O)[O-])cn2)s1 ZINC000833878516 606024709 /nfs/dbraw/zinc/02/47/09/606024709.db2.gz GDHXOAUFLROCJV-UHFFFAOYSA-N -2 3 366.359 1.166 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819864978 606177073 /nfs/dbraw/zinc/17/70/73/606177073.db2.gz BAVHKDJSFMTTAM-NSHDSACASA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819864978 606177074 /nfs/dbraw/zinc/17/70/74/606177074.db2.gz BAVHKDJSFMTTAM-NSHDSACASA-N -2 3 363.443 1.639 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000486822960 606203298 /nfs/dbraw/zinc/20/32/98/606203298.db2.gz LJEJEGUNQQEYFY-UHFFFAOYSA-N -2 3 363.355 1.356 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000486822960 606203299 /nfs/dbraw/zinc/20/32/99/606203299.db2.gz LJEJEGUNQQEYFY-UHFFFAOYSA-N -2 3 363.355 1.356 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc2ncccc2c1 ZINC000823583163 606212349 /nfs/dbraw/zinc/21/23/49/606212349.db2.gz JRWMEOLOWCGBFQ-UHFFFAOYSA-N -2 3 368.378 1.921 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820571493 606408482 /nfs/dbraw/zinc/40/84/82/606408482.db2.gz ZVCMMFKQLSNFTJ-SNVBAGLBSA-N -2 3 360.399 1.026 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820571493 606408484 /nfs/dbraw/zinc/40/84/84/606408484.db2.gz ZVCMMFKQLSNFTJ-SNVBAGLBSA-N -2 3 360.399 1.026 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000822223815 606469007 /nfs/dbraw/zinc/46/90/07/606469007.db2.gz LLLGPKXJPKZPKM-UHFFFAOYSA-N -2 3 363.428 1.705 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000822223815 606469008 /nfs/dbraw/zinc/46/90/08/606469008.db2.gz LLLGPKXJPKZPKM-UHFFFAOYSA-N -2 3 363.428 1.705 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051393 606612147 /nfs/dbraw/zinc/61/21/47/606612147.db2.gz OSFLDSBXZOIXHN-UHFFFAOYSA-N -2 3 351.432 1.744 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051393 606612149 /nfs/dbraw/zinc/61/21/49/606612149.db2.gz OSFLDSBXZOIXHN-UHFFFAOYSA-N -2 3 351.432 1.744 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000821903710 606751282 /nfs/dbraw/zinc/75/12/82/606751282.db2.gz LUGGKRAFHCUJRX-UHFFFAOYSA-N -2 3 374.426 1.742 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cnn1C ZINC000822122742 606765534 /nfs/dbraw/zinc/76/55/34/606765534.db2.gz PSUQXPQXAVNLTB-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cnn1C ZINC000822122742 606765536 /nfs/dbraw/zinc/76/55/36/606765536.db2.gz PSUQXPQXAVNLTB-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821678976 606896300 /nfs/dbraw/zinc/89/63/00/606896300.db2.gz VEYFVYNAYIRVEH-WDEREUQCSA-N -2 3 373.385 1.237 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000821837225 607034945 /nfs/dbraw/zinc/03/49/45/607034945.db2.gz BNNZXZAEGBJHAX-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000821837225 607034947 /nfs/dbraw/zinc/03/49/47/607034947.db2.gz BNNZXZAEGBJHAX-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000820541339 607110270 /nfs/dbraw/zinc/11/02/70/607110270.db2.gz DJPANWJUTAYMBX-SECBINFHSA-N -2 3 357.326 1.242 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000820541339 607110273 /nfs/dbraw/zinc/11/02/73/607110273.db2.gz DJPANWJUTAYMBX-SECBINFHSA-N -2 3 357.326 1.242 20 0 FDADHL COC(=O)c1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821671341 607155450 /nfs/dbraw/zinc/15/54/50/607155450.db2.gz RWWNLWYQXAJLBM-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821671341 607155451 /nfs/dbraw/zinc/15/54/51/607155451.db2.gz RWWNLWYQXAJLBM-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cncc(Cl)c1 ZINC000826492946 607962969 /nfs/dbraw/zinc/96/29/69/607962969.db2.gz MNCJFVDCNKFWRA-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cncc(Cl)c1 ZINC000826492946 607962970 /nfs/dbraw/zinc/96/29/70/607962970.db2.gz MNCJFVDCNKFWRA-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824385636 607984919 /nfs/dbraw/zinc/98/49/19/607984919.db2.gz YAWGXXAZNLBPJN-LLVKDONJSA-N -2 3 372.410 1.260 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824385636 607984920 /nfs/dbraw/zinc/98/49/20/607984920.db2.gz YAWGXXAZNLBPJN-LLVKDONJSA-N -2 3 372.410 1.260 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000826256169 608011448 /nfs/dbraw/zinc/01/14/48/608011448.db2.gz XDSIKFRHAHWKMF-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000826256169 608011449 /nfs/dbraw/zinc/01/14/49/608011449.db2.gz XDSIKFRHAHWKMF-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1c2c(nn1C)CCC2 ZINC000826255664 608057494 /nfs/dbraw/zinc/05/74/94/608057494.db2.gz GMYYPVOFGQEZSK-UHFFFAOYSA-N -2 3 359.415 1.198 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1c2c(nn1C)CCC2 ZINC000826255664 608057495 /nfs/dbraw/zinc/05/74/95/608057495.db2.gz GMYYPVOFGQEZSK-UHFFFAOYSA-N -2 3 359.415 1.198 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1C1CC1 ZINC000826450251 608141273 /nfs/dbraw/zinc/14/12/73/608141273.db2.gz DBWYYNBWMMBGCN-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1C1CC1 ZINC000826450251 608141274 /nfs/dbraw/zinc/14/12/74/608141274.db2.gz DBWYYNBWMMBGCN-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826450010 608146450 /nfs/dbraw/zinc/14/64/50/608146450.db2.gz STNICKOWAWSONW-UHFFFAOYSA-N -2 3 361.358 1.266 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826450010 608146451 /nfs/dbraw/zinc/14/64/51/608146451.db2.gz STNICKOWAWSONW-UHFFFAOYSA-N -2 3 361.358 1.266 20 0 FDADHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824884814 608154907 /nfs/dbraw/zinc/15/49/07/608154907.db2.gz PPLAWWRADFOXTC-DTWKUNHWSA-N -2 3 373.385 1.238 20 0 FDADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826449795 608319081 /nfs/dbraw/zinc/31/90/81/608319081.db2.gz KDVPRVFOPJPXBD-UHFFFAOYSA-N -2 3 363.321 1.269 20 0 FDADHL O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826449795 608319082 /nfs/dbraw/zinc/31/90/82/608319082.db2.gz KDVPRVFOPJPXBD-UHFFFAOYSA-N -2 3 363.321 1.269 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825066652 608473306 /nfs/dbraw/zinc/47/33/06/608473306.db2.gz CTCLEEOVMUFCOX-QMMMGPOBSA-N -2 3 373.822 1.394 20 0 FDADHL O=C([N-]N1CCc2ccccc2C1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826444702 609167056 /nfs/dbraw/zinc/16/70/56/609167056.db2.gz QQCFLQHGSVFPEC-UHFFFAOYSA-N -2 3 369.772 1.258 20 0 FDADHL O=C([N-]N1CCc2ccccc2C1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826444702 609167058 /nfs/dbraw/zinc/16/70/58/609167058.db2.gz QQCFLQHGSVFPEC-UHFFFAOYSA-N -2 3 369.772 1.258 20 0 FDADHL Cc1nnc(SCC(=O)[N-]OCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826337009 609304513 /nfs/dbraw/zinc/30/45/13/609304513.db2.gz YJQUBKAWBYYCMM-UHFFFAOYSA-N -2 3 371.426 1.614 20 0 FDADHL Cc1nnc(SCC(=O)[N-]OCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826337009 609304514 /nfs/dbraw/zinc/30/45/14/609304514.db2.gz YJQUBKAWBYYCMM-UHFFFAOYSA-N -2 3 371.426 1.614 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826299747 609340112 /nfs/dbraw/zinc/34/01/12/609340112.db2.gz SWFWWNHNTJJDEI-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000826280256 609382943 /nfs/dbraw/zinc/38/29/43/609382943.db2.gz UNAQHVNYPKBGKR-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000275042588 674602957 /nfs/dbraw/zinc/60/29/57/674602957.db2.gz VRARRQYOWNYSJF-CYBMUJFWSA-N -2 3 368.411 1.522 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)s1 ZINC000275081600 674604732 /nfs/dbraw/zinc/60/47/32/674604732.db2.gz YWDCWMAUXNSCJC-QMMMGPOBSA-N -2 3 365.429 1.321 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000275231680 674617122 /nfs/dbraw/zinc/61/71/22/674617122.db2.gz JKIVVDDAEMEKOV-SSDOTTSWSA-N -3 3 356.183 1.508 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c(=O)[n-]1 ZINC000048507380 671074207 /nfs/dbraw/zinc/07/42/07/671074207.db2.gz IIHDWROXVLCDOC-UHFFFAOYSA-N -2 3 360.395 1.287 20 0 FDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000049275436 671091675 /nfs/dbraw/zinc/09/16/75/671091675.db2.gz FZMCRQOWIKICHT-UHFFFAOYSA-N -2 3 350.238 1.660 20 0 FDADHL Cc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)NC(C)C ZINC000049463364 671093114 /nfs/dbraw/zinc/09/31/14/671093114.db2.gz XEXHJCHOVWGKLD-UHFFFAOYSA-N -2 3 350.238 1.658 20 0 FDADHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000061031966 671292089 /nfs/dbraw/zinc/29/20/89/671292089.db2.gz CGYUBJXIFOYFLO-UHFFFAOYSA-N -2 3 367.221 1.186 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000064375360 671325179 /nfs/dbraw/zinc/32/51/79/671325179.db2.gz YPIXBDSKHHMSAO-UHFFFAOYSA-N -2 3 358.395 1.003 20 0 FDADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccc(N2CCCC2)nn1 ZINC000069370617 671382221 /nfs/dbraw/zinc/38/22/21/671382221.db2.gz GOXJBYRTLNZSJA-UHFFFAOYSA-N -2 3 361.789 1.511 20 0 FDADHL COCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000105577477 671602183 /nfs/dbraw/zinc/60/21/83/671602183.db2.gz PALMNOXGNIGLNV-UHFFFAOYSA-N -2 3 366.395 1.787 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000326382104 676582705 /nfs/dbraw/zinc/58/27/05/676582705.db2.gz HPVCZYMRHZUOAR-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1C(=O)[O-] ZINC000371414726 677668801 /nfs/dbraw/zinc/66/88/01/677668801.db2.gz LGVSZZIANONXTR-UHFFFAOYSA-N -3 3 362.371 1.187 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)c1 ZINC000377310469 678514957 /nfs/dbraw/zinc/51/49/57/678514957.db2.gz VSQCNGMWXNQJDX-LBPRGKRZSA-N -3 3 365.363 1.707 20 0 FDADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000392700939 678789660 /nfs/dbraw/zinc/78/96/60/678789660.db2.gz FHXHBHSPPDXKOO-UHFFFAOYSA-N -2 3 366.370 1.986 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cnc1C ZINC000427275545 680971292 /nfs/dbraw/zinc/97/12/92/680971292.db2.gz MJBKBTULBFMQFS-UHFFFAOYSA-N -2 3 368.342 1.815 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c(F)c1 ZINC000474426392 685408232 /nfs/dbraw/zinc/40/82/32/685408232.db2.gz KLCJYMFOZIFZMP-UHFFFAOYSA-N -2 3 374.419 1.599 20 0 FDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000436653983 681713804 /nfs/dbraw/zinc/71/38/04/681713804.db2.gz VVHQHNJKNANZHJ-UHFFFAOYSA-N -2 3 352.368 1.738 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1O ZINC000436807224 681731594 /nfs/dbraw/zinc/73/15/94/681731594.db2.gz KOEZKDXDUPWDDI-UHFFFAOYSA-N -2 3 369.326 1.817 20 0 FDADHL O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1c([O-])cccc1F ZINC000436891552 681741966 /nfs/dbraw/zinc/74/19/66/681741966.db2.gz JFUSHFDBLNNEQC-UHFFFAOYSA-N -2 3 366.370 1.930 20 0 FDADHL Cc1cn2cc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)sc2n1 ZINC000440124377 681971820 /nfs/dbraw/zinc/97/18/20/681971820.db2.gz VDNUGWPRBYCTTI-UHFFFAOYSA-N -2 3 358.430 1.180 20 0 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3 350.437 1.664 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000433525952 538250686 /nfs/dbraw/zinc/25/06/86/538250686.db2.gz RYUJMNDYIQSMFH-UHFFFAOYSA-N -3 3 354.315 1.129 20 0 FDADHL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433807902 538272983 /nfs/dbraw/zinc/27/29/83/538272983.db2.gz MHULRNWDGPMAAH-UHFFFAOYSA-N -3 3 365.367 1.643 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000424364128 538285162 /nfs/dbraw/zinc/28/51/62/538285162.db2.gz CTVNJTPSWPOHST-UHFFFAOYSA-N -2 3 350.418 1.099 20 0 FDADHL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466338207 538532069 /nfs/dbraw/zinc/53/20/69/538532069.db2.gz UGYMGDUYULKTQJ-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485345453 538834936 /nfs/dbraw/zinc/83/49/36/538834936.db2.gz KRJIDCFLJDAUOS-UHFFFAOYSA-N -2 3 369.374 1.501 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)nc2n1 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ACPWHIGCCIBIPI-HNNXBMFYSA-N -2 3 366.395 1.593 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1ccco1 ZINC000565714796 547453304 /nfs/dbraw/zinc/45/33/04/547453304.db2.gz ZKJGEUDYENMRCO-CQSZACIVSA-N -2 3 369.395 1.799 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(C)o1 ZINC000565752801 547465734 /nfs/dbraw/zinc/46/57/34/547465734.db2.gz IYFBXNVMIMIDEE-UHFFFAOYSA-N -2 3 358.416 1.213 20 0 FDADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000566077187 547590563 /nfs/dbraw/zinc/59/05/63/547590563.db2.gz BMMNFEDKXWPQTN-CDUCUWFYSA-N -2 3 359.734 1.054 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c(F)c1 ZINC000567124505 548004257 /nfs/dbraw/zinc/00/42/57/548004257.db2.gz JCUQLALFXLVRIO-UHFFFAOYSA-N -2 3 374.419 1.599 20 0 FDADHL Cc1c([C@H]([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)C(=O)[O-])cnn1C ZINC000568768927 548674033 /nfs/dbraw/zinc/67/40/33/548674033.db2.gz MARGHFFKZCVLLX-ZDUSSCGKSA-N -2 3 370.431 1.259 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000569453111 548922559 /nfs/dbraw/zinc/92/25/59/548922559.db2.gz RVQUQIYAPPLQIT-SNVBAGLBSA-N -2 3 351.446 1.794 20 0 FDADHL COC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000569840417 549067925 /nfs/dbraw/zinc/06/79/25/549067925.db2.gz BMXIRIODHFDHHG-CQSZACIVSA-N -2 3 356.425 1.578 20 0 FDADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000571043872 549504817 /nfs/dbraw/zinc/50/48/17/549504817.db2.gz VPGSYAMZTCVGCI-ZDUSSCGKSA-N -2 3 360.432 1.161 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c1 ZINC000571153789 549544344 /nfs/dbraw/zinc/54/43/44/549544344.db2.gz UOXSKEDVLWQBNA-GFCCVEGCSA-N -2 3 373.413 1.050 20 0 FDADHL COc1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c(C(=O)[O-])cc1OC ZINC000572641050 549962543 /nfs/dbraw/zinc/96/25/43/549962543.db2.gz NGFIRRJUDZPSCT-CQSZACIVSA-N -2 3 359.400 1.569 20 0 FDADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000572726486 549980899 /nfs/dbraw/zinc/98/08/99/549980899.db2.gz XZONLVFJKIWPMX-NSHDSACASA-N -2 3 362.448 1.660 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2OC)c(F)c1 ZINC000573894909 550227777 /nfs/dbraw/zinc/22/77/77/550227777.db2.gz JFTSTSPZZKPZEG-HNNXBMFYSA-N -2 3 369.370 1.947 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000573962454 550238718 /nfs/dbraw/zinc/23/87/18/550238718.db2.gz GEGAGIOGUNPONS-SECBINFHSA-N -2 3 354.409 1.686 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1cccc(OC)c1 ZINC000574200218 550274752 /nfs/dbraw/zinc/27/47/52/550274752.db2.gz NSSUJFGWJPJFPQ-UHFFFAOYSA-N -2 3 371.436 1.985 20 0 FDADHL C[C@H]1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C[C@H]1C(=O)[O-] ZINC000574756959 550365628 /nfs/dbraw/zinc/36/56/28/550365628.db2.gz KKQIFVXKTAGSRH-SMDDNHRTSA-N -2 3 359.382 1.061 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000574769936 550367527 /nfs/dbraw/zinc/36/75/27/550367527.db2.gz CNFDNWQOZSDHQR-ZDUSSCGKSA-N -2 3 352.416 1.428 20 0 FDADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC000575841173 550481414 /nfs/dbraw/zinc/48/14/14/550481414.db2.gz RMZRTFQERKVSIN-UHFFFAOYSA-N -2 3 357.775 1.592 20 0 FDADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000576035465 550504210 /nfs/dbraw/zinc/50/42/10/550504210.db2.gz NNBPVGWSYNDYCZ-UHFFFAOYSA-N -2 3 359.791 1.943 20 0 FDADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000576582510 550565167 /nfs/dbraw/zinc/56/51/67/550565167.db2.gz SPOMWBBGBGVJAA-CYBMUJFWSA-N -2 3 353.396 1.818 20 0 FDADHL COC(=O)c1nc[n-]c1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000576834780 550590930 /nfs/dbraw/zinc/59/09/30/550590930.db2.gz SAHJBHTURUKLTK-UHFFFAOYSA-N -2 3 370.387 1.118 20 0 FDADHL COC(=O)c1[n-]cnc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000576834780 550590932 /nfs/dbraw/zinc/59/09/32/550590932.db2.gz SAHJBHTURUKLTK-UHFFFAOYSA-N -2 3 370.387 1.118 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000577175280 550628509 /nfs/dbraw/zinc/62/85/09/550628509.db2.gz NXQBURUAZPVOOF-CYZMBNFOSA-N -2 3 350.421 1.848 20 0 FDADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOC(F)(F)F)cc(C(=O)[O-])c1 ZINC000577669813 550681721 /nfs/dbraw/zinc/68/17/21/550681721.db2.gz MFQLLAJCAGQWBZ-UHFFFAOYSA-N -3 3 357.262 1.361 20 0 FDADHL CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)CCO1 ZINC000578745364 550796830 /nfs/dbraw/zinc/79/68/30/550796830.db2.gz QJSMEGMENJUOLW-WDEREUQCSA-N -2 3 361.391 1.768 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000580032967 550935260 /nfs/dbraw/zinc/93/52/60/550935260.db2.gz KZVWQYISOFQWBE-LBPRGKRZSA-N -2 3 361.789 1.473 20 0 FDADHL COc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(C)o2)C(=O)[O-])c1 ZINC000580957120 551037321 /nfs/dbraw/zinc/03/73/21/551037321.db2.gz JUWRRJKLMCJQBE-ZDUSSCGKSA-N -2 3 353.396 1.818 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]CCOc2ccc(C(=O)[O-])cc2)s1 ZINC000582120029 551178876 /nfs/dbraw/zinc/17/88/76/551178876.db2.gz AFUKLKOPWSLWJO-UHFFFAOYSA-N -2 3 356.425 1.761 20 0 FDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000582165956 551184440 /nfs/dbraw/zinc/18/44/40/551184440.db2.gz FKLRHITZLSWGNN-SECBINFHSA-N -2 3 360.823 1.613 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000584161486 551456534 /nfs/dbraw/zinc/45/65/34/551456534.db2.gz GYWFRWVOCMCNLR-SUZMYJTESA-N -2 3 362.448 1.664 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(OC)c1 ZINC000584716796 551535325 /nfs/dbraw/zinc/53/53/25/551535325.db2.gz KSNHOUZRCSLWCS-UHFFFAOYSA-N -2 3 369.395 1.824 20 0 FDADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592457244 551997881 /nfs/dbraw/zinc/99/78/81/551997881.db2.gz CZJWTXVVAOLSQA-YIZRAAEISA-N -2 3 361.338 1.043 20 0 FDADHL O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604709199 553904369 /nfs/dbraw/zinc/90/43/69/553904369.db2.gz YNEMSKBFCYJAFL-UHFFFAOYSA-N -2 3 351.366 1.798 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000610799734 554563778 /nfs/dbraw/zinc/56/37/78/554563778.db2.gz CWRLIEBWDBXEQE-UHFFFAOYSA-N -2 3 367.383 1.575 20 0 FDADHL O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1)c1cncc([O-])c1 ZINC000616781500 555335452 /nfs/dbraw/zinc/33/54/52/555335452.db2.gz MPJLDQHFOJXHDO-HZPDHXFCSA-N -2 3 356.382 1.359 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c[n-]1 ZINC000618906705 555694153 /nfs/dbraw/zinc/69/41/53/555694153.db2.gz UMGZUHJZAOIMTI-UHFFFAOYSA-N -2 3 369.399 1.412 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)[n-]1 ZINC000618906705 555694154 /nfs/dbraw/zinc/69/41/54/555694154.db2.gz UMGZUHJZAOIMTI-UHFFFAOYSA-N -2 3 369.399 1.412 20 0 FDADHL O=C([O-])[C@@H]1CCCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000621566708 556113175 /nfs/dbraw/zinc/11/31/75/556113175.db2.gz ZGHMFEIAXFOIAU-AWEZNQCLSA-N -2 3 359.382 1.348 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C1CC1 ZINC000629290078 557753389 /nfs/dbraw/zinc/75/33/89/557753389.db2.gz CDDQAVHDUBTHSA-CQSZACIVSA-N -2 3 362.473 1.615 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1)C(=O)[O-] ZINC000629295969 557755393 /nfs/dbraw/zinc/75/53/93/557755393.db2.gz PQBOONCQYMFOEC-IHRRRGAJSA-N -2 3 363.407 1.047 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C)C1CC1 ZINC000629304883 557757991 /nfs/dbraw/zinc/75/79/91/557757991.db2.gz NVXBOYWWCRGVDZ-OAHLLOKOSA-N -2 3 369.443 1.139 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629339702 557769042 /nfs/dbraw/zinc/76/90/42/557769042.db2.gz JCMYKGLBQZMVOH-VXGBXAGGSA-N -2 3 358.416 1.029 20 0 FDADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1n[n-]c(SC)n1 ZINC000629347567 557771416 /nfs/dbraw/zinc/77/14/16/557771416.db2.gz CUUZPOOCTZQEOW-NSHDSACASA-N -2 3 360.436 1.665 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000630422433 557907992 /nfs/dbraw/zinc/90/79/92/557907992.db2.gz LXCFFUMYWVPTCT-UWVGGRQHSA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])C12CCC(CC1)N2C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000630326183 557897826 /nfs/dbraw/zinc/89/78/26/557897826.db2.gz VOIBHGFLNOXODZ-UHFFFAOYSA-N -2 3 357.366 1.100 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cscc2Br)CCOC1 ZINC000630418783 557907254 /nfs/dbraw/zinc/90/72/54/557907254.db2.gz VULDOKJAXYVMHE-SECBINFHSA-N -2 3 356.219 1.033 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCOC1 ZINC000630433901 557909111 /nfs/dbraw/zinc/90/91/11/557909111.db2.gz ZMOBYAIVJGNTSE-CYBMUJFWSA-N -2 3 351.783 1.639 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cccc1-c1nn[nH]n1 ZINC000822121222 607255111 /nfs/dbraw/zinc/25/51/11/607255111.db2.gz BQQFMLXSOZSVTJ-UHFFFAOYSA-N -2 3 359.367 1.674 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)c(Br)o1 ZINC000231346117 602160258 /nfs/dbraw/zinc/16/02/58/602160258.db2.gz DKVJNJBRNWHDNS-RXMQYKEDSA-N -2 3 356.219 1.524 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737168101 599149928 /nfs/dbraw/zinc/14/99/28/599149928.db2.gz YPHBGHBRKIBRCL-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL O=C([O-])C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000740479324 596937533 /nfs/dbraw/zinc/93/75/33/596937533.db2.gz CDYKNLYLPYGQSR-UHFFFAOYSA-N -2 3 370.402 1.203 20 0 FDADHL O=C([O-])CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000821525341 597651006 /nfs/dbraw/zinc/65/10/06/597651006.db2.gz LKFIIHLTCUWIDV-INIZCTEOSA-N -2 3 356.378 1.844 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCC(=O)[O-])ccc1F ZINC000767129864 598165568 /nfs/dbraw/zinc/16/55/68/598165568.db2.gz IGIRZGJWOBOEOW-UHFFFAOYSA-N -2 3 360.407 1.497 20 0 FDADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738340048 598438537 /nfs/dbraw/zinc/43/85/37/598438537.db2.gz SOAAIKAXYQXITB-UHFFFAOYSA-N -2 3 359.415 1.979 20 0 FDADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738340048 598438539 /nfs/dbraw/zinc/43/85/39/598438539.db2.gz SOAAIKAXYQXITB-UHFFFAOYSA-N -2 3 359.415 1.979 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735551296 599615240 /nfs/dbraw/zinc/61/52/40/599615240.db2.gz QMMFYLRUSJGEHO-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735551296 599615241 /nfs/dbraw/zinc/61/52/41/599615241.db2.gz QMMFYLRUSJGEHO-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735602175 599616908 /nfs/dbraw/zinc/61/69/08/599616908.db2.gz AUWUBAWZUVFIIT-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735602175 599616910 /nfs/dbraw/zinc/61/69/10/599616910.db2.gz AUWUBAWZUVFIIT-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820690540 599619746 /nfs/dbraw/zinc/61/97/46/599619746.db2.gz NRIQOMVYQLEREN-RYUDHWBXSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820690540 599619747 /nfs/dbraw/zinc/61/97/47/599619747.db2.gz NRIQOMVYQLEREN-RYUDHWBXSA-N -2 3 363.443 1.639 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)o1 ZINC000740176639 599773731 /nfs/dbraw/zinc/77/37/31/599773731.db2.gz MUNAGZBYYKOTFZ-UHFFFAOYSA-N -2 3 356.425 1.376 20 0 FDADHL CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737202316 599776602 /nfs/dbraw/zinc/77/66/02/599776602.db2.gz BKOAVFLTEVLDBG-UHFFFAOYSA-N -2 3 368.367 1.294 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN(C(=O)C2CCC2)C2CC2)o1 ZINC000740175805 599979335 /nfs/dbraw/zinc/97/93/35/599979335.db2.gz ZSRRRBUPIMSIHR-UHFFFAOYSA-N -2 3 370.427 1.437 20 0 FDADHL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000740040988 600053904 /nfs/dbraw/zinc/05/39/04/600053904.db2.gz KRFWOOIWYOIIDS-UHFFFAOYSA-N -3 3 361.335 1.461 20 0 FDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC(C)(C)C(=O)[O-] ZINC000738975757 600175187 /nfs/dbraw/zinc/17/51/87/600175187.db2.gz MFDXKZNOWLJFRO-UHFFFAOYSA-N -2 3 371.349 1.586 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738688498 600177214 /nfs/dbraw/zinc/17/72/14/600177214.db2.gz AOUUEZSESINDDZ-UHFFFAOYSA-N -4 3 365.319 1.582 20 0 FDADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1 ZINC000739308033 600220186 /nfs/dbraw/zinc/22/01/86/600220186.db2.gz GDZOBYLQPIGYGO-UHFFFAOYSA-N -2 3 363.391 1.548 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000392967892 600229699 /nfs/dbraw/zinc/22/96/99/600229699.db2.gz LPDRAPDBZDLMJI-OAHLLOKOSA-N -2 3 363.391 1.719 20 0 FDADHL Cc1nc(C)c(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)[n-]1 ZINC000738845620 600586927 /nfs/dbraw/zinc/58/69/27/600586927.db2.gz VZUFPPVSNAUAAG-CYBMUJFWSA-N -2 3 359.382 1.107 20 0 FDADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000738178513 600613587 /nfs/dbraw/zinc/61/35/87/600613587.db2.gz ATZILUSTBHLJFJ-QHCPKHFHSA-N -2 3 369.420 1.770 20 0 FDADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 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C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820676744 606626877 /nfs/dbraw/zinc/62/68/77/606626877.db2.gz OAYHQEJKJHGXLL-LWMMSDEHSA-N -2 3 361.427 1.559 20 0 FDADHL CCCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821007679 606654272 /nfs/dbraw/zinc/65/42/72/606654272.db2.gz CGRHSWADHUMICZ-UHFFFAOYSA-N -2 3 374.220 1.234 20 0 FDADHL CCCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821007679 606654273 /nfs/dbraw/zinc/65/42/73/606654273.db2.gz CGRHSWADHUMICZ-UHFFFAOYSA-N -2 3 374.220 1.234 20 0 FDADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822399568 606709676 /nfs/dbraw/zinc/70/96/76/606709676.db2.gz JUBAOIBTDWTKME-UHFFFAOYSA-N -2 3 370.398 1.258 20 0 FDADHL Cc1noc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000822530688 606751052 /nfs/dbraw/zinc/75/10/52/606751052.db2.gz MKDXQNUGDCWWPY-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cc1noc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000822530688 606751053 /nfs/dbraw/zinc/75/10/53/606751053.db2.gz MKDXQNUGDCWWPY-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1O ZINC000822259153 606866942 /nfs/dbraw/zinc/86/69/42/606866942.db2.gz NVJHWAZWHNHCMF-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1O ZINC000822259153 606866944 /nfs/dbraw/zinc/86/69/44/606866944.db2.gz NVJHWAZWHNHCMF-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572210 606877153 /nfs/dbraw/zinc/87/71/53/606877153.db2.gz DVDFRWURKOMZPA-SSDOTTSWSA-N -2 3 365.312 1.611 20 0 FDADHL Cc1ccc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822236411 606886958 /nfs/dbraw/zinc/88/69/58/606886958.db2.gz YGJVQHCFYCPWEG-UHFFFAOYSA-N -2 3 369.353 1.567 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821427419 607025696 /nfs/dbraw/zinc/02/56/96/607025696.db2.gz SFRKORIZEYMNKB-UHFFFAOYSA-N -2 3 366.428 1.831 20 0 FDADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000822399939 607026620 /nfs/dbraw/zinc/02/66/20/607026620.db2.gz PZHUYXXQVMLVMP-UHFFFAOYSA-N -2 3 373.423 1.981 20 0 FDADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820684043 607095249 /nfs/dbraw/zinc/09/52/49/607095249.db2.gz LISBTXKIMWGSDL-RYUDHWBXSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820684043 607095251 /nfs/dbraw/zinc/09/52/51/607095251.db2.gz LISBTXKIMWGSDL-RYUDHWBXSA-N -2 3 363.443 1.639 20 0 FDADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824790103 607819045 /nfs/dbraw/zinc/81/90/45/607819045.db2.gz KRQLHDYUDSKECR-VIFPVBQESA-N -2 3 373.385 1.381 20 0 FDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000825480843 607846286 /nfs/dbraw/zinc/84/62/86/607846286.db2.gz NEGDZRBRORNCFJ-UHFFFAOYSA-N -2 3 365.444 1.864 20 0 FDADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493133 607983087 /nfs/dbraw/zinc/98/30/87/607983087.db2.gz VCTQKXQZIBIMDS-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cccnc1 ZINC000826279214 607992137 /nfs/dbraw/zinc/99/21/37/607992137.db2.gz JDPUBQAVCBOQRD-FNORWQNLSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cccnc1 ZINC000826279214 607992138 /nfs/dbraw/zinc/99/21/38/607992138.db2.gz JDPUBQAVCBOQRD-FNORWQNLSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1cccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826302036 608011289 /nfs/dbraw/zinc/01/12/89/608011289.db2.gz YQKKVVFSKWJZAL-NSHDSACASA-N -2 3 365.415 1.051 20 0 FDADHL Cc1cccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826302036 608011290 /nfs/dbraw/zinc/01/12/90/608011290.db2.gz YQKKVVFSKWJZAL-NSHDSACASA-N -2 3 365.415 1.051 20 0 FDADHL O=S(=O)([N-]c1cccc(O)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826492912 608095274 /nfs/dbraw/zinc/09/52/74/608095274.db2.gz KUTFJVVAYCPEIK-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1cccc(O)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492912 608095275 /nfs/dbraw/zinc/09/52/75/608095275.db2.gz KUTFJVVAYCPEIK-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826483641 608107201 /nfs/dbraw/zinc/10/72/01/608107201.db2.gz UXGWAEXRWVGFPN-UHFFFAOYSA-N -2 3 357.351 1.338 20 0 FDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826216538 608144826 /nfs/dbraw/zinc/14/48/26/608144826.db2.gz CUWPFAVXWQCHAK-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826216538 608144827 /nfs/dbraw/zinc/14/48/27/608144827.db2.gz CUWPFAVXWQCHAK-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL CCCc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n(C)n1 ZINC000825348472 608219814 /nfs/dbraw/zinc/21/98/14/608219814.db2.gz MIGKYHMLGKVRCL-UHFFFAOYSA-N -2 3 361.431 1.662 20 0 FDADHL CCCc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(C)n1 ZINC000825348472 608219816 /nfs/dbraw/zinc/21/98/16/608219816.db2.gz MIGKYHMLGKVRCL-UHFFFAOYSA-N -2 3 361.431 1.662 20 0 FDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825659624 608476350 /nfs/dbraw/zinc/47/63/50/608476350.db2.gz WZFBLVUGLSOMRB-UHFFFAOYSA-N -2 3 373.394 1.384 20 0 FDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825659624 608476351 /nfs/dbraw/zinc/47/63/51/608476351.db2.gz WZFBLVUGLSOMRB-UHFFFAOYSA-N -2 3 373.394 1.384 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)sc1C ZINC000826272579 608476382 /nfs/dbraw/zinc/47/63/82/608476382.db2.gz QSGPQNIUJCQSOI-UHFFFAOYSA-N -2 3 366.428 1.002 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)sc1C ZINC000826272579 608476383 /nfs/dbraw/zinc/47/63/83/608476383.db2.gz QSGPQNIUJCQSOI-UHFFFAOYSA-N -2 3 366.428 1.002 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000824746562 609259485 /nfs/dbraw/zinc/25/94/85/609259485.db2.gz WACHYTCTFOHVKP-QWHCGFSZSA-N -2 3 373.413 1.880 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000824746562 609259486 /nfs/dbraw/zinc/25/94/86/609259486.db2.gz WACHYTCTFOHVKP-QWHCGFSZSA-N -2 3 373.413 1.880 20 0 FDADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826155609 609386515 /nfs/dbraw/zinc/38/65/15/609386515.db2.gz WEFPXISWXKRNRM-LLVKDONJSA-N -2 3 367.431 1.043 20 0 FDADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826155609 609386518 /nfs/dbraw/zinc/38/65/18/609386518.db2.gz WEFPXISWXKRNRM-LLVKDONJSA-N -2 3 367.431 1.043 20 0 FDADHL COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826165426 609423066 /nfs/dbraw/zinc/42/30/66/609423066.db2.gz UMKRQEWWLASQHN-UHFFFAOYSA-N -2 3 363.374 1.953 20 0 FDADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000826317516 609449151 /nfs/dbraw/zinc/44/91/51/609449151.db2.gz FVFLNGRXTCVCGJ-SSDOTTSWSA-N -2 3 370.341 1.481 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1cn2c(n1)CCCC2 ZINC000826492467 609531024 /nfs/dbraw/zinc/53/10/24/609531024.db2.gz MLAFVRDIVRIURX-UHFFFAOYSA-N -2 3 363.378 1.339 20 0 FDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000275009335 674601160 /nfs/dbraw/zinc/60/11/60/674601160.db2.gz PRBHPPJUKUFHHM-LBPRGKRZSA-N -2 3 364.826 1.697 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)oc1C ZINC000275102302 674606086 /nfs/dbraw/zinc/60/60/86/674606086.db2.gz QSTJJRPLDIWTEE-UHFFFAOYSA-N -2 3 367.379 1.594 20 0 FDADHL COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000278217925 675106379 /nfs/dbraw/zinc/10/63/79/675106379.db2.gz IVZQYRCIQZKPIA-QMMMGPOBSA-N -2 3 368.367 1.189 20 0 FDADHL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)[C@H]3CCCOC3)ccc12 ZINC000278232984 675109112 /nfs/dbraw/zinc/10/91/12/675109112.db2.gz KNUDFDIWARHFCB-JTQLQIEISA-N -2 3 352.368 1.559 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000055317442 671232841 /nfs/dbraw/zinc/23/28/41/671232841.db2.gz FAOHSMSXVJTCDL-UHFFFAOYSA-N -2 3 363.757 1.784 20 0 FDADHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]NC(=O)c1ccccc1[O-] ZINC000055556954 671236354 /nfs/dbraw/zinc/23/63/54/671236354.db2.gz HRBSUGGSIKDNEG-UHFFFAOYSA-N -2 3 351.340 1.232 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)CCC2CCCCC2)o1 ZINC000066782889 671346244 /nfs/dbraw/zinc/34/62/44/671346244.db2.gz JQFCCHRYYKJILZ-UHFFFAOYSA-N -2 3 357.432 1.309 20 0 FDADHL COC(=O)c1ccc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000069644171 671385296 /nfs/dbraw/zinc/38/52/96/671385296.db2.gz OBDHZQQZOHSOKM-UHFFFAOYSA-N -2 3 354.771 1.969 20 0 FDADHL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000156763542 671960031 /nfs/dbraw/zinc/96/00/31/671960031.db2.gz BZKFVHPTKNIPEJ-UHFFFAOYSA-N -2 3 365.253 1.028 20 0 FDADHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187035074 672278868 /nfs/dbraw/zinc/27/88/68/672278868.db2.gz QAYNFKHVTDYMHR-UHFFFAOYSA-N -2 3 350.787 1.538 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(C)o1 ZINC000262743562 672839717 /nfs/dbraw/zinc/83/97/17/672839717.db2.gz IQXIXHRNWUAAON-NHYWBVRUSA-N -2 3 358.416 1.259 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)s1 ZINC000290151604 676188034 /nfs/dbraw/zinc/18/80/34/676188034.db2.gz NPPQSLZBBJKMQB-UHFFFAOYSA-N -2 3 368.234 1.016 20 0 FDADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)s1 ZINC000290455479 676206454 /nfs/dbraw/zinc/20/64/54/676206454.db2.gz DBTRBZDDOZNJFV-UHFFFAOYSA-N -2 3 367.452 1.766 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000436476048 681696613 /nfs/dbraw/zinc/69/66/13/681696613.db2.gz IKZDZVRPZIFEMF-UHFFFAOYSA-N -2 3 361.326 1.441 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC000436666764 681714727 /nfs/dbraw/zinc/71/47/27/681714727.db2.gz RRNOKYHEAUMIIR-UHFFFAOYSA-N -2 3 371.392 1.828 20 0 FDADHL O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cc(F)ccc1[O-] ZINC000436694426 681716543 /nfs/dbraw/zinc/71/65/43/681716543.db2.gz ARNHJIYTSREZOM-UHFFFAOYSA-N -2 3 366.370 1.930 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1 ZINC000436948449 681746396 /nfs/dbraw/zinc/74/63/96/681746396.db2.gz OQSLIOSAQQJPSV-UHFFFAOYSA-N -3 3 350.308 1.738 20 0 FDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000442743856 682174770 /nfs/dbraw/zinc/17/47/70/682174770.db2.gz LCTBMBKIQOQCSL-MRVPVSSYSA-N -2 3 368.864 1.392 20 0 FDADHL COCCCn1cc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])n1 ZINC000451092716 682815578 /nfs/dbraw/zinc/81/55/78/682815578.db2.gz XMGKTGLAAWKNRT-UHFFFAOYSA-N -2 3 355.416 1.743 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cccc1C(=O)[O-] ZINC000476799965 685777175 /nfs/dbraw/zinc/77/71/75/685777175.db2.gz WCAIJPMDUQGSET-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1F ZINC000494629750 687560466 /nfs/dbraw/zinc/56/04/66/687560466.db2.gz DEPFYCNVUJTRCP-UHFFFAOYSA-N -2 3 363.330 1.300 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000519547292 690220223 /nfs/dbraw/zinc/22/02/23/690220223.db2.gz PVUSTTVOIRAFDS-CYBMUJFWSA-N -2 3 358.416 1.752 20 0 FDADHL CC1(c2nc(=NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)s[n-]2)CC1 ZINC000529704065 694792741 /nfs/dbraw/zinc/79/27/41/694792741.db2.gz XYXICTJGHGLNFT-UHFFFAOYSA-N -2 3 352.441 1.635 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CO1 ZINC000402075390 768819417 /nfs/dbraw/zinc/81/94/17/768819417.db2.gz RMQPQQWZJJSCGM-PHDIDXHHSA-N -2 3 354.178 1.196 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)o1 ZINC000683306902 771330510 /nfs/dbraw/zinc/33/05/10/771330510.db2.gz HCXSUFKWBRSCKC-MRXNPFEDSA-N -2 3 366.395 1.226 20 0 FDADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-])C1CC1 ZINC000656167756 773969894 /nfs/dbraw/zinc/96/98/94/773969894.db2.gz BHDQPUYYYHMBBK-DTWKUNHWSA-N -2 3 353.849 1.948 20 0 FDADHL O=C1COc2c(ccnc2NC2(P(=O)([O-])[O-])Cc3ccccc3C2)N1 ZINC001167933269 810935306 /nfs/dbraw/zinc/93/53/06/810935306.db2.gz HRECJVPBTRTVJI-UHFFFAOYSA-N -2 3 361.294 1.497 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000666157631 832346505 /nfs/dbraw/zinc/34/65/05/832346505.db2.gz RVRDIHMDSXZADA-SECBINFHSA-N -2 3 370.196 1.275 20 0 FDADHL O=C([N-]c1nncs1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729841602 841185763 /nfs/dbraw/zinc/18/57/63/841185763.db2.gz HNHUODJIJKJZBY-UHFFFAOYSA-N -2 3 360.367 1.509 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000906003916 852502381 /nfs/dbraw/zinc/50/23/81/852502381.db2.gz APHOCWFUFJGZRG-QMMMGPOBSA-N -2 3 372.237 1.683 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000906006461 852506174 /nfs/dbraw/zinc/50/61/74/852506174.db2.gz ZPCGOAYUYHDXJW-ZETCQYMHSA-N -2 3 372.237 1.683 20 0 FDADHL CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@@H]1C ZINC000906875555 853425449 /nfs/dbraw/zinc/42/54/49/853425449.db2.gz QUVUPVYZMLXQSX-WCQYABFASA-N -2 3 356.444 1.584 20 0 FDADHL CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906897018 853518780 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Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185555833 963975423 /nfs/dbraw/zinc/97/54/23/963975423.db2.gz JRIUGQGXWPFWEE-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185555833 963975427 /nfs/dbraw/zinc/97/54/27/963975427.db2.gz JRIUGQGXWPFWEE-UHFFFAOYSA-N -2 3 355.383 1.624 20 0 FDADHL Cc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185565565 963978739 /nfs/dbraw/zinc/97/87/39/963978739.db2.gz COASIMIXARORGA-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL Cc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185565565 963978743 /nfs/dbraw/zinc/97/87/43/963978743.db2.gz COASIMIXARORGA-UHFFFAOYSA-N -2 3 351.779 1.419 20 0 FDADHL COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185598812 963998141 /nfs/dbraw/zinc/99/81/41/963998141.db2.gz VJISBPAQESXCLU-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598812 963998144 /nfs/dbraw/zinc/99/81/44/963998144.db2.gz VJISBPAQESXCLU-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccccc1C(=O)N1CCCC1 ZINC001187144936 965044851 /nfs/dbraw/zinc/04/48/51/965044851.db2.gz RSBYVRLKSQDYSP-UHFFFAOYSA-N -2 3 354.343 1.610 20 0 FDADHL O=C([N-]CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(F)(F)F ZINC001188078817 965995370 /nfs/dbraw/zinc/99/53/70/965995370.db2.gz OYBXLCWVIKEHNE-UHFFFAOYSA-N -2 3 366.148 1.345 20 0 FDADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOc1ccccc1 ZINC000852734828 967562059 /nfs/dbraw/zinc/56/20/59/967562059.db2.gz DPCXWCOEMGJUFS-CHWSQXEVSA-N -2 3 360.332 1.662 20 0 FDADHL CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H](C)C(=O)[O-] ZINC000852954742 967729612 /nfs/dbraw/zinc/72/96/12/967729612.db2.gz QYCQKWACTZURBC-JTQLQIEISA-N -2 3 360.407 1.448 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1[O-] ZINC001192145818 968962195 /nfs/dbraw/zinc/96/21/95/968962195.db2.gz UBRGUYNVYVHAOB-UHFFFAOYSA-N -3 3 364.379 1.309 20 0 FDADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(=O)N2 ZINC001192150970 968969929 /nfs/dbraw/zinc/96/99/29/968969929.db2.gz WMGBYWCNHBUMRP-QGZVFWFLSA-N -2 3 374.418 1.984 20 0 FDADHL Cc1cnc(=O)[nH]c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194025270 969959940 /nfs/dbraw/zinc/95/99/40/969959940.db2.gz CVCHSOWBTTTWTB-UHFFFAOYSA-N -2 3 361.738 1.782 20 0 FDADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194320712 970102220 /nfs/dbraw/zinc/10/22/20/970102220.db2.gz NTQIRFZZCXVSSQ-UHFFFAOYSA-N -2 3 362.266 1.337 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000863409987 972884288 /nfs/dbraw/zinc/88/42/88/972884288.db2.gz RAOGONDMLBAFAK-ZCFIWIBFSA-N -2 3 361.269 1.295 20 0 FDADHL CCOC(=O)/C=C(\[N-]S(=O)(=O)c1ccccc1C(=O)[O-])C(F)(F)F ZINC001198792161 973533377 /nfs/dbraw/zinc/53/33/77/973533377.db2.gz GVBLYUFWWQPIPW-YFHOEESVSA-N -2 3 367.301 1.672 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc(Oc2cccnc2)nc1 ZINC001199505877 974326530 /nfs/dbraw/zinc/32/65/30/974326530.db2.gz ATMVHPVIZCVVER-UHFFFAOYSA-N -2 3 352.287 1.352 20 0 FDADHL CCc1cccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[O-] ZINC001603975457 974467859 /nfs/dbraw/zinc/46/78/59/974467859.db2.gz MBYRJOHONTXKPG-CYBMUJFWSA-N -2 3 360.410 1.492 20 0 FDADHL CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)no1 ZINC001591734081 975712080 /nfs/dbraw/zinc/71/20/80/975712080.db2.gz DOMNUJUEGWINOF-JTQLQIEISA-N -2 3 361.420 1.230 20 0 FDADHL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001592205267 977237423 /nfs/dbraw/zinc/23/74/23/977237423.db2.gz ODRDMYMTZDGJLL-YVFTVSHDSA-N -2 3 372.418 1.662 20 0 FDADHL C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000849219584 977368232 /nfs/dbraw/zinc/36/82/32/977368232.db2.gz QJWLSDWYQWXABW-CABZTGNLSA-N -2 3 357.819 1.609 20 0 FDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592469903 978215428 /nfs/dbraw/zinc/21/54/28/978215428.db2.gz BWGGDRCZQLYZEN-ZETCQYMHSA-N -3 3 367.782 1.957 20 0 FDADHL C[C@@](CCF)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001592508058 978332372 /nfs/dbraw/zinc/33/23/72/978332372.db2.gz RKZXCACDXGIJOP-LAJNKCICSA-N -2 3 352.409 1.181 20 0 FDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776536249 978983738 /nfs/dbraw/zinc/98/37/38/978983738.db2.gz CHDDIYNYDKOQSQ-JGVFFNPUSA-N -2 3 369.226 1.547 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CC[S@](=O)Cc2ccccc2)cc1C(=O)[O-] ZINC000829287552 978996760 /nfs/dbraw/zinc/99/67/60/978996760.db2.gz VHLSFJZCQUJWAI-QHCPKHFHSA-N -2 3 371.436 1.513 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776541112 978997868 /nfs/dbraw/zinc/99/78/68/978997868.db2.gz XYTLXRDVIALCMZ-GMSGAONNSA-N -2 3 369.226 1.547 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@@H](CCCc2ccccc2)C(=O)[O-])nc1Cl ZINC000776549025 979054310 /nfs/dbraw/zinc/05/43/10/979054310.db2.gz JMMLHMLCHZKNAW-LBPRGKRZSA-N -2 3 371.846 1.828 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1F ZINC000776560893 979246945 /nfs/dbraw/zinc/24/69/45/979246945.db2.gz SSJKNUJVISJBRD-ZETCQYMHSA-N -2 3 351.327 1.283 20 0 FDADHL C[C@H](CO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001592781197 979413665 /nfs/dbraw/zinc/41/36/65/979413665.db2.gz UGDMLGZLMNSEJM-LLVKDONJSA-N -2 3 352.387 1.888 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)NC(=O)OC(C)(C)C ZINC001595170101 979731348 /nfs/dbraw/zinc/73/13/48/979731348.db2.gz KWUOLHBRDQPMHX-JTQLQIEISA-N -2 3 362.404 1.559 20 0 FDADHL C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593002311 980214713 /nfs/dbraw/zinc/21/47/13/980214713.db2.gz FJQMNWDOVSOWKJ-WUHRBBMRSA-N -2 3 363.414 1.758 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1-c1nnn[n-]1 ZINC000826272329 980685121 /nfs/dbraw/zinc/68/51/21/980685121.db2.gz DROYVXZOCSHLIY-UHFFFAOYSA-N -2 3 354.783 1.056 20 0 FDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001594952960 982675235 /nfs/dbraw/zinc/67/52/35/982675235.db2.gz PCGXJCFMAXIPMP-JGVFFNPUSA-N -2 3 350.418 1.097 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-] ZINC001595987212 983236876 /nfs/dbraw/zinc/23/68/76/983236876.db2.gz WDFXNFJHVCRCCM-SECBINFHSA-N -3 3 351.402 1.161 20 0 FDADHL CCN(C(=O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001596142564 983494356 /nfs/dbraw/zinc/49/43/56/983494356.db2.gz DDHKICKIZHMIHA-UHFFFAOYSA-N -2 3 366.395 1.618 20 0 FDADHL CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596528501 984350219 /nfs/dbraw/zinc/35/02/19/984350219.db2.gz VAOZQGQMYBHORY-VIFPVBQESA-N -2 3 362.429 1.408 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001596723758 984972331 /nfs/dbraw/zinc/97/23/31/984972331.db2.gz POBWLOGFCYHPJR-GDLVEWKHSA-N -2 3 371.386 1.534 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)Cn2cccc(C(=O)[O-])c2=O)c([O-])c1 ZINC001596724478 984977418 /nfs/dbraw/zinc/97/74/18/984977418.db2.gz KQKUUUNEMVGDRP-UHFFFAOYSA-N -2 3 360.322 1.068 20 0 FDADHL CCOC(=O)c1nnc(-c2cccc(CNc3ncc(C(=O)[O-])cn3)c2)[n-]1 ZINC001596749453 985087810 /nfs/dbraw/zinc/08/78/10/985087810.db2.gz UAYIINGDDCJULX-UHFFFAOYSA-N -2 3 368.353 1.749 20 0 FDADHL CCOC(=O)c1nc(-c2cccc(CNc3ncc(C(=O)[O-])cn3)c2)n[n-]1 ZINC001596749453 985087824 /nfs/dbraw/zinc/08/78/24/985087824.db2.gz UAYIINGDDCJULX-UHFFFAOYSA-N -2 3 368.353 1.749 20 0 FDADHL C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001589414751 986638430 /nfs/dbraw/zinc/63/84/30/986638430.db2.gz LOKYRCCQZROBCZ-NSHDSACASA-N -2 3 374.397 1.358 20 0 FDADHL C[C@@H]1OC[C@]2(CC[C@H](C[N-]S(=O)(=O)c3occc3C(=O)[O-])O2)[C@H]1C ZINC001594639980 986783742 /nfs/dbraw/zinc/78/37/42/986783742.db2.gz MDBFSZRHIYQFBR-KIGUWFBYSA-N -2 3 359.400 1.229 20 0 FDADHL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c1 ZINC000871950184 987360905 /nfs/dbraw/zinc/36/09/05/987360905.db2.gz AZQPYSACZXFTHP-GFCCVEGCSA-N -2 3 374.409 1.958 20 0 FDADHL CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000871981617 987402459 /nfs/dbraw/zinc/40/24/59/987402459.db2.gz FJCWNXMROVCZEU-SNVBAGLBSA-N -2 3 362.398 1.814 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001597350621 987490733 /nfs/dbraw/zinc/49/07/33/987490733.db2.gz LWVQFZYAYCGZQN-ZETCQYMHSA-N -2 3 350.418 1.240 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(O)cc2)C(=O)[O-])s1 ZINC001597702777 988931966 /nfs/dbraw/zinc/93/19/66/988931966.db2.gz LZPPZWIMQOTNBV-LLVKDONJSA-N -2 3 370.452 1.633 20 0 FDADHL CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC001590035025 989055920 /nfs/dbraw/zinc/05/59/20/989055920.db2.gz PFTHMWDKQIDHDP-ZDUSSCGKSA-N -2 3 364.398 1.928 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001590074337 989161149 /nfs/dbraw/zinc/16/11/49/989161149.db2.gz IOTUQGIEVXYTAG-VIFPVBQESA-N -2 3 360.388 1.266 20 0 FDADHL CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001590626457 990315005 /nfs/dbraw/zinc/31/50/05/990315005.db2.gz SGFYZPPDWTYSEM-SNVBAGLBSA-N -2 3 352.353 1.795 20 0 FDADHL CN(C)C(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC001598155942 990640747 /nfs/dbraw/zinc/64/07/47/990640747.db2.gz APVHCKIESMSUGO-UHFFFAOYSA-N -2 3 354.428 1.775 20 0 FDADHL CN(C)[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001598176353 990728894 /nfs/dbraw/zinc/72/88/94/990728894.db2.gz NZWJMPXRPSAQPF-LLVKDONJSA-N -2 3 373.431 1.562 20 0 FDADHL COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])c1 ZINC001599683563 990949856 /nfs/dbraw/zinc/94/98/56/990949856.db2.gz QNQBGIPQQPRSES-ZZDSUILFSA-N -2 3 356.396 1.414 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](O)c1ccccc1 ZINC001591036435 991364085 /nfs/dbraw/zinc/36/40/85/991364085.db2.gz UMVFLPBDNBXCCI-TZMCWYRMSA-N -2 3 370.452 1.878 20 0 FDADHL CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001591041210 991387470 /nfs/dbraw/zinc/38/74/70/991387470.db2.gz NOIAJERPHCPQRN-SSDOTTSWSA-N -2 3 370.221 1.426 20 0 FDADHL CN1Cc2ccccc2[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598630362 994164308 /nfs/dbraw/zinc/16/43/08/994164308.db2.gz FXMFTBWCTSRPQZ-LLVKDONJSA-N -2 3 353.425 1.306 20 0 FDADHL COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N(C)C)c1 ZINC001599657129 994600121 /nfs/dbraw/zinc/60/01/21/994600121.db2.gz HWVDFAQWWJPYPP-CQSZACIVSA-N -2 3 368.411 1.568 20 0 FDADHL COc1cccc(C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(=O)[O-])c1 ZINC001599668610 994772550 /nfs/dbraw/zinc/77/25/50/994772550.db2.gz JAKDJFDNVCLQOQ-CQSZACIVSA-N -2 3 357.366 1.494 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])ccc1F ZINC001598674467 994817695 /nfs/dbraw/zinc/81/76/95/994817695.db2.gz QLMKGGBTPBBJHY-YPMHNXCESA-N -2 3 372.418 1.497 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001593347464 994957202 /nfs/dbraw/zinc/95/72/02/994957202.db2.gz LRHVQTHBSHRMHR-QSIZCVBASA-N -2 3 374.465 1.618 20 0 FDADHL 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PSTXLYCBCKFUNY-AAEUAGOBSA-N -2 3 351.384 1.307 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(=O)[O-] ZINC000569522093 548948256 /nfs/dbraw/zinc/94/82/56/548948256.db2.gz YJPZLNUTDAEDSM-QMMMGPOBSA-N -2 3 359.297 1.613 20 0 FDADHL COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCC(=O)[O-])n2)c1 ZINC000570088322 549154663 /nfs/dbraw/zinc/15/46/63/549154663.db2.gz DWIWPJHDCHYDDJ-JTQLQIEISA-N -2 3 369.399 1.590 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000570276082 549220810 /nfs/dbraw/zinc/22/08/10/549220810.db2.gz CGGLDTCODCPUNQ-GFCCVEGCSA-N -2 3 355.391 1.264 20 0 FDADHL C[C@]1(c2ccc(CN=c3[n-]nc(-c4ccon4)s3)cc2)NC(=O)[N-]C1=O ZINC000570951536 549473517 /nfs/dbraw/zinc/47/35/17/549473517.db2.gz BLLMQTRAPCAUMV-MRXNPFEDSA-N -2 3 370.394 1.860 20 0 FDADHL Cc1nc(C)c(CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(=O)[n-]1 ZINC000571641667 549717583 /nfs/dbraw/zinc/71/75/83/549717583.db2.gz LTXIRLSDZJWFHN-OAHLLOKOSA-N -2 3 357.410 1.934 20 0 FDADHL C[C@H]1C[C@H](S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)CCO1 ZINC000572770056 549990613 /nfs/dbraw/zinc/99/06/13/549990613.db2.gz FWMUGBIJEZFNDL-SMDDNHRTSA-N -2 3 370.427 1.200 20 0 FDADHL Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])nc1=N ZINC000573212789 550088873 /nfs/dbraw/zinc/08/88/73/550088873.db2.gz IUWXRIXNSCMRSK-JTQLQIEISA-N -2 3 366.219 1.673 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000573973538 550240403 /nfs/dbraw/zinc/24/04/03/550240403.db2.gz LMCZSSKPYRBBDC-GXSJLCMTSA-N -2 3 360.457 1.032 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(F)c1 ZINC000574362742 550301881 /nfs/dbraw/zinc/30/18/81/550301881.db2.gz JQFMDYUBVWGIEQ-LLVKDONJSA-N -2 3 351.355 1.978 20 0 FDADHL CC(C)(CC(=O)NC(C)(C)CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000574478513 550321273 /nfs/dbraw/zinc/32/12/73/550321273.db2.gz GKMUEDCDEARYJE-UHFFFAOYSA-N -2 3 374.434 1.642 20 0 FDADHL CCOc1nc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)cc2[n-]1 ZINC000576194031 550521352 /nfs/dbraw/zinc/52/13/52/550521352.db2.gz QAPUYXRMJLIGLQ-LLVKDONJSA-N -2 3 356.386 1.805 20 0 FDADHL CCOc1nc2cc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)ccc2[n-]1 ZINC000576194031 550521353 /nfs/dbraw/zinc/52/13/53/550521353.db2.gz QAPUYXRMJLIGLQ-LLVKDONJSA-N -2 3 356.386 1.805 20 0 FDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000576385347 550542940 /nfs/dbraw/zinc/54/29/40/550542940.db2.gz BVOVETLXNSSSBJ-JOYOIKCWSA-N -2 3 351.808 1.241 20 0 FDADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000576548923 550561433 /nfs/dbraw/zinc/56/14/33/550561433.db2.gz LPZFJLMOZOJBCN-SSDOTTSWSA-N -2 3 364.807 1.449 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)c(F)c1 ZINC000576723490 550579197 /nfs/dbraw/zinc/57/91/97/550579197.db2.gz LQFMSUQLBDEETL-UHFFFAOYSA-N -2 3 356.379 1.183 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)s1 ZINC000576739971 550581096 /nfs/dbraw/zinc/58/10/96/550581096.db2.gz KTMAMUYHNFRYJG-SSDOTTSWSA-N -2 3 371.383 1.098 20 0 FDADHL Cc1ccc(F)c(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)c1 ZINC000577600376 550673717 /nfs/dbraw/zinc/67/37/17/550673717.db2.gz GACPEPPSMRIEGF-UHFFFAOYSA-N -2 3 356.379 1.183 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000579833304 550915338 /nfs/dbraw/zinc/91/53/38/550915338.db2.gz SULGOLVUDNAYND-LURJTMIESA-N -2 3 359.335 1.263 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c3ccncc3)cn21 ZINC000579972886 550929876 /nfs/dbraw/zinc/92/98/76/550929876.db2.gz NSKISXVMTGTXON-DGCLKSJQSA-N -2 3 364.427 1.670 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c3ccncc3)cn21 ZINC000579972888 550929934 /nfs/dbraw/zinc/92/99/34/550929934.db2.gz NSKISXVMTGTXON-YPMHNXCESA-N -2 3 364.427 1.670 20 0 FDADHL COc1cc2c(cc1S(=O)(=O)[N-]c1cccc([O-])c1F)OCC(=O)N2 ZINC000580927876 551033206 /nfs/dbraw/zinc/03/32/06/551033206.db2.gz ZQYYMFZVIWLENL-UHFFFAOYSA-N -2 3 368.342 1.672 20 0 FDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000582836201 551272060 /nfs/dbraw/zinc/27/20/60/551272060.db2.gz QTQVIVYDDLDICO-ZETCQYMHSA-N -2 3 372.624 1.216 20 0 FDADHL O=C([O-])C1(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)Cc2ccccc2C1 ZINC000583359073 551339592 /nfs/dbraw/zinc/33/95/92/551339592.db2.gz HGAXVTOKKMDSNW-UHFFFAOYSA-N -2 3 365.345 1.314 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c3ccccc3)cn21 ZINC000583983375 551430243 /nfs/dbraw/zinc/43/02/43/551430243.db2.gz LFZWYRZPCOBDOH-GXTWGEPZSA-N -2 3 363.439 1.927 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(F)cc2F)c1 ZINC000584468077 551501828 /nfs/dbraw/zinc/50/18/28/551501828.db2.gz XHKUQFFBCXCPPO-CYBMUJFWSA-N -2 3 359.354 1.846 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000584505717 551507752 /nfs/dbraw/zinc/50/77/52/551507752.db2.gz AQRXXTDNPMELLO-ZETCQYMHSA-N -2 3 372.624 1.480 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592352939 551983856 /nfs/dbraw/zinc/98/38/56/551983856.db2.gz KORRJKDYLADOAI-SNVBAGLBSA-N -2 3 362.404 1.001 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000592447637 551997124 /nfs/dbraw/zinc/99/71/24/551997124.db2.gz XEQAZKFDEKJHKP-WDEREUQCSA-N -2 3 361.441 1.385 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cnn(-c4ccccc4)c3)ccc21 ZINC000597681758 552821415 /nfs/dbraw/zinc/82/14/15/552821415.db2.gz HAZNPYBQNHDWJP-UHFFFAOYSA-N -2 3 368.374 1.557 20 0 FDADHL CC1(C)C[C@H](S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@H](O)C(=O)[O-])CO1 ZINC000600658235 553293274 /nfs/dbraw/zinc/29/32/74/553293274.db2.gz KNPKGUNSOBDUIG-IHRRRGAJSA-N -2 3 363.476 1.258 20 0 FDADHL CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000603446888 553789795 /nfs/dbraw/zinc/78/97/95/553789795.db2.gz LNBFBHFQCFSBOI-ZDUSSCGKSA-N -2 3 368.484 1.063 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c[n-]1 ZINC000618906323 555693995 /nfs/dbraw/zinc/69/39/95/555693995.db2.gz GFPASMUKKPJEQY-UHFFFAOYSA-N -2 3 353.356 1.174 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)[n-]1 ZINC000618906323 555693998 /nfs/dbraw/zinc/69/39/98/555693998.db2.gz GFPASMUKKPJEQY-UHFFFAOYSA-N -2 3 353.356 1.174 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000621567526 556113323 /nfs/dbraw/zinc/11/33/23/556113323.db2.gz WRRQYRQSFLNGBP-CYBMUJFWSA-N -2 3 358.391 1.667 20 0 FDADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1nn[n-]c1-c1ccccc1 ZINC000629103141 557726727 /nfs/dbraw/zinc/72/67/27/557726727.db2.gz NBEUSPZEHQQJIP-UHFFFAOYSA-N -2 3 356.411 1.891 20 0 FDADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1[n-]nnc1-c1ccccc1 ZINC000629103141 557726728 /nfs/dbraw/zinc/72/67/28/557726728.db2.gz NBEUSPZEHQQJIP-UHFFFAOYSA-N -2 3 356.411 1.891 20 0 FDADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1n[n-]nc1-c1ccccc1 ZINC000629103141 557726729 /nfs/dbraw/zinc/72/67/29/557726729.db2.gz NBEUSPZEHQQJIP-UHFFFAOYSA-N -2 3 356.411 1.891 20 0 FDADHL Cc1nc(C)c(CCC(=O)N=c2nc(C3CCOCC3)[n-]s2)c(=O)[n-]1 ZINC000630025833 557874426 /nfs/dbraw/zinc/87/44/26/557874426.db2.gz POXXTRIRUPWDED-UHFFFAOYSA-N -2 3 363.443 1.538 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630324908 557897902 /nfs/dbraw/zinc/89/79/02/557897902.db2.gz LVPGZRFKQJAYSN-NAUIOFCNSA-N -2 3 358.441 1.023 20 0 FDADHL Cc1cc(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)oc1C(=O)[O-] ZINC000630329931 557898195 /nfs/dbraw/zinc/89/81/95/557898195.db2.gz SZZCFDWGJKUGGT-SECBINFHSA-N -2 3 372.424 1.331 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@H]1CCOC1 ZINC000630414520 557906833 /nfs/dbraw/zinc/90/68/33/557906833.db2.gz UXMQDTIUJCFUFD-RCOVLWMOSA-N -2 3 370.246 1.279 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)[C@@H]1CCCO1 ZINC000630425986 557908509 /nfs/dbraw/zinc/90/85/09/557908509.db2.gz XADFZVIFTZSJHZ-RYUDHWBXSA-N -2 3 351.783 1.531 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCC1 ZINC000630447002 557910440 /nfs/dbraw/zinc/91/04/40/557910440.db2.gz NHXAGNWVQKWUFO-UHFFFAOYSA-N -2 3 369.262 1.580 20 0 FDADHL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000735662850 598842950 /nfs/dbraw/zinc/84/29/50/598842950.db2.gz YXXOYFGIKNOSPS-UHFFFAOYSA-N -2 3 365.394 1.758 20 0 FDADHL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000735662850 598842952 /nfs/dbraw/zinc/84/29/52/598842952.db2.gz YXXOYFGIKNOSPS-UHFFFAOYSA-N -2 3 365.394 1.758 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338222 598845902 /nfs/dbraw/zinc/84/59/02/598845902.db2.gz DRXSNJUYBNHKDP-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338222 598845903 /nfs/dbraw/zinc/84/59/03/598845903.db2.gz DRXSNJUYBNHKDP-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000738140894 598856232 /nfs/dbraw/zinc/85/62/32/598856232.db2.gz YUQHXTBQIMIGHI-UHFFFAOYSA-N -2 3 369.362 1.732 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000738140894 598856233 /nfs/dbraw/zinc/85/62/33/598856233.db2.gz YUQHXTBQIMIGHI-UHFFFAOYSA-N -2 3 369.362 1.732 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000736778845 598909617 /nfs/dbraw/zinc/90/96/17/598909617.db2.gz GUUNTETXUWMLRA-UHFFFAOYSA-N -2 3 363.378 1.268 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736778845 598909619 /nfs/dbraw/zinc/90/96/19/598909619.db2.gz GUUNTETXUWMLRA-UHFFFAOYSA-N -2 3 363.378 1.268 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736634996 598948468 /nfs/dbraw/zinc/94/84/68/598948468.db2.gz PEVHAUHOUGOPBJ-GFCCVEGCSA-N -2 3 367.431 1.576 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1-c1nnn[n-]1 ZINC000822122114 607255057 /nfs/dbraw/zinc/25/50/57/607255057.db2.gz JWKWZOMWTYCSHB-UHFFFAOYSA-N -3 3 365.396 1.736 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1-c1nn[n-]n1 ZINC000822122114 607255058 /nfs/dbraw/zinc/25/50/58/607255058.db2.gz JWKWZOMWTYCSHB-UHFFFAOYSA-N -3 3 365.396 1.736 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)nc1Cl ZINC000822684738 607255540 /nfs/dbraw/zinc/25/55/40/607255540.db2.gz GJJSETLGJPWBHR-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)nc1Cl ZINC000822684738 607255541 /nfs/dbraw/zinc/25/55/41/607255541.db2.gz GJJSETLGJPWBHR-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1sccc1-c1nnn[n-]1 ZINC000738139674 599026005 /nfs/dbraw/zinc/02/60/05/599026005.db2.gz MZZWVLPAQRVGGM-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1sccc1-c1nn[n-]n1 ZINC000738139674 599026007 /nfs/dbraw/zinc/02/60/07/599026007.db2.gz MZZWVLPAQRVGGM-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC=CC1 ZINC000738139192 599028909 /nfs/dbraw/zinc/02/89/09/599028909.db2.gz MDRKNUUNYLLVJQ-UHFFFAOYSA-N -2 3 353.791 1.291 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC=CC1 ZINC000738139192 599028912 /nfs/dbraw/zinc/02/89/12/599028912.db2.gz MDRKNUUNYLLVJQ-UHFFFAOYSA-N -2 3 353.791 1.291 20 0 FDADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824795561 607777805 /nfs/dbraw/zinc/77/78/05/607777805.db2.gz AAUHSPJNSUIIFP-VIFPVBQESA-N -2 3 355.807 1.371 20 0 FDADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824795561 607777806 /nfs/dbraw/zinc/77/78/06/607777806.db2.gz AAUHSPJNSUIIFP-VIFPVBQESA-N -2 3 355.807 1.371 20 0 FDADHL CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000769560492 597190632 /nfs/dbraw/zinc/19/06/32/597190632.db2.gz LITPOMIVZCTIAE-CYBMUJFWSA-N -2 3 358.391 1.105 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818985527 597498758 /nfs/dbraw/zinc/49/87/58/597498758.db2.gz ISLLKLGCQMYFTF-CYBMUJFWSA-N -2 3 356.382 1.006 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798711 599284221 /nfs/dbraw/zinc/28/42/21/599284221.db2.gz UISCYBWRCPUXRH-IZZDOVSWSA-N -2 3 361.427 1.808 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798711 599284222 /nfs/dbraw/zinc/28/42/22/599284222.db2.gz UISCYBWRCPUXRH-IZZDOVSWSA-N -2 3 361.427 1.808 20 0 FDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738338015 599286814 /nfs/dbraw/zinc/28/68/14/599286814.db2.gz BMVHZGXTBCIYLY-UHFFFAOYSA-N -2 3 364.412 1.197 20 0 FDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738338015 599286817 /nfs/dbraw/zinc/28/68/17/599286817.db2.gz BMVHZGXTBCIYLY-UHFFFAOYSA-N -2 3 364.412 1.197 20 0 FDADHL CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735797355 598415995 /nfs/dbraw/zinc/41/59/95/598415995.db2.gz NRJOBJZJCYYYQO-UHFFFAOYSA-N -2 3 357.823 1.761 20 0 FDADHL CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735797355 598415996 /nfs/dbraw/zinc/41/59/96/598415996.db2.gz NRJOBJZJCYYYQO-UHFFFAOYSA-N -2 3 357.823 1.761 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000738138578 598416980 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Cc1nc(SCC(=O)N(C)CCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454624 607109170 /nfs/dbraw/zinc/10/91/70/607109170.db2.gz ZOZYMJFSGGSHFG-UHFFFAOYSA-N -2 3 364.431 1.212 20 0 FDADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821727860 607122444 /nfs/dbraw/zinc/12/24/44/607122444.db2.gz PAWYWNMFUAAHAD-UHFFFAOYSA-N -2 3 362.371 1.080 20 0 FDADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821727860 607122445 /nfs/dbraw/zinc/12/24/45/607122445.db2.gz PAWYWNMFUAAHAD-UHFFFAOYSA-N -2 3 362.371 1.080 20 0 FDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821469366 607156480 /nfs/dbraw/zinc/15/64/80/607156480.db2.gz DHGYFFMFUPVGCS-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821469366 607156482 /nfs/dbraw/zinc/15/64/82/607156482.db2.gz DHGYFFMFUPVGCS-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000826280289 608010760 /nfs/dbraw/zinc/01/07/60/608010760.db2.gz WFBDLSOWCBMWIS-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000826280289 608010761 /nfs/dbraw/zinc/01/07/61/608010761.db2.gz WFBDLSOWCBMWIS-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825097806 608075620 /nfs/dbraw/zinc/07/56/20/608075620.db2.gz YZXRMNFNESWLSM-NSHDSACASA-N -2 3 365.459 1.885 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825097806 608075621 /nfs/dbraw/zinc/07/56/21/608075621.db2.gz YZXRMNFNESWLSM-NSHDSACASA-N -2 3 365.459 1.885 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc2n[nH]cc21 ZINC000826271555 608267528 /nfs/dbraw/zinc/26/75/28/608267528.db2.gz WWIHFPMNOGCGOO-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL CC(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000824358211 609340656 /nfs/dbraw/zinc/34/06/56/609340656.db2.gz BZEDVWYCBBUPSZ-UHFFFAOYSA-N -2 3 369.794 1.827 20 0 FDADHL CC(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000824358211 609340658 /nfs/dbraw/zinc/34/06/58/609340658.db2.gz BZEDVWYCBBUPSZ-UHFFFAOYSA-N -2 3 369.794 1.827 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000275010266 674601114 /nfs/dbraw/zinc/60/11/14/674601114.db2.gz NEJOYSNOXKYWAD-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052793396 671179188 /nfs/dbraw/zinc/17/91/88/671179188.db2.gz FMFHQKNGYLRXEV-UHFFFAOYSA-N -2 3 352.416 1.093 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000278745243 675188924 /nfs/dbraw/zinc/18/89/24/675188924.db2.gz QRRIBYRKGGWHSH-SECBINFHSA-N -3 3 370.210 1.980 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000064375437 671325165 /nfs/dbraw/zinc/32/51/65/671325165.db2.gz VBWYXCSHURTRNJ-UHFFFAOYSA-N -2 3 362.411 1.698 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CN1C1CC1 ZINC000185104689 672255668 /nfs/dbraw/zinc/25/56/68/672255668.db2.gz UKVFLCBJZYCYPD-IUCAKERBSA-N -2 3 360.382 1.567 20 0 FDADHL CCn1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C1CC1 ZINC000267472288 673307588 /nfs/dbraw/zinc/30/75/88/673307588.db2.gz QWDGOKOEGGYDNB-UHFFFAOYSA-N -2 3 360.395 1.465 20 0 FDADHL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000372228471 677873257 /nfs/dbraw/zinc/87/32/57/677873257.db2.gz SRRRJXUCXBMDOH-UHFFFAOYSA-N -2 3 361.383 1.685 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CCCC(=O)[O-])cc1OC ZINC000417731587 679927035 /nfs/dbraw/zinc/92/70/35/679927035.db2.gz GBYUIMVYVOPDHC-UHFFFAOYSA-N -2 3 373.431 1.785 20 0 FDADHL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433500422 681197056 /nfs/dbraw/zinc/19/70/56/681197056.db2.gz XEEAGNBEIXNOIH-UHFFFAOYSA-N -3 3 370.770 1.644 20 0 FDADHL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000433507629 681197354 /nfs/dbraw/zinc/19/73/54/681197354.db2.gz SEXHHMFZSPAEIW-UHFFFAOYSA-N -3 3 351.384 1.979 20 0 FDADHL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C(F)(F)F ZINC000436174845 681673297 /nfs/dbraw/zinc/67/32/97/681673297.db2.gz XCQXFOJYKPZBQS-UHFFFAOYSA-N -2 3 374.300 1.123 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1F ZINC000489754756 687112955 /nfs/dbraw/zinc/11/29/55/687112955.db2.gz SUPBFJITOZPNGP-UHFFFAOYSA-N -2 3 355.343 1.696 20 0 FDADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000502465286 688272588 /nfs/dbraw/zinc/27/25/88/688272588.db2.gz QJXQDLMWLFMRGI-UHFFFAOYSA-N -2 3 356.310 1.340 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C)c(=O)n(C)c2)c1 ZINC000512728715 689635358 /nfs/dbraw/zinc/63/53/58/689635358.db2.gz HPKAYJHIYZHGQR-UHFFFAOYSA-N -2 3 354.359 1.640 20 0 FDADHL O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[N-]S(=O)(=O)c1ccco1 ZINC000514982620 689796508 /nfs/dbraw/zinc/79/65/08/689796508.db2.gz YZRZHXQNZXSPJV-ZDUSSCGKSA-N -2 3 352.343 1.874 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000515515489 689867899 /nfs/dbraw/zinc/86/78/99/689867899.db2.gz OORAWCSZTWMBEX-MRVPVSSYSA-N -2 3 357.409 1.829 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4ccncc43)ccc21 ZINC000531781662 694849775 /nfs/dbraw/zinc/84/97/75/694849775.db2.gz RTXSRKXIPYKTLO-UHFFFAOYSA-N -2 3 353.359 1.919 20 0 FDADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897060 768822127 /nfs/dbraw/zinc/82/21/27/768822127.db2.gz CGNPQXIGJVKDCQ-VIFPVBQESA-N -2 3 366.436 1.438 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cn1 ZINC000656179866 774054740 /nfs/dbraw/zinc/05/47/40/774054740.db2.gz BUCJKLYUNPNUDR-KCJUWKMLSA-N -2 3 368.333 1.558 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)F ZINC000684598372 780593823 /nfs/dbraw/zinc/59/38/23/780593823.db2.gz WLFVWQWCZLXWKG-UHFFFAOYSA-N -2 3 360.379 1.519 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCC1 ZINC000663257671 806224506 /nfs/dbraw/zinc/22/45/06/806224506.db2.gz XJBLXHYYGWQZDC-VIFPVBQESA-N -2 3 352.334 1.880 20 0 FDADHL Cc1cn(C)nc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000663264669 806252308 /nfs/dbraw/zinc/25/23/08/806252308.db2.gz HRMHJMZOFONYLY-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)nc2)n1 ZINC000662885917 804016508 /nfs/dbraw/zinc/01/65/08/804016508.db2.gz ONJNEQYYPHEXOX-KZULUSFZSA-N -2 3 356.382 1.344 20 0 FDADHL O=C([O-])[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CCCC1 ZINC000663084578 805367741 /nfs/dbraw/zinc/36/77/41/805367741.db2.gz XMFRKNSUMBVPES-MRXNPFEDSA-N -2 3 360.410 1.568 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2c(C)nn(C)c2C)oc1C(=O)[O-] ZINC000663424129 806992169 /nfs/dbraw/zinc/99/21/69/806992169.db2.gz MQVOAVHXDJWBDP-SECBINFHSA-N -2 3 355.416 1.546 20 0 FDADHL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000442315723 821133284 /nfs/dbraw/zinc/13/32/84/821133284.db2.gz MPJPXJWMXNKUMX-UHFFFAOYSA-N -2 3 373.394 1.844 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC000899546544 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1.655 20 0 FDADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000787934185 932477177 /nfs/dbraw/zinc/47/71/77/932477177.db2.gz HHCNLVFRTVFTRX-ZETCQYMHSA-N -2 3 370.246 1.530 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c[n-]1 ZINC000789741064 933173797 /nfs/dbraw/zinc/17/37/97/933173797.db2.gz TVWSEFZOPKHVDO-UHFFFAOYSA-N -2 3 369.790 1.688 20 0 FDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000790037584 933306224 /nfs/dbraw/zinc/30/62/24/933306224.db2.gz PRXPGOQBTDKMGE-LURJTMIESA-N -2 3 361.246 1.143 20 0 FDADHL C[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788736 938823726 /nfs/dbraw/zinc/82/37/26/938823726.db2.gz NUKIISONKUSFCT-BHDSKKPTSA-N -2 3 371.363 1.300 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCOCC1 ZINC000806633931 939992303 /nfs/dbraw/zinc/99/23/03/939992303.db2.gz AQCGLGAOCFDUTD-SNVBAGLBSA-N -2 3 368.333 1.259 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c(F)cc1F ZINC001195248995 970792928 /nfs/dbraw/zinc/79/29/28/970792928.db2.gz NKVVRBCAJOZVBU-DZGCQCFKSA-N -2 3 369.345 1.600 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccncc2)c(F)cc1F ZINC001195267740 970804162 /nfs/dbraw/zinc/80/41/62/970804162.db2.gz FPAOADGHWOBXSF-GFCCVEGCSA-N -2 3 358.322 1.070 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)ccc1C ZINC000823999452 946539112 /nfs/dbraw/zinc/53/91/12/946539112.db2.gz AYVVEHCVTNSNJS-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CCC(CC)(CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825089942 947075391 /nfs/dbraw/zinc/07/53/91/947075391.db2.gz PWFCNYXYDSWUNE-NSHDSACASA-N -2 3 361.402 1.641 20 0 FDADHL O=Cc1ccc(-c2ccc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c([O-])c2)o1 ZINC001144255229 948498492 /nfs/dbraw/zinc/49/84/92/948498492.db2.gz SQOHOEXGLHPSGS-OAHLLOKOSA-N -2 3 369.337 1.192 20 0 FDADHL CC(C)(C(=O)[N-]OCc1ccccn1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573783177 949142536 /nfs/dbraw/zinc/14/25/36/949142536.db2.gz WFCJCBLGBFXPPH-UHFFFAOYSA-N -2 3 356.361 1.926 20 0 FDADHL CC(C)(C(=O)[N-]OCc1ccccn1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573783177 949142552 /nfs/dbraw/zinc/14/25/52/949142552.db2.gz WFCJCBLGBFXPPH-UHFFFAOYSA-N -2 3 356.361 1.926 20 0 FDADHL Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1nccc(Br)c1[O-] ZINC001571012518 951267534 /nfs/dbraw/zinc/26/75/34/951267534.db2.gz NWTCRGLEBQQSCI-UHFFFAOYSA-N -2 3 364.163 1.619 20 0 FDADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1nccc(Br)c1[O-] ZINC001571012518 951267541 /nfs/dbraw/zinc/26/75/41/951267541.db2.gz NWTCRGLEBQQSCI-UHFFFAOYSA-N -2 3 364.163 1.619 20 0 FDADHL CCOC(=O)c1[n-]c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)nc1Cl ZINC001571020059 951380626 /nfs/dbraw/zinc/38/06/26/951380626.db2.gz CCWDKBGLHAARKK-UHFFFAOYSA-N -2 3 365.737 1.574 20 0 FDADHL O=S(=O)(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[O-] ZINC001571020636 951391879 /nfs/dbraw/zinc/39/18/79/951391879.db2.gz QQSVXQILQQCZSV-UHFFFAOYSA-N -2 3 365.802 1.704 20 0 FDADHL O=S(=O)(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[O-] ZINC001571020636 951391890 /nfs/dbraw/zinc/39/18/90/951391890.db2.gz QQSVXQILQQCZSV-UHFFFAOYSA-N -2 3 365.802 1.704 20 0 FDADHL O=C([O-])Cn1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1=O ZINC001595156660 952170195 /nfs/dbraw/zinc/17/01/95/952170195.db2.gz NJRGIPYEAQDXFW-UHFFFAOYSA-N -2 3 367.155 1.653 20 0 FDADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001594737225 957083434 /nfs/dbraw/zinc/08/34/34/957083434.db2.gz NWMPRFVVCMHARK-KRWDZBQOSA-N -2 3 354.362 1.333 20 0 FDADHL CON(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H](C)C(=O)[O-] ZINC001594040389 957862780 /nfs/dbraw/zinc/86/27/80/957862780.db2.gz LMOPMZIMSVCBCA-SSDOTTSWSA-N -2 3 369.171 1.767 20 0 FDADHL C[C@H](CO[N-]C(=O)C1(CC(=O)[O-])CCOCC1)NC(=O)OC(C)(C)C ZINC001603199101 972300403 /nfs/dbraw/zinc/30/04/03/972300403.db2.gz BVVMDSAAAKTJQJ-LLVKDONJSA-N -2 3 360.407 1.219 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001588526650 958860620 /nfs/dbraw/zinc/86/06/20/958860620.db2.gz SVBMRDYKFKGMTQ-LLVKDONJSA-N -2 3 373.387 1.345 20 0 FDADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221593 960681775 /nfs/dbraw/zinc/68/17/75/960681775.db2.gz MYYSVKGFEMUDKS-UHFFFAOYSA-N -2 3 367.782 1.797 20 0 FDADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC001573820395 960948140 /nfs/dbraw/zinc/94/81/40/960948140.db2.gz KSCYHOPHFMDIPB-INIZCTEOSA-N -2 3 372.418 1.451 20 0 FDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC001573901466 961429872 /nfs/dbraw/zinc/42/98/72/961429872.db2.gz VJOXDDVJSMCCAO-UHFFFAOYSA-N -2 3 373.431 1.351 20 0 FDADHL CC(C)(C)OC(=O)N[C@H](CC(=O)NCCCCP(=O)([O-])[O-])C1CC1 ZINC001183683087 963220875 /nfs/dbraw/zinc/22/08/75/963220875.db2.gz SIVCJJQXIMASAC-GFCCVEGCSA-N -2 3 364.379 1.754 20 0 FDADHL CCc1nnc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cn21 ZINC001185567876 963981081 /nfs/dbraw/zinc/98/10/81/963981081.db2.gz IEMUASHXURTQFN-UHFFFAOYSA-N -2 3 370.398 1.273 20 0 FDADHL O=S(=O)([N-]c1cc(F)cc(F)c1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC001185612331 964006116 /nfs/dbraw/zinc/00/61/16/964006116.db2.gz HYMAEVUSOUCASB-UHFFFAOYSA-N -2 3 367.337 1.438 20 0 FDADHL CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]c2ncccc2[O-])CC1 ZINC001185721315 964072358 /nfs/dbraw/zinc/07/23/58/964072358.db2.gz SBXPVRLLBNEVEI-UHFFFAOYSA-N -2 3 357.432 1.928 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1F ZINC000774920174 964085247 /nfs/dbraw/zinc/08/52/47/964085247.db2.gz UZIBXJOCINRUSC-UHFFFAOYSA-N -2 3 372.378 1.083 20 0 FDADHL CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185909360 964188308 /nfs/dbraw/zinc/18/83/08/964188308.db2.gz SPKURIORAHJCAI-UHFFFAOYSA-N -2 3 366.370 1.993 20 0 FDADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)[n-]1 ZINC001186939020 964853045 /nfs/dbraw/zinc/85/30/45/964853045.db2.gz LVJNZLKKGFIMPD-UHFFFAOYSA-N -2 3 370.390 1.873 20 0 FDADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188084317 965997666 /nfs/dbraw/zinc/99/76/66/965997666.db2.gz JMDNNEJVKBVAPP-UHFFFAOYSA-N -2 3 363.159 1.625 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1[O-] ZINC001188322413 966199461 /nfs/dbraw/zinc/19/94/61/966199461.db2.gz FMRBOJMFLLXKSD-UHFFFAOYSA-N -3 3 370.770 1.644 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000776596603 967353436 /nfs/dbraw/zinc/35/34/36/967353436.db2.gz KOTWGXTZWYIXGY-KGLIPLIRSA-N -2 3 373.789 1.944 20 0 FDADHL CCCCOC(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852732983 967558644 /nfs/dbraw/zinc/55/86/44/967558644.db2.gz KIGPAMMLWFYWIB-ZYHUDNBSSA-N -2 3 368.352 1.316 20 0 FDADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)(F)F ZINC000853071344 967806315 /nfs/dbraw/zinc/80/63/15/967806315.db2.gz INZREQJPJUOGKE-ZETCQYMHSA-N -2 3 367.305 1.544 20 0 FDADHL O=C([N-]CCNC(=O)c1cc([O-])cc(F)c1F)C(F)(F)Br ZINC001192684326 969230539 /nfs/dbraw/zinc/23/05/39/969230539.db2.gz NDWOBMHAIPLDCC-UHFFFAOYSA-N -2 3 373.100 1.504 20 0 FDADHL O=C(NC1CC(=O)C1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283996 969612651 /nfs/dbraw/zinc/61/26/51/969612651.db2.gz NYMYSBNEFJHFLU-UHFFFAOYSA-N -2 3 360.391 1.654 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c(F)cc1F ZINC001195186799 970729362 /nfs/dbraw/zinc/72/93/62/970729362.db2.gz NKJDAGGRJUNVBQ-ZDUSSCGKSA-N -2 3 357.334 1.675 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc3c2CCC3)c(F)cc1F ZINC001195195204 970758692 /nfs/dbraw/zinc/75/86/92/970758692.db2.gz SHHUFNWQDYIWAV-UHFFFAOYSA-N -2 3 354.334 1.769 20 0 FDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001603322684 972653898 /nfs/dbraw/zinc/65/38/98/972653898.db2.gz QDMOJTPSGSGYCN-LKFCYVNXSA-N -2 3 350.337 1.404 20 0 FDADHL COCc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC001604640948 973774966 /nfs/dbraw/zinc/77/49/66/973774966.db2.gz WUGLQQUSCDCXMY-KGLIPLIRSA-N -2 3 374.359 1.929 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1 ZINC000794759705 973873500 /nfs/dbraw/zinc/87/35/00/973873500.db2.gz HJIBBRNJUHOFJC-SNVBAGLBSA-N -2 3 361.391 1.782 20 0 FDADHL CCCc1cc(=O)[n-]c(SCC(=O)CC[N-]C(=O)C(F)(F)F)n1 ZINC000865343456 974247213 /nfs/dbraw/zinc/24/72/13/974247213.db2.gz KDIGYNDNUDBQFT-UHFFFAOYSA-N -2 3 351.350 1.865 20 0 FDADHL COc1ccc(Cn2cnc(C(=O)NCCCCP(=O)([O-])[O-])c2)cc1 ZINC001199482576 974317913 /nfs/dbraw/zinc/31/79/13/974317913.db2.gz IZYRHIBWQWHUGT-UHFFFAOYSA-N -2 3 367.342 1.628 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cncc(OCC2CCOCC2)c1 ZINC001199533086 974357687 /nfs/dbraw/zinc/35/76/87/974357687.db2.gz QVZJBLJSPKAFQO-UHFFFAOYSA-N -2 3 372.358 1.575 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CC2)ccc1F ZINC001591669712 975429637 /nfs/dbraw/zinc/42/96/37/975429637.db2.gz YKHOVKVBHDMSPG-UHFFFAOYSA-N -2 3 358.391 1.250 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c1 ZINC000848676073 976991147 /nfs/dbraw/zinc/99/11/47/976991147.db2.gz NGVWVDACIXRQIE-SECBINFHSA-N -2 3 361.391 1.700 20 0 FDADHL C[C@@](CC(=O)[O-])(NC(=O)c1nnc2ccccc2c1[O-])c1ccncc1 ZINC001592319138 977708520 /nfs/dbraw/zinc/70/85/20/977708520.db2.gz AKHFGIGDRRXVPJ-SFHVURJKSA-N -2 3 352.350 1.850 20 0 FDADHL C[C@](CNC(=O)CNC(=O)c1ccc([O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001592653642 978634124 /nfs/dbraw/zinc/63/41/24/978634124.db2.gz JVVLCFRZAAVCJR-LJQANCHMSA-N -2 3 356.378 1.281 20 0 FDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000776504399 978750892 /nfs/dbraw/zinc/75/08/92/978750892.db2.gz GIZMOFMVYQTGIG-BYPYZUCNSA-N -2 3 359.763 1.436 20 0 FDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000776613333 978758442 /nfs/dbraw/zinc/75/84/42/978758442.db2.gz AJWLGZTYZYPWJT-SFYZADRCSA-N -2 3 350.418 1.097 20 0 FDADHL O=C([O-])[C@@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCOC1 ZINC000851601733 978970921 /nfs/dbraw/zinc/97/09/21/978970921.db2.gz MUKOCKOBSPCGQW-GFCCVEGCSA-N -2 3 364.142 1.901 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)ccc1F ZINC000851626281 978977326 /nfs/dbraw/zinc/97/73/26/978977326.db2.gz OWDFCLDDSLRPQE-XYPYZODXSA-N -2 3 372.418 1.496 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](CC1CCCC1)C(=O)[O-] ZINC000776553441 979222386 /nfs/dbraw/zinc/22/23/86/979222386.db2.gz VUXSBBVGNMKZMU-LLVKDONJSA-N -2 3 363.867 1.941 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001592723346 979231686 /nfs/dbraw/zinc/23/16/86/979231686.db2.gz WHENFNUWZCRXRY-ZETCQYMHSA-N -2 3 350.418 1.097 20 0 FDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001595565492 981455436 /nfs/dbraw/zinc/45/54/36/981455436.db2.gz AHZAAOFWALHXHO-SNVBAGLBSA-N -2 3 354.226 1.104 20 0 FDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001595642659 981975518 /nfs/dbraw/zinc/97/55/18/981975518.db2.gz ZIJHZXVVAZDKLG-SSDOTTSWSA-N -2 3 354.226 1.104 20 0 FDADHL CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594937196 982598420 /nfs/dbraw/zinc/59/84/20/982598420.db2.gz RYVMSKGJPDPAMZ-IUCAKERBSA-N -2 3 351.371 1.738 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)[O-] ZINC001595987768 983240679 /nfs/dbraw/zinc/24/06/79/983240679.db2.gz QBIGNGYTKQPKQG-MRVPVSSYSA-N -3 3 351.402 1.161 20 0 FDADHL CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)(C)C(=O)[O-] ZINC001596167077 983531441 /nfs/dbraw/zinc/53/14/41/983531441.db2.gz GAXVSLUIMLDZCA-UHFFFAOYSA-N -2 3 374.434 1.838 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000645999172 1015017640 /nfs/dbraw/zinc/01/76/40/1015017640.db2.gz CAACNVTYQFFWHZ-AAEUAGOBSA-N -2 3 351.384 1.164 20 0 FDADHL CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596527208 984341181 /nfs/dbraw/zinc/34/11/81/984341181.db2.gz VRUHNUWDOVKFJG-RKDXNWHRSA-N -2 3 364.445 1.488 20 0 FDADHL CCOC(=O)c1nc([C@H](C)NCc2ccccc2O[C@@H](C)C(=O)[O-])n[n-]1 ZINC001596749540 985090372 /nfs/dbraw/zinc/09/03/72/985090372.db2.gz WVIAEHDJYYXUMZ-QWRGUYRKSA-N -2 3 362.386 1.684 20 0 FDADHL CCOC(=O)c1n[n-]c([C@H](C)NCc2ccccc2O[C@@H](C)C(=O)[O-])n1 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609423462 /nfs/dbraw/zinc/42/34/62/609423462.db2.gz ZRXPEKVGLWVCKQ-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1O ZINC000826217729 609423464 /nfs/dbraw/zinc/42/34/64/609423464.db2.gz ZRXPEKVGLWVCKQ-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492964 609457844 /nfs/dbraw/zinc/45/78/44/609457844.db2.gz NHIUUEABROHKHP-UHFFFAOYSA-N -2 3 363.330 1.535 20 0 FDADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492964 609457848 /nfs/dbraw/zinc/45/78/48/609457848.db2.gz NHIUUEABROHKHP-UHFFFAOYSA-N -2 3 363.330 1.535 20 0 FDADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492780 609460180 /nfs/dbraw/zinc/46/01/80/609460180.db2.gz CMBSRFHFXJLXGT-UHFFFAOYSA-N -2 3 357.399 1.336 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)o1 ZINC000273632608 674557001 /nfs/dbraw/zinc/55/70/01/674557001.db2.gz CUABHCZLWRDXCV-UHFFFAOYSA-N -2 3 352.368 1.509 20 0 FDADHL COc1cccc(CSC[C@H]([N-]S(=O)(=O)c2ccco2)C(=O)[O-])c1 ZINC000277236252 674896452 /nfs/dbraw/zinc/89/64/52/674896452.db2.gz JZBDMFIYOYRHJU-ZDUSSCGKSA-N -2 3 371.436 1.953 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000277970989 675071940 /nfs/dbraw/zinc/07/19/40/675071940.db2.gz IORZYMZJDYJYBN-SECBINFHSA-N -2 3 364.445 1.305 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c1Cl ZINC000026527048 670755980 /nfs/dbraw/zinc/75/59/80/670755980.db2.gz JVFXEPMBZGUCDW-UHFFFAOYSA-N -2 3 365.802 1.245 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000278550655 675152308 /nfs/dbraw/zinc/15/23/08/675152308.db2.gz AMADKIGDQDPGLM-SECBINFHSA-N -3 3 353.755 1.466 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-][N-]C(=O)c1ccc2ccccc2n1 ZINC000047215289 671026208 /nfs/dbraw/zinc/02/62/08/671026208.db2.gz OEKBHSGOSDTERV-UHFFFAOYSA-N -2 3 357.391 1.867 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])cc1F ZINC000278742439 675188742 /nfs/dbraw/zinc/18/87/42/675188742.db2.gz QIXFRBLZQIMRHN-SNVBAGLBSA-N -3 3 351.327 1.260 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)n1 ZINC000063476216 671309091 /nfs/dbraw/zinc/30/90/91/671309091.db2.gz VHHHYWJNVTZHGH-UHFFFAOYSA-N -2 3 366.399 1.171 20 0 FDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000281163630 675497146 /nfs/dbraw/zinc/49/71/46/675497146.db2.gz BPNQYPOCTMPYQD-YUMQZZPRSA-N -2 3 364.192 1.896 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1 ZINC000284915840 675764310 /nfs/dbraw/zinc/76/43/10/675764310.db2.gz BNFJYGZFLQRYCB-JTQLQIEISA-N -2 3 361.391 1.924 20 0 FDADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC000323462487 676566387 /nfs/dbraw/zinc/56/63/87/676566387.db2.gz JELJBZWBFVNLJN-SECBINFHSA-N -2 3 354.306 1.171 20 0 FDADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000421166890 680613404 /nfs/dbraw/zinc/61/34/04/680613404.db2.gz RKZPMCILNOTARK-LLVKDONJSA-N -2 3 371.459 1.385 20 0 FDADHL Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433388638 681186266 /nfs/dbraw/zinc/18/62/66/681186266.db2.gz VJFMHEZKKHEVEA-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL CCc1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000481871333 686367982 /nfs/dbraw/zinc/36/79/82/686367982.db2.gz RSXQKRKLKKTVRR-UHFFFAOYSA-N -2 3 351.409 1.698 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cn1 ZINC000507887761 688686387 /nfs/dbraw/zinc/68/63/87/688686387.db2.gz LACLWTWTVXOABG-UHFFFAOYSA-N -2 3 371.440 1.571 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000516460800 689952059 /nfs/dbraw/zinc/95/20/59/689952059.db2.gz CAACNVTYQFFWHZ-DGCLKSJQSA-N -2 3 351.384 1.164 20 0 FDADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000520798131 690356991 /nfs/dbraw/zinc/35/69/91/690356991.db2.gz PJUYVVIAOLNQIY-GZMMTYOYSA-N -2 3 365.249 1.868 20 0 FDADHL O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000890530914 769511569 /nfs/dbraw/zinc/51/15/69/769511569.db2.gz NILBDPUCFMPFPJ-VIFPVBQESA-N -2 3 352.753 1.689 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cn1 ZINC000656179867 774055025 /nfs/dbraw/zinc/05/50/25/774055025.db2.gz BUCJKLYUNPNUDR-KWQFWETISA-N -2 3 368.333 1.558 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656623439 777013401 /nfs/dbraw/zinc/01/34/01/777013401.db2.gz RSUYZYLOTMDUTB-JOYOIKCWSA-N -2 3 363.819 1.831 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663285366 806332621 /nfs/dbraw/zinc/33/26/21/806332621.db2.gz GMSWEWJSJPCJJP-GFCCVEGCSA-N -2 3 370.452 1.887 20 0 FDADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663425942 806995278 /nfs/dbraw/zinc/99/52/78/806995278.db2.gz WEUYCLYUZLVCNB-UHFFFAOYSA-N -2 3 357.388 1.069 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2COc3cc(F)ccc3C2)oc1C(=O)[O-] ZINC000663427941 806997944 /nfs/dbraw/zinc/99/79/44/806997944.db2.gz LENIFLPRQNYJJG-NSHDSACASA-N -2 3 355.343 1.707 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]Cc2cnc(C(F)(F)F)nc2)oc1C(=O)[O-] ZINC000663428633 807003377 /nfs/dbraw/zinc/00/33/77/807003377.db2.gz UOBKDZJTFZLEKF-UHFFFAOYSA-N -2 3 365.289 1.574 20 0 FDADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[N-]OCc1ccccc1 ZINC000729282866 811114354 /nfs/dbraw/zinc/11/43/54/811114354.db2.gz DDPSMNQFGCTHRE-UHFFFAOYSA-N -2 3 351.366 1.738 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4nc[nH]n4)cc3)ccc21 ZINC000521058996 821076973 /nfs/dbraw/zinc/07/69/73/821076973.db2.gz XJVQWWDDKZXPAF-UHFFFAOYSA-N -2 3 369.362 1.156 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000509660793 828811366 /nfs/dbraw/zinc/81/13/66/828811366.db2.gz FYTAYOHITXAPAI-UHFFFAOYSA-N -2 3 374.378 1.985 20 0 FDADHL COc1cccc(Br)c1CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC000906003815 852502514 /nfs/dbraw/zinc/50/25/14/852502514.db2.gz JYYKVCXIOYTRRG-VIFPVBQESA-N -2 3 370.196 1.300 20 0 FDADHL CSC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000906004622 852504513 /nfs/dbraw/zinc/50/45/13/852504513.db2.gz HLQGNIWANWIKRD-YFKPBYRVSA-N -2 3 360.276 1.605 20 0 FDADHL O=C(c1cc([O-])cc(Br)c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907473777 854218188 /nfs/dbraw/zinc/21/81/88/854218188.db2.gz SKPCBMILARJCFK-SNVBAGLBSA-N -2 3 370.232 1.598 20 0 FDADHL O=C([O-])CS[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(F)(F)F ZINC000910350537 857126211 /nfs/dbraw/zinc/12/62/11/857126211.db2.gz YRSQTRMMWNLAID-SNVBAGLBSA-N -2 3 355.309 1.939 20 0 FDADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000673835386 881544475 /nfs/dbraw/zinc/54/44/75/881544475.db2.gz AXEDOHNTNXNCOC-UHFFFAOYSA-N -2 3 359.367 1.808 20 0 FDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000676077072 885972200 /nfs/dbraw/zinc/97/22/00/885972200.db2.gz JDLYPBGYQRDIPX-UHFFFAOYSA-N -3 3 356.381 1.360 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000656180158 898946827 /nfs/dbraw/zinc/94/68/27/898946827.db2.gz GYZWMUVIVSVASQ-GARJFASQSA-N -2 3 360.432 1.062 20 0 FDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000766972672 929031988 /nfs/dbraw/zinc/03/19/88/929031988.db2.gz HEZBXBAYBAWYJP-SECBINFHSA-N -2 3 370.402 1.344 20 0 FDADHL O=C(Nc1c[nH]nn1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000788159366 932589636 /nfs/dbraw/zinc/58/96/36/932589636.db2.gz WQXMHJPIEXNNRA-UHFFFAOYSA-N -2 3 365.396 1.625 20 0 FDADHL CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772756459 933578073 /nfs/dbraw/zinc/57/80/73/933578073.db2.gz GBFOEBZRNVAXIO-UHFFFAOYSA-N -2 3 366.436 1.438 20 0 FDADHL CCOC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195245412 970787332 /nfs/dbraw/zinc/78/73/32/970787332.db2.gz REXRPLKZIUCZQU-UHFFFAOYSA-N -2 3 365.354 1.673 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC001602178175 971165869 /nfs/dbraw/zinc/16/58/69/971165869.db2.gz ZXCGUBBLCBYDGO-RQJHMYQMSA-N -2 3 361.832 1.876 20 0 FDADHL O=C([N-]c1nnc(C(F)F)s1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823383410 946421570 /nfs/dbraw/zinc/42/15/70/946421570.db2.gz RFJPHJUGQACTEJ-UHFFFAOYSA-N -2 3 358.721 1.957 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000824732046 946918600 /nfs/dbraw/zinc/91/86/00/946918600.db2.gz ZOVGGRUUCMEXDN-DGCLKSJQSA-N -2 3 359.386 1.490 20 0 FDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])nn1Cc1ccccc1 ZINC001195885879 971306898 /nfs/dbraw/zinc/30/68/98/971306898.db2.gz CKLBBWTXCMJZGM-UHFFFAOYSA-N -2 3 351.343 1.928 20 0 FDADHL CCCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[N-]OCCC ZINC000844090724 947707770 /nfs/dbraw/zinc/70/77/70/947707770.db2.gz ZOIPNQDJDNRTJR-CHWSQXEVSA-N -2 3 373.450 1.385 20 0 FDADHL O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3nnc4ccccc4c3[O-])C2)nn1 ZINC000844158750 947834204 /nfs/dbraw/zinc/83/42/04/947834204.db2.gz XUYQRRSWMYXUHV-SNVBAGLBSA-N -2 3 368.353 1.102 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000844653860 948264297 /nfs/dbraw/zinc/26/42/97/948264297.db2.gz VYPFPQBUBOTXSD-GFCCVEGCSA-N -2 3 353.404 1.340 20 0 FDADHL COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)c([O-])c1)CC2 ZINC001571015841 951306633 /nfs/dbraw/zinc/30/66/33/951306633.db2.gz WJYVFIJMEOQYRG-UHFFFAOYSA-N -2 3 365.349 1.562 20 0 FDADHL COc1nc(C(F)(F)F)c(C(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001196850718 971959856 /nfs/dbraw/zinc/95/98/56/971959856.db2.gz GWIWHCVNAWGZPW-UHFFFAOYSA-N -2 3 362.266 1.858 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001573329919 958513391 /nfs/dbraw/zinc/51/33/91/958513391.db2.gz PZQKMPURYJVGHZ-AWEZNQCLSA-N -2 3 355.350 1.337 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001588526723 958861099 /nfs/dbraw/zinc/86/10/99/958861099.db2.gz XILRWZBYGBLWSH-LBPRGKRZSA-N -2 3 369.424 1.514 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CCCC(=O)[O-] ZINC001594445362 959323508 /nfs/dbraw/zinc/32/35/08/959323508.db2.gz WQDLUFLLHRZGRT-UHFFFAOYSA-N -2 3 358.398 1.396 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594445370 959324372 /nfs/dbraw/zinc/32/43/72/959324372.db2.gz XEULNHKXVSSCMS-HNNXBMFYSA-N -2 3 372.425 1.546 20 0 FDADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)Cc3ccccc3C(=O)[O-])C2)n1 ZINC001594268661 959774446 /nfs/dbraw/zinc/77/44/46/959774446.db2.gz AUNWWKPEGGFAGW-ZDUSSCGKSA-N -2 3 356.382 1.126 20 0 FDADHL CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](C)C(=O)[O-] ZINC001573871691 961211793 /nfs/dbraw/zinc/21/17/93/961211793.db2.gz IWWMLBLMAFRREP-LBPRGKRZSA-N -2 3 358.398 1.395 20 0 FDADHL O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)Nc1cncc([O-])c1 ZINC001182546739 962296661 /nfs/dbraw/zinc/29/66/61/962296661.db2.gz OOCOWJXWDRRFGR-CQSZACIVSA-N -2 3 373.390 1.699 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1C(=O)[O-] ZINC001184703178 963686692 /nfs/dbraw/zinc/68/66/92/963686692.db2.gz JYLSYIGBCGGQKO-UHFFFAOYSA-N -3 3 350.352 1.299 20 0 FDADHL O=S(=O)([N-]c1ccc(OCC2CC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573951 963984658 /nfs/dbraw/zinc/98/46/58/963984658.db2.gz QSWOUZVNYXLNRH-UHFFFAOYSA-N -2 3 372.410 1.851 20 0 FDADHL COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597611 963996449 /nfs/dbraw/zinc/99/64/49/963996449.db2.gz DKPVWAMNHXAHIZ-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597611 963996459 /nfs/dbraw/zinc/99/64/59/963996459.db2.gz DKPVWAMNHXAHIZ-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL O=S(=O)([N-]c1cc(F)c(F)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185605287 964002268 /nfs/dbraw/zinc/00/22/68/964002268.db2.gz VFHWGCQLLRGIPA-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1cc(F)c(F)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185605287 964002271 /nfs/dbraw/zinc/00/22/71/964002271.db2.gz VFHWGCQLLRGIPA-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185608848 964003249 /nfs/dbraw/zinc/00/32/49/964003249.db2.gz ANLHWSOTMTYLIL-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185608848 964003260 /nfs/dbraw/zinc/00/32/60/964003260.db2.gz ANLHWSOTMTYLIL-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL O=C(Cc1nnc(Cc2ccccc2)[nH]1)NCCCCP(=O)([O-])[O-] ZINC001178419957 964233474 /nfs/dbraw/zinc/23/34/74/964233474.db2.gz YDLKVLRZGJJYSI-UHFFFAOYSA-N -2 3 352.331 1.012 20 0 FDADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(F)(F)F ZINC001186202582 964349919 /nfs/dbraw/zinc/34/99/19/964349919.db2.gz UAZNMMWIMXJVOY-SECBINFHSA-N -2 3 373.280 1.296 20 0 FDADHL CS(=O)(=O)c1ccc(CCC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001180073237 965100133 /nfs/dbraw/zinc/10/01/33/965100133.db2.gz AROORQOVWIFMTQ-UHFFFAOYSA-N -2 3 363.372 1.097 20 0 FDADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188014324 965974053 /nfs/dbraw/zinc/97/40/53/965974053.db2.gz PWPFYLWACLMSAQ-UHFFFAOYSA-N -3 3 364.360 1.136 20 0 FDADHL CN(C)c1nc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(N=O)c(=O)[n-]1 ZINC001189651202 967161783 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549645908 /nfs/dbraw/zinc/64/59/08/549645908.db2.gz GDNWPSGLZYQNKJ-UHFFFAOYSA-N -2 3 371.342 1.770 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)s1 ZINC000571968179 549813509 /nfs/dbraw/zinc/81/35/09/549813509.db2.gz RBRVHBMCGSRVIL-RISCZKNCSA-N -2 3 370.452 1.041 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCSC1 ZINC000572599073 549951763 /nfs/dbraw/zinc/95/17/63/549951763.db2.gz MVPHRENFLOTCJX-LBPRGKRZSA-N -2 3 371.358 1.666 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000573438544 550137061 /nfs/dbraw/zinc/13/70/61/550137061.db2.gz HNHCUBFASYIHNO-NOZJJQNGSA-N -2 3 361.391 1.636 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N=c1cc2ccccn2[n-]1 ZINC000573469488 550145613 /nfs/dbraw/zinc/14/56/13/550145613.db2.gz DOGSHJYUDXBXCQ-UHFFFAOYSA-N -2 3 360.377 1.969 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000574222491 550278358 /nfs/dbraw/zinc/27/83/58/550278358.db2.gz UABHYWQBAHCQEB-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCc1c(C)noc1C ZINC000576515652 550557898 /nfs/dbraw/zinc/55/78/98/550557898.db2.gz VOEQEGZIKYVKEV-UHFFFAOYSA-N -2 3 372.374 1.658 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(C)nn(C)c2C)c(F)c1 ZINC000576563711 550562539 /nfs/dbraw/zinc/56/25/39/550562539.db2.gz DFSXYXRVGYEYDQ-AWEZNQCLSA-N -2 3 371.390 1.289 20 0 FDADHL COc1ccc([C@H]([N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])cc1F ZINC000576921043 550599904 /nfs/dbraw/zinc/59/99/04/550599904.db2.gz LYXUYDFMTHFTMS-LBPRGKRZSA-N -2 3 360.388 1.703 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)[O-])s2)oc1C ZINC000577280706 550640336 /nfs/dbraw/zinc/64/03/36/550640336.db2.gz IPSVKMCCLRZOHI-LURJTMIESA-N -2 3 374.396 1.569 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000577551000 550668521 /nfs/dbraw/zinc/66/85/21/550668521.db2.gz IQBJASXTUVHBQE-ZDUSSCGKSA-N -2 3 373.431 1.688 20 0 FDADHL Cn1[n-]c(=NC(=O)N=c2[n-]nc(C3CCOCC3)s2)cc1OC(F)F ZINC000578434164 550762709 /nfs/dbraw/zinc/76/27/09/550762709.db2.gz JMMVBLLQHBATCZ-UHFFFAOYSA-N -2 3 374.373 1.255 20 0 FDADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000578641020 550785966 /nfs/dbraw/zinc/78/59/66/550785966.db2.gz GXUGEVWCPOAKEP-MADCSZMMSA-N -2 3 360.363 1.284 20 0 FDADHL COc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])c1 ZINC000579201421 550846276 /nfs/dbraw/zinc/84/62/76/550846276.db2.gz CLHDEPREJIYVBB-LBPRGKRZSA-N -2 3 368.386 1.451 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000579537942 550883318 /nfs/dbraw/zinc/88/33/18/550883318.db2.gz NIWHJXCYJUYREN-UHFFFAOYSA-N -2 3 358.416 1.843 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3nc[n-]c(=O)c3C2)n1 ZINC000579662465 550896615 /nfs/dbraw/zinc/89/66/15/550896615.db2.gz CYWGGTUCEIFKHC-UHFFFAOYSA-N -2 3 365.393 1.834 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC000580070005 550940040 /nfs/dbraw/zinc/94/00/40/550940040.db2.gz LEUPHAIRUXGRGD-UHFFFAOYSA-N -2 3 355.368 1.516 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000580308699 550965068 /nfs/dbraw/zinc/96/50/68/550965068.db2.gz RQJXZDJHVNQNPN-FXAINCCUSA-N -2 3 373.452 1.691 20 0 FDADHL Cc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000583101368 551303781 /nfs/dbraw/zinc/30/37/81/551303781.db2.gz WDLJIXPRXYATEB-UHIISALHSA-N -2 3 371.441 1.547 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCCCCC2)no1 ZINC000583691398 551388285 /nfs/dbraw/zinc/38/82/85/551388285.db2.gz PUDYHTKPNDTCTN-UHFFFAOYSA-N -2 3 368.415 1.932 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000584161485 551456521 /nfs/dbraw/zinc/45/65/21/551456521.db2.gz GYWFRWVOCMCNLR-CDMKHQONSA-N -2 3 362.448 1.664 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)c(F)c1 ZINC000584354617 551485307 /nfs/dbraw/zinc/48/53/07/551485307.db2.gz RUMNFIUVGUZXDP-NSHDSACASA-N -2 3 361.391 1.245 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c[n-]1 ZINC000585730887 551589448 /nfs/dbraw/zinc/58/94/48/551589448.db2.gz NDQDPSDRISNSMD-UHFFFAOYSA-N -2 3 362.367 1.229 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)[n-]1 ZINC000585730887 551589450 /nfs/dbraw/zinc/58/94/50/551589450.db2.gz NDQDPSDRISNSMD-UHFFFAOYSA-N -2 3 362.367 1.229 20 0 FDADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000609796381 554422593 /nfs/dbraw/zinc/42/25/93/554422593.db2.gz RSUOGSGRWDCSHE-HSZRJFAPSA-N -2 3 369.420 1.688 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)s1 ZINC000612428896 554776566 /nfs/dbraw/zinc/77/65/66/554776566.db2.gz TYMDWPJLVGTBOI-UHFFFAOYSA-N -2 3 355.393 1.711 20 0 FDADHL C[C@]1(C[C@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])NC(=O)[N-]C1=O ZINC000614730827 555103304 /nfs/dbraw/zinc/10/33/04/555103304.db2.gz WITIMKKEALRQSF-CWTRNNRKSA-N -2 3 368.393 1.533 20 0 FDADHL CC(C)Cc1nc(=NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)s[n-]1 ZINC000618348150 555620735 /nfs/dbraw/zinc/62/07/35/555620735.db2.gz DFTUGXGBFNOGEH-KRWDZBQOSA-N -2 3 373.438 1.465 20 0 FDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000619744456 555829577 /nfs/dbraw/zinc/82/95/77/555829577.db2.gz OLROFXBKAVROGW-ZETCQYMHSA-N -2 3 371.196 1.773 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000621540508 556104460 /nfs/dbraw/zinc/10/44/60/556104460.db2.gz KHIAHGYVQLAYBL-JTQLQIEISA-N -2 3 366.370 1.829 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(C)o1 ZINC000621585453 556115735 /nfs/dbraw/zinc/11/57/35/556115735.db2.gz ASNNKLCWIDFHOQ-CYBMUJFWSA-N -2 3 358.416 1.259 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000621598048 556119119 /nfs/dbraw/zinc/11/91/19/556119119.db2.gz QWEKRDQHJZGSOQ-OUAUKWLOSA-N -2 3 360.457 1.175 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c(F)c1F ZINC000629294994 557754866 /nfs/dbraw/zinc/75/48/66/557754866.db2.gz KDIZYVFNXIFDKQ-ZDUSSCGKSA-N -3 3 351.327 1.117 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F)C1CC1 ZINC000629295329 557755020 /nfs/dbraw/zinc/75/50/20/557755020.db2.gz JPUXJCIHJFPQMX-TZMCWYRMSA-N -2 3 363.382 1.825 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC000629313603 557760931 /nfs/dbraw/zinc/76/09/31/557760931.db2.gz BVZIICUFACTLPS-CYBMUJFWSA-N -2 3 369.374 1.121 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2COc3cccc(C)c3C2)cc1C(=O)[O-] ZINC000629334306 557767175 /nfs/dbraw/zinc/76/71/75/557767175.db2.gz ORTXXBIQPJJTJT-LLVKDONJSA-N -2 3 351.380 1.877 20 0 FDADHL Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])CO2 ZINC000629334500 557767227 /nfs/dbraw/zinc/76/72/27/557767227.db2.gz RTEXNKWQITUCMH-VIFPVBQESA-N -2 3 354.409 1.432 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000630265263 557893124 /nfs/dbraw/zinc/89/31/24/557893124.db2.gz ORRGMKJWWSRSGY-LBPRGKRZSA-N -2 3 374.484 1.424 20 0 FDADHL N=c1nc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)s[n-]1 ZINC000631713765 558031483 /nfs/dbraw/zinc/03/14/83/558031483.db2.gz LHKZTNOPDYCJJH-UHFFFAOYSA-N -2 3 353.835 1.201 20 0 FDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000738212053 598842151 /nfs/dbraw/zinc/84/21/51/598842151.db2.gz BQTHCCFOORWZAQ-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000738212053 598842152 /nfs/dbraw/zinc/84/21/52/598842152.db2.gz BQTHCCFOORWZAQ-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342974 598842300 /nfs/dbraw/zinc/84/23/00/598842300.db2.gz USRFGLNYGWAJTD-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342974 598842301 /nfs/dbraw/zinc/84/23/01/598842301.db2.gz USRFGLNYGWAJTD-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737182666 598909544 /nfs/dbraw/zinc/90/95/44/598909544.db2.gz PZRWVAZRFIFFCR-UHFFFAOYSA-N -2 3 369.472 1.346 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737182666 598909546 /nfs/dbraw/zinc/90/95/46/598909546.db2.gz PZRWVAZRFIFFCR-UHFFFAOYSA-N -2 3 369.472 1.346 20 0 FDADHL O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342847 599193605 /nfs/dbraw/zinc/19/36/05/599193605.db2.gz RGTLFMNXIYLKHU-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342847 599193608 /nfs/dbraw/zinc/19/36/08/599193608.db2.gz RGTLFMNXIYLKHU-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)CCC(=O)[O-])nc(=O)c2c1C ZINC000818229226 596996759 /nfs/dbraw/zinc/99/67/59/596996759.db2.gz FNQCNBQOMNJJSB-SECBINFHSA-N -2 3 367.427 1.937 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCC(=O)[O-])cc1Cl ZINC000261842790 597311624 /nfs/dbraw/zinc/31/16/24/597311624.db2.gz LFBITQJJJPCAEP-UHFFFAOYSA-N -2 3 352.771 1.581 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736947734 598456516 /nfs/dbraw/zinc/45/65/16/598456516.db2.gz DVVBCYQIUMPIET-UHFFFAOYSA-N -2 3 367.318 1.186 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736947734 598456518 /nfs/dbraw/zinc/45/65/18/598456518.db2.gz DVVBCYQIUMPIET-UHFFFAOYSA-N -2 3 367.318 1.186 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822699075 599306857 /nfs/dbraw/zinc/30/68/57/599306857.db2.gz NEOCHXVEQCZEHX-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822699075 599306859 /nfs/dbraw/zinc/30/68/59/599306859.db2.gz NEOCHXVEQCZEHX-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822016184 607376254 /nfs/dbraw/zinc/37/62/54/607376254.db2.gz WFUGWUMEGHDVBG-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822016184 607376256 /nfs/dbraw/zinc/37/62/56/607376256.db2.gz WFUGWUMEGHDVBG-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000736606523 599769945 /nfs/dbraw/zinc/76/99/45/599769945.db2.gz GSAMLFOHDYTHDC-GFCCVEGCSA-N -2 3 364.423 1.703 20 0 FDADHL C[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000485952542 599772569 /nfs/dbraw/zinc/77/25/69/599772569.db2.gz FAOUCMPBBINCGP-SECBINFHSA-N -2 3 369.374 1.405 20 0 FDADHL CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737132208 599774358 /nfs/dbraw/zinc/77/43/58/599774358.db2.gz INDCYCSQBXVBNH-GFCCVEGCSA-N -2 3 367.379 1.431 20 0 FDADHL COC(=O)c1ccc(OCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737700591 599939904 /nfs/dbraw/zinc/93/99/04/599939904.db2.gz PNBCRDCFAPSQMF-UHFFFAOYSA-N -2 3 369.351 1.122 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000737592384 600169375 /nfs/dbraw/zinc/16/93/75/600169375.db2.gz PJHGHNNZDSRWAY-SNVBAGLBSA-N -2 3 370.408 1.105 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCNC(=O)[O-])cc1 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/nfs/dbraw/zinc/75/12/34/606751234.db2.gz CGXNQTWOCRAQIW-UHFFFAOYSA-N -2 3 359.343 1.457 20 0 FDADHL Cc1csc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822414417 606885526 /nfs/dbraw/zinc/88/55/26/606885526.db2.gz DZSNJIUYYLSSEP-UHFFFAOYSA-N -2 3 372.382 1.388 20 0 FDADHL CCOCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821378418 606886815 /nfs/dbraw/zinc/88/68/15/606886815.db2.gz NUHPCVLDLODQRU-UHFFFAOYSA-N -2 3 361.374 1.240 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C1CC1)C1CC1 ZINC000826449730 607806801 /nfs/dbraw/zinc/80/68/01/607806801.db2.gz HPOPYRBCPNZBIR-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C1CC1)C1CC1 ZINC000826449730 607806802 /nfs/dbraw/zinc/80/68/02/607806802.db2.gz HPOPYRBCPNZBIR-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]c1C(F)(F)F ZINC000826235823 607843884 /nfs/dbraw/zinc/84/38/84/607843884.db2.gz RXSINMNTQVRMLM-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000826256101 607982665 /nfs/dbraw/zinc/98/26/65/607982665.db2.gz VAYYCDPXQOLPIJ-UHFFFAOYSA-N -2 3 369.357 1.647 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000826256101 607982666 /nfs/dbraw/zinc/98/26/66/607982666.db2.gz VAYYCDPXQOLPIJ-UHFFFAOYSA-N -2 3 369.357 1.647 20 0 FDADHL O=C(CCCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826406525 607985782 /nfs/dbraw/zinc/98/57/82/607985782.db2.gz AXBCKYYOGYQQHP-UHFFFAOYSA-N -2 3 372.410 1.090 20 0 FDADHL O=C(CCCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826406525 607985783 /nfs/dbraw/zinc/98/57/83/607985783.db2.gz AXBCKYYOGYQQHP-UHFFFAOYSA-N -2 3 372.410 1.090 20 0 FDADHL Cc1cccc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1-c1nnn[n-]1 ZINC000826301793 608011332 /nfs/dbraw/zinc/01/13/32/608011332.db2.gz PTUOYOHDUGDOKH-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL Cc1cccc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1-c1nn[n-]n1 ZINC000826301793 608011333 /nfs/dbraw/zinc/01/13/33/608011333.db2.gz PTUOYOHDUGDOKH-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824371422 608180301 /nfs/dbraw/zinc/18/03/01/608180301.db2.gz FGNDKVUBZJBVAI-UHFFFAOYSA-N -2 3 374.426 1.509 20 0 FDADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824371422 608180302 /nfs/dbraw/zinc/18/03/02/608180302.db2.gz FGNDKVUBZJBVAI-UHFFFAOYSA-N -2 3 374.426 1.509 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826242981 608269968 /nfs/dbraw/zinc/26/99/68/608269968.db2.gz OTFMLUIPQQHNOU-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826242981 608269969 /nfs/dbraw/zinc/26/99/69/608269969.db2.gz OTFMLUIPQQHNOU-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824877237 609138883 /nfs/dbraw/zinc/13/88/83/609138883.db2.gz XITVRZRBNPRTNM-QWRGUYRKSA-N -2 3 363.443 1.744 20 0 FDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824877237 609138885 /nfs/dbraw/zinc/13/88/85/609138885.db2.gz XITVRZRBNPRTNM-QWRGUYRKSA-N -2 3 363.443 1.744 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000824744673 609258771 /nfs/dbraw/zinc/25/87/71/609258771.db2.gz DGQKLWKDMTVHPE-OLZOCXBDSA-N -2 3 373.413 1.737 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000824744673 609258773 /nfs/dbraw/zinc/25/87/73/609258773.db2.gz DGQKLWKDMTVHPE-OLZOCXBDSA-N -2 3 373.413 1.737 20 0 FDADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824119659 609384881 /nfs/dbraw/zinc/38/48/81/609384881.db2.gz NCZDZJRIZTVKNC-UHFFFAOYSA-N -2 3 373.822 1.140 20 0 FDADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824119659 609384884 /nfs/dbraw/zinc/38/48/84/609384884.db2.gz NCZDZJRIZTVKNC-UHFFFAOYSA-N -2 3 373.822 1.140 20 0 FDADHL CCOCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273708506 674565076 /nfs/dbraw/zinc/56/50/76/674565076.db2.gz OSFMSQPZALBAMF-UHFFFAOYSA-N -2 3 358.235 1.524 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])s1 ZINC000275082573 674605033 /nfs/dbraw/zinc/60/50/33/674605033.db2.gz NNDCWFOYDPHNIB-JTQLQIEISA-N -2 3 370.408 1.154 20 0 FDADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000055546257 671236136 /nfs/dbraw/zinc/23/61/36/671236136.db2.gz OPMCXRHETDLMKK-UHFFFAOYSA-N -3 3 363.395 1.527 20 0 FDADHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000055647727 671237987 /nfs/dbraw/zinc/23/79/87/671237987.db2.gz BIASQRQYJLQFKM-UHFFFAOYSA-N -2 3 351.340 1.232 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCSCC2)c(Br)o1 ZINC000136338959 671842441 /nfs/dbraw/zinc/84/24/41/671842441.db2.gz DVQRWXVUKQYNLS-UHFFFAOYSA-N -2 3 370.246 1.914 20 0 FDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCn2ccnc2)c1 ZINC000184882364 672250898 /nfs/dbraw/zinc/25/08/98/672250898.db2.gz XIVXXIREWAEAHC-UHFFFAOYSA-N -2 3 364.210 1.867 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)Cn1cccn1 ZINC000184939677 672252549 /nfs/dbraw/zinc/25/25/49/672252549.db2.gz YTVGHJMXKHYCNK-SECBINFHSA-N -2 3 359.354 1.474 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CN1C1CC1 ZINC000185104669 672255755 /nfs/dbraw/zinc/25/57/55/672255755.db2.gz UKVFLCBJZYCYPD-BDAKNGLRSA-N -2 3 360.382 1.567 20 0 FDADHL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)ccc21 ZINC000327853651 676596002 /nfs/dbraw/zinc/59/60/02/676596002.db2.gz SDWRMAQLUKFQHJ-UHFFFAOYSA-N -2 3 366.326 1.770 20 0 FDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1F ZINC000427336838 680972570 /nfs/dbraw/zinc/97/25/70/680972570.db2.gz SIYRNFAXITZCLL-UHFFFAOYSA-N -2 3 363.330 1.300 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c(C)o1 ZINC000431816794 681135814 /nfs/dbraw/zinc/13/58/14/681135814.db2.gz ZISDLDNFAAAKGQ-ZDUSSCGKSA-N -2 3 372.443 1.650 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[n-]1 ZINC000460529114 684533872 /nfs/dbraw/zinc/53/38/72/684533872.db2.gz DHFMASHLFKQTDY-UHFFFAOYSA-N -2 3 365.198 1.628 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)[n-]1 ZINC000460533897 684534468 /nfs/dbraw/zinc/53/44/68/684534468.db2.gz PZWVCFBICMTYIL-UHFFFAOYSA-N -2 3 366.399 1.035 20 0 FDADHL Cc1ccc(-c2nc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)o3)n[n-]2)o1 ZINC000479441262 686021246 /nfs/dbraw/zinc/02/12/46/686021246.db2.gz ABKWTHUFTDMYBU-UHFFFAOYSA-N -2 3 365.371 1.469 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000484553063 686604239 /nfs/dbraw/zinc/60/42/39/686604239.db2.gz CRMWNVJKNGOLKF-UHFFFAOYSA-N -2 3 370.387 1.166 20 0 FDADHL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504303372 688428145 /nfs/dbraw/zinc/42/81/45/688428145.db2.gz GYIWMXJJWMAKND-UHFFFAOYSA-N -2 3 374.415 1.582 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000506181557 688556104 /nfs/dbraw/zinc/55/61/04/688556104.db2.gz CNVHKKFOJZTAOW-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc(C(=O)[O-])c1 ZINC000507569097 688649711 /nfs/dbraw/zinc/64/97/11/688649711.db2.gz QOZMWHNVFRDADL-UHFFFAOYSA-N -2 3 359.367 1.470 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000509842237 689315608 /nfs/dbraw/zinc/31/56/08/689315608.db2.gz FWJVRJPXLKNWFH-UHFFFAOYSA-N -3 3 368.318 1.285 20 0 FDADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC000515379743 689850069 /nfs/dbraw/zinc/85/00/69/689850069.db2.gz QCLSNOBSLLDZKG-JTQLQIEISA-N -2 3 369.798 1.456 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000517663004 690084980 /nfs/dbraw/zinc/08/49/80/690084980.db2.gz HFLWYXYKAAWXBU-UHFFFAOYSA-N -2 3 367.379 1.571 20 0 FDADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000526061331 694643399 /nfs/dbraw/zinc/64/33/99/694643399.db2.gz OPCCRLQZVCWDEP-QMMMGPOBSA-N -2 3 362.820 1.186 20 0 FDADHL O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000529294578 694774420 /nfs/dbraw/zinc/77/44/20/694774420.db2.gz SCWXMWGSAYIION-MRVPVSSYSA-N -2 3 367.203 1.998 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000656725910 777404468 /nfs/dbraw/zinc/40/44/68/777404468.db2.gz WMTNKSWDDGEJDK-SECBINFHSA-N -2 3 352.334 1.880 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3n[nH]c(=O)[n-]3)c2)n1 ZINC000376923815 790856122 /nfs/dbraw/zinc/85/61/22/790856122.db2.gz CTOWWORLGYHYAA-UHFFFAOYSA-N -2 3 372.410 1.966 20 0 FDADHL CCc1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cn1CC1CC1 ZINC000663287023 806333995 /nfs/dbraw/zinc/33/39/95/806333995.db2.gz VNJPFXLBDBNPAJ-SECBINFHSA-N -2 3 369.365 1.539 20 0 FDADHL COc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc(OC)c1[O-] ZINC000909757956 856502582 /nfs/dbraw/zinc/50/25/82/856502582.db2.gz GKRYBNKFIWOXJR-AWEZNQCLSA-N -2 3 363.288 1.889 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CC1 ZINC000761322614 864994978 /nfs/dbraw/zinc/99/49/78/864994978.db2.gz ZZLJGEXIMWFCCP-LLVKDONJSA-N -2 3 363.338 1.283 20 0 FDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(COc2ccccc2F)on1 ZINC001168429149 867854029 /nfs/dbraw/zinc/85/40/29/867854029.db2.gz DAFKYOIEUGPIMN-UHFFFAOYSA-N -2 3 360.301 1.524 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000917867335 883883408 /nfs/dbraw/zinc/88/34/08/883883408.db2.gz GNGOEDARIYGWFI-MRVPVSSYSA-N -2 3 363.848 1.938 20 0 FDADHL O=S(=O)(N=S1(=O)CCCC1)[N-]CCc1c(F)cc([O-])cc1F ZINC000921964990 893577867 /nfs/dbraw/zinc/57/78/67/893577867.db2.gz INGNHQAZVVGQJY-UHFFFAOYSA-N -2 3 354.400 1.309 20 0 FDADHL CCCC(C)=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000736419161 924832199 /nfs/dbraw/zinc/83/21/99/924832199.db2.gz JWHCBEWKYQPOKM-ZHACJKMWSA-N -2 3 352.402 1.863 20 0 FDADHL CCCC(C)=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736419161 924832207 /nfs/dbraw/zinc/83/22/07/924832207.db2.gz JWHCBEWKYQPOKM-ZHACJKMWSA-N -2 3 352.402 1.863 20 0 FDADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000787321030 932260984 /nfs/dbraw/zinc/26/09/84/932260984.db2.gz ZIJFGPTVAIXNLU-SSDOTTSWSA-N -2 3 364.836 1.251 20 0 FDADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772759013 933640543 /nfs/dbraw/zinc/64/05/43/933640543.db2.gz JZGTZJHOYPJKMF-QMMMGPOBSA-N -2 3 352.409 1.048 20 0 FDADHL CCCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772759754 933695685 /nfs/dbraw/zinc/69/56/85/933695685.db2.gz MXEOJDGDKATTMR-UHFFFAOYSA-N -2 3 352.409 1.192 20 0 FDADHL CCOC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247838 970791830 /nfs/dbraw/zinc/79/18/30/970791830.db2.gz YEJBZAFLULCTLC-SSDOTTSWSA-N -2 3 351.327 1.283 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)c2ccccc2)c(F)cc1F ZINC001195248114 970792030 /nfs/dbraw/zinc/79/20/30/970792030.db2.gz CEISQBHEDPKRML-UHFFFAOYSA-N -2 3 355.318 1.824 20 0 FDADHL CC(=O)NCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259814 970798824 /nfs/dbraw/zinc/79/88/24/970798824.db2.gz MKTSQLFAWPKMJA-UHFFFAOYSA-N -2 3 364.370 1.248 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2Oc3ccccc3O2)c(F)cc1F ZINC001195259587 970798344 /nfs/dbraw/zinc/79/83/44/970798344.db2.gz GVFDAGCNTUUPIV-UHFFFAOYSA-N -2 3 371.317 1.739 20 0 FDADHL O=C([N-]c1c[nH]ccc1=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195342570 970857471 /nfs/dbraw/zinc/85/74/71/970857471.db2.gz UPTUJNWSRWHUDP-UHFFFAOYSA-N -2 3 366.248 1.430 20 0 FDADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000819158371 943454655 /nfs/dbraw/zinc/45/46/55/943454655.db2.gz NGYGQKNEDQITEV-UHFFFAOYSA-N -2 3 358.807 1.437 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844785054 948385929 /nfs/dbraw/zinc/38/59/29/948385929.db2.gz LVDMBISEHYXHGA-XCBNKYQSSA-N -2 3 352.771 1.032 20 0 FDADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844801737 948394470 /nfs/dbraw/zinc/39/44/70/948394470.db2.gz PWDPCSJBYINOIO-VIFPVBQESA-N -2 3 354.787 1.421 20 0 FDADHL C[C@H](CSCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844809286 948410066 /nfs/dbraw/zinc/41/00/66/948410066.db2.gz LRGHJMLOQDOEKE-SSDOTTSWSA-N -2 3 356.828 1.606 20 0 FDADHL COC1(C[C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C(=O)[O-])CCC1 ZINC000844826778 948421343 /nfs/dbraw/zinc/42/13/43/948421343.db2.gz SUURRHBBPTYFKH-VIFPVBQESA-N -2 3 365.839 1.073 20 0 FDADHL CC(C)(C)[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1nc(=O)o[n-]1 ZINC001573823014 949813008 /nfs/dbraw/zinc/81/30/08/949813008.db2.gz PUMNSXRIGNITSL-SNVBAGLBSA-N -2 3 361.337 1.199 20 0 FDADHL CC(C)(C)[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nc(=O)o[n-]1 ZINC001573823014 949813027 /nfs/dbraw/zinc/81/30/27/949813027.db2.gz PUMNSXRIGNITSL-SNVBAGLBSA-N -2 3 361.337 1.199 20 0 FDADHL O=c1cc(CN2CCC(C(F)(F)F)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571040364 951667973 /nfs/dbraw/zinc/66/79/73/951667973.db2.gz RSRNFHQHTDTILO-UHFFFAOYSA-N -2 3 368.323 1.389 20 0 FDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001589275123 953461021 /nfs/dbraw/zinc/46/10/21/953461021.db2.gz SUXXLIYVTOCDPU-NXEZZACHSA-N -2 3 374.846 1.894 20 0 FDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001594513542 955407826 /nfs/dbraw/zinc/40/78/26/955407826.db2.gz VENYNERHECKLNR-UHFFFAOYSA-N -2 3 353.338 1.897 20 0 FDADHL CC(C)(CCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC000818625373 955413407 /nfs/dbraw/zinc/41/34/07/955413407.db2.gz ZDOBZTPKQPTLMR-SNVBAGLBSA-N -2 3 367.368 1.587 20 0 FDADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CC(=O)[N-]OCc3ccccc3)C2)cn1 ZINC001594539096 955613490 /nfs/dbraw/zinc/61/34/90/955613490.db2.gz UJJBOJYHUPYCAS-JKSUJKDBSA-N -2 3 372.425 1.158 20 0 FDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001326908432 957333064 /nfs/dbraw/zinc/33/30/64/957333064.db2.gz WPKIAGVPRMRMRM-UHFFFAOYSA-N -2 3 367.358 1.220 20 0 FDADHL NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000047317915 957454928 /nfs/dbraw/zinc/45/49/28/957454928.db2.gz SUMMKNKOEPZMKJ-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC(=O)[O-])CC1CC1 ZINC001594445324 959323430 /nfs/dbraw/zinc/32/34/30/959323430.db2.gz UOZJRKCARPACEO-UHFFFAOYSA-N -2 3 370.409 1.396 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001259222318 960684810 /nfs/dbraw/zinc/68/48/10/960684810.db2.gz ODJRCOLQGKUZBN-LLVKDONJSA-N -2 3 365.766 1.407 20 0 FDADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399721 960722587 /nfs/dbraw/zinc/72/25/87/960722587.db2.gz AWGBQSJBFQDTSL-UHFFFAOYSA-N -2 3 350.352 1.299 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001261889163 960773219 /nfs/dbraw/zinc/77/32/19/960773219.db2.gz PIMVDLFABBJICB-RXMQYKEDSA-N -2 3 362.713 1.132 20 0 FDADHL CC[C@H](CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001573797833 960784858 /nfs/dbraw/zinc/78/48/58/960784858.db2.gz GGEGDNTYHJQYNE-SECBINFHSA-N -2 3 361.395 1.107 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC001326014407 961067450 /nfs/dbraw/zinc/06/74/50/961067450.db2.gz WEYQSWOCCGXCRE-UHFFFAOYSA-N -2 3 360.457 1.859 20 0 FDADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001327712105 961178161 /nfs/dbraw/zinc/17/81/61/961178161.db2.gz WSWVHAOOKPFDHC-RXMQYKEDSA-N -2 3 364.704 1.845 20 0 FDADHL CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001182137868 961485356 /nfs/dbraw/zinc/48/53/56/961485356.db2.gz IZNVZMHTZHQOTJ-AWEZNQCLSA-N -2 3 372.358 1.418 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cc1OC ZINC001573929128 961564817 /nfs/dbraw/zinc/56/48/17/961564817.db2.gz SCLVIXQBKSZHDM-HNNXBMFYSA-N -2 3 372.399 1.029 20 0 FDADHL Cn1nccc1[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)[O-] ZINC001574472245 961603316 /nfs/dbraw/zinc/60/33/16/961603316.db2.gz KHTOOCRUDVIQRO-AWEZNQCLSA-N -2 3 353.338 1.731 20 0 FDADHL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185612869 964005767 /nfs/dbraw/zinc/00/57/67/964005767.db2.gz UQEAZFMBNCDLNF-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185612869 964005772 /nfs/dbraw/zinc/00/57/72/964005772.db2.gz UQEAZFMBNCDLNF-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)=O)c1 ZINC001185612559 964005993 /nfs/dbraw/zinc/00/59/93/964005993.db2.gz OKPKGHWQCRJTGY-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001180176487 965126227 /nfs/dbraw/zinc/12/62/27/965126227.db2.gz CQVOPAZIGZCQEA-ONGXEEELSA-N -2 3 362.279 1.478 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)s1 ZINC000776606054 967486198 /nfs/dbraw/zinc/48/61/98/967486198.db2.gz YZLLNXCOJUZIQO-OLZOCXBDSA-N -2 3 356.425 1.171 20 0 FDADHL CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](C)C(=O)[O-] ZINC000852954219 967728947 /nfs/dbraw/zinc/72/89/47/967728947.db2.gz DXSCWXAOOVPGOF-VIFPVBQESA-N -2 3 358.391 1.202 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001192712945 969260530 /nfs/dbraw/zinc/26/05/30/969260530.db2.gz QPRXVLGVLRRLDW-UHFFFAOYSA-N -2 3 359.306 1.935 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCOC1 ZINC000644629223 1013867322 /nfs/dbraw/zinc/86/73/22/1013867322.db2.gz JLDCGVDDKAUMHH-NSHDSACASA-N -2 3 373.280 1.246 20 0 FDADHL COc1nc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc(=O)[n-]1 ZINC001194538715 970239416 /nfs/dbraw/zinc/23/94/16/970239416.db2.gz XXBAXKFWQPKIPX-UHFFFAOYSA-N -2 3 350.278 1.405 20 0 FDADHL O=C([O-])/C=C\c1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)co1 ZINC001606062840 973184171 /nfs/dbraw/zinc/18/41/71/973184171.db2.gz JFJFXVLCTGNXHN-WAYWQWQTSA-N -2 3 370.361 1.681 20 0 FDADHL COc1ccc(C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)c([O-])c1 ZINC000864218530 973456849 /nfs/dbraw/zinc/45/68/49/973456849.db2.gz PWTVUYVJAFODAU-JTQLQIEISA-N -2 3 353.318 1.879 20 0 FDADHL COc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000864437417 973561973 /nfs/dbraw/zinc/56/19/73/973561973.db2.gz IENKUOPATXUSDN-SSDOTTSWSA-N -2 3 359.297 1.766 20 0 FDADHL O=P([O-])([O-])CCNC(=S)Nc1c(F)c(F)c(F)c(F)c1F ZINC001198922657 973688986 /nfs/dbraw/zinc/68/89/86/973688986.db2.gz YEHWTBUFXCXIQY-UHFFFAOYSA-N -2 3 350.205 1.846 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)o1 ZINC000825565217 973786064 /nfs/dbraw/zinc/78/60/64/973786064.db2.gz OCSSBVSWYDCIHB-UHFFFAOYSA-N -2 3 363.355 1.437 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)o1 ZINC000825565217 973786074 /nfs/dbraw/zinc/78/60/74/973786074.db2.gz OCSSBVSWYDCIHB-UHFFFAOYSA-N -2 3 363.355 1.437 20 0 FDADHL CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001591776782 975926134 /nfs/dbraw/zinc/92/61/34/975926134.db2.gz LURKRSHCEMILFX-ZDUSSCGKSA-N -2 3 369.395 1.777 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c1 ZINC000848676074 976991216 /nfs/dbraw/zinc/99/12/16/976991216.db2.gz NGVWVDACIXRQIE-VIFPVBQESA-N -2 3 361.391 1.700 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1 ZINC000848676086 976991673 /nfs/dbraw/zinc/99/16/73/976991673.db2.gz NOGLFYHFKVEEAE-VIFPVBQESA-N -2 3 361.391 1.700 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000848680531 976997525 /nfs/dbraw/zinc/99/75/25/976997525.db2.gz JNFZRANOOWRWSV-JTQLQIEISA-N -2 3 351.327 1.094 20 0 FDADHL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])C1 ZINC000848878829 977219521 /nfs/dbraw/zinc/21/95/21/977219521.db2.gz LQZHDDVINMAJMR-MISXGVKJSA-N -2 3 359.382 1.724 20 0 FDADHL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001592206141 977241944 /nfs/dbraw/zinc/24/19/44/977241944.db2.gz RUBIJPDGINSVLU-HKQQGCEUSA-N -2 3 356.375 1.026 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccncc1 ZINC000849219777 977368219 /nfs/dbraw/zinc/36/82/19/977368219.db2.gz WVCZXZJGMYSDOY-JTQLQIEISA-N -2 3 358.807 1.271 20 0 FDADHL O=C([N-]CC1CCN(S(=O)(=O)c2ccccc2[O-])CC1)C(F)(F)F ZINC000849391260 977500368 /nfs/dbraw/zinc/50/03/68/977500368.db2.gz MVNLXFSYFZAURI-UHFFFAOYSA-N -2 3 366.361 1.471 20 0 FDADHL C[C@@](CCF)([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001592506411 978318683 /nfs/dbraw/zinc/31/86/83/978318683.db2.gz BWIPYGOYCSAARN-QKVFXAPYSA-N -2 3 358.457 1.454 20 0 FDADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(N)=O)cc1 ZINC000793358816 978804333 /nfs/dbraw/zinc/80/43/33/978804333.db2.gz QZEQCKBIZZGHKJ-UHFFFAOYSA-N -2 3 366.370 1.661 20 0 FDADHL Cc1cc(C)cc(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])c1 ZINC000776531893 978968257 /nfs/dbraw/zinc/96/82/57/978968257.db2.gz UPMKHBVMYDPNOD-GFCCVEGCSA-N -2 3 371.846 1.665 20 0 FDADHL COc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cnc1Cl ZINC000776535380 978984514 /nfs/dbraw/zinc/98/45/14/978984514.db2.gz CORNVULRAHSUKF-ZCFIWIBFSA-N -2 3 362.713 1.428 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000776561550 979260848 /nfs/dbraw/zinc/26/08/48/979260848.db2.gz DYTBFWGBWKZDIG-LBPRGKRZSA-N -2 3 371.846 1.604 20 0 FDADHL C[C@@H](CO[N-]C(=O)CCCn1ccc(C(=O)[O-])n1)NC(=O)OC(C)(C)C ZINC001592780536 979410166 /nfs/dbraw/zinc/41/01/66/979410166.db2.gz HKJYBPIOJCRFTR-NSHDSACASA-N -2 3 370.406 1.323 20 0 FDADHL C[C@@H](CO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001592781199 979413688 /nfs/dbraw/zinc/41/36/88/979413688.db2.gz UGDMLGZLMNSEJM-NSHDSACASA-N -2 3 352.387 1.888 20 0 FDADHL CCC(CC)[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])N1CCOCC1 ZINC001595105548 979424060 /nfs/dbraw/zinc/42/40/60/979424060.db2.gz BIZVXYMDZHMYNM-AWEZNQCLSA-N -2 3 374.459 1.393 20 0 FDADHL CC[C@@H](CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC001595140575 979602054 /nfs/dbraw/zinc/60/20/54/979602054.db2.gz PCHVXNMDNOXLQB-LBPRGKRZSA-N -2 3 358.398 1.300 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c(C)o1 ZINC000826272263 980684382 /nfs/dbraw/zinc/68/43/82/980684382.db2.gz AYPACHOTDVBFSQ-UHFFFAOYSA-N -2 3 353.385 1.257 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c(C)o1 ZINC000826272263 980684384 /nfs/dbraw/zinc/68/43/84/980684384.db2.gz AYPACHOTDVBFSQ-UHFFFAOYSA-N -2 3 353.385 1.257 20 0 FDADHL CCC1CCC([N-]S(=O)(=O)c2c(C)nn3cccnc23)(C(=O)[O-])CC1 ZINC001595431569 981053290 /nfs/dbraw/zinc/05/32/90/981053290.db2.gz WMESNUQSFXMHHC-UHFFFAOYSA-N -2 3 366.443 1.740 20 0 FDADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001595570700 981475200 /nfs/dbraw/zinc/47/52/00/981475200.db2.gz IRMADGQIMBGTHA-JGVFFNPUSA-N -3 3 350.418 1.399 20 0 FDADHL CCCCC[C@@H](C)NC(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666005 982095678 /nfs/dbraw/zinc/09/56/78/982095678.db2.gz BPAXLCCMGGXZIN-CZJPOVKDSA-N -2 3 354.447 1.569 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000859923668 983095123 /nfs/dbraw/zinc/09/51/23/983095123.db2.gz XSTFZWONBXVTPQ-UHFFFAOYSA-N -2 3 364.383 1.183 20 0 FDADHL CCOC(=O)C1(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2ccccn2)CCC1 ZINC001596562775 984440962 /nfs/dbraw/zinc/44/09/62/984440962.db2.gz CSGRZSCRKUMWMD-HNNXBMFYSA-N -2 3 370.427 1.177 20 0 FDADHL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001599888712 984669013 /nfs/dbraw/zinc/66/90/13/984669013.db2.gz NJVXGTYKNNMMFL-LLVKDONJSA-N -2 3 352.354 1.377 20 0 FDADHL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001599888712 984669017 /nfs/dbraw/zinc/66/90/17/984669017.db2.gz NJVXGTYKNNMMFL-LLVKDONJSA-N -2 3 352.354 1.377 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])c(F)c1 ZINC001596726641 984984520 /nfs/dbraw/zinc/98/45/20/984984520.db2.gz XICYNRWYSJHWID-GXFFZTMASA-N -2 3 373.402 1.924 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnc(C2CC2)c1 ZINC000826450645 985651264 /nfs/dbraw/zinc/65/12/64/985651264.db2.gz WTPZXFYVSUZBDP-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnc(C2CC2)c1 ZINC000826450645 985651275 /nfs/dbraw/zinc/65/12/75/985651275.db2.gz 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374.802 1.264 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1COc2ccccc21 ZINC000563067419 546382892 /nfs/dbraw/zinc/38/28/92/546382892.db2.gz GBSVMXSWANLCLW-PSASIEDQSA-N -2 3 354.409 1.684 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCc1nc(C)no1 ZINC000563071941 546386172 /nfs/dbraw/zinc/38/61/72/546386172.db2.gz JFTJRZRTOWHFNI-UHFFFAOYSA-N -2 3 361.401 1.057 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CCOC1 ZINC000564638158 546981781 /nfs/dbraw/zinc/98/17/81/546981781.db2.gz YMAMJGMTKOHFBZ-HZGVNTEJSA-N -2 3 359.347 1.535 20 0 FDADHL C[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)c1nc(C(C)(C)C)no1 ZINC000566173188 547639973 /nfs/dbraw/zinc/63/99/73/547639973.db2.gz HUVYHQVZTMBDAJ-VHSXEESVSA-N -2 3 360.436 1.059 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000566174904 547640764 /nfs/dbraw/zinc/64/07/64/547640764.db2.gz BOKYDNOWQPIYPS-QJPTWQEYSA-N -2 3 350.421 1.848 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@H](O)COc2cccc(C)c2)cc1C(=O)[O-] ZINC000566795610 547887993 /nfs/dbraw/zinc/88/79/93/547887993.db2.gz RNGWKVSCXYBIMH-LBPRGKRZSA-N -2 3 369.395 1.313 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000567451037 548120626 /nfs/dbraw/zinc/12/06/26/548120626.db2.gz HQVPTIXTVNZWMI-ZDUSSCGKSA-N -3 3 365.791 1.193 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCCCCC2)no1 ZINC000569116822 548803562 /nfs/dbraw/zinc/80/35/62/548803562.db2.gz BUOSWBNVTISNDR-GFCCVEGCSA-N -2 3 372.447 1.311 20 0 FDADHL C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1F ZINC000569334357 548879057 /nfs/dbraw/zinc/87/90/57/548879057.db2.gz FFHJYXCPYMGDPC-SNVBAGLBSA-N -2 3 373.406 1.452 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)cc1F ZINC000569423229 548911483 /nfs/dbraw/zinc/91/14/83/548911483.db2.gz FVINBELUTAOABG-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL CC[C@H](C)C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-] ZINC000569931114 549099618 /nfs/dbraw/zinc/09/96/18/549099618.db2.gz SXEJREAMKBTANH-PCJJGOFDSA-N -2 3 361.398 1.360 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000571155031 549544232 /nfs/dbraw/zinc/54/42/32/549544232.db2.gz PZBKZXIQKNERKN-MNOVXSKESA-N -2 3 361.441 1.847 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])nc1C ZINC000571544540 549685368 /nfs/dbraw/zinc/68/53/68/549685368.db2.gz JEAMSTRRCDTBKL-AWEZNQCLSA-N -2 3 351.428 1.433 20 0 FDADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000571758707 549753340 /nfs/dbraw/zinc/75/33/40/549753340.db2.gz TTXZPOYEXJSKED-UHFFFAOYSA-N -2 3 356.429 1.407 20 0 FDADHL Cn1c2cc([O-])c([N-]S(=O)(=O)CCc3ccccc3)cc2n(C)c1=O ZINC000572330672 549890666 /nfs/dbraw/zinc/89/06/66/549890666.db2.gz CNXHDGQZUJUFTA-UHFFFAOYSA-N -2 3 361.423 1.567 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-][C@H](C(=O)[O-])c1scnc1C)c1ccccc1 ZINC000572601147 549952356 /nfs/dbraw/zinc/95/23/56/549952356.db2.gz RGLOZQOVXYTICG-OLZOCXBDSA-N -2 3 370.452 1.884 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)[O-])c1scnc1C)c1ccccc1 ZINC000572601148 549952464 /nfs/dbraw/zinc/95/24/64/549952464.db2.gz RGLOZQOVXYTICG-QWHCGFSZSA-N -2 3 370.452 1.884 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)cc1F ZINC000572799538 549996423 /nfs/dbraw/zinc/99/64/23/549996423.db2.gz NXYWHQFHDHYDJW-SSDOTTSWSA-N -2 3 369.317 1.247 20 0 FDADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)[N-]c1cc(CC)nc2ccccc12 ZINC000572927738 550025470 /nfs/dbraw/zinc/02/54/70/550025470.db2.gz UPIQIPKAXCYQDF-UHFFFAOYSA-N -2 3 374.422 1.920 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000573014266 550045425 /nfs/dbraw/zinc/04/54/25/550045425.db2.gz HJVMDTFDDZTRJL-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL CC[C@H](C)C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000574813762 550375267 /nfs/dbraw/zinc/37/52/67/550375267.db2.gz JJXHMTFXAKZFBS-GARJFASQSA-N -2 3 362.473 1.421 20 0 FDADHL CC[C@](C)(C(=O)[O-])N(CC1=Nc2ccccc2S(=O)(=O)[N-]1)CC1CC1 ZINC000574928056 550394803 /nfs/dbraw/zinc/39/48/03/550394803.db2.gz HAPLFYPLQUIIRK-QGZVFWFLSA-N -2 3 365.455 1.974 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccc(C)o1 ZINC000575746420 550471427 /nfs/dbraw/zinc/47/14/27/550471427.db2.gz YQOBCZONZDQTCP-ZDUSSCGKSA-N -2 3 354.384 1.737 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])cn1C ZINC000575844407 550481662 /nfs/dbraw/zinc/48/16/62/550481662.db2.gz BHPOBSGXOPURNR-ZDUSSCGKSA-N -2 3 367.427 1.354 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000576105026 550510990 /nfs/dbraw/zinc/51/09/90/550510990.db2.gz HSBKXEKOMTYAPM-GFCCVEGCSA-N -2 3 367.427 1.967 20 0 FDADHL CC(C)(C)CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000577850994 550701676 /nfs/dbraw/zinc/70/16/76/550701676.db2.gz WSICFSNGAQCRPJ-GFCCVEGCSA-N -2 3 374.434 1.500 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1 ZINC000579236695 550850928 /nfs/dbraw/zinc/85/09/28/550850928.db2.gz HCIDWLBVZRPNEE-NSHDSACASA-N -2 3 361.391 1.306 20 0 FDADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)CCOC(F)(F)F)OCCO2 ZINC000579418323 550871025 /nfs/dbraw/zinc/87/10/25/550871025.db2.gz CFMNIUJSKXVONZ-UHFFFAOYSA-N -2 3 371.289 1.434 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000579833305 550915367 /nfs/dbraw/zinc/91/53/67/550915367.db2.gz SULGOLVUDNAYND-ZCFIWIBFSA-N -2 3 359.335 1.263 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c3ccncc3)cn21 ZINC000579972887 550930095 /nfs/dbraw/zinc/93/00/95/550930095.db2.gz NSKISXVMTGTXON-WCQYABFASA-N -2 3 364.427 1.670 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)C(=O)[O-])cc1OC ZINC000581229192 551065567 /nfs/dbraw/zinc/06/55/67/551065567.db2.gz OGVWHJPLWHBCHK-SECBINFHSA-N -2 3 359.404 1.394 20 0 FDADHL Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000581605613 551111106 /nfs/dbraw/zinc/11/11/06/551111106.db2.gz OIQMSOICMACDNP-JTQLQIEISA-N -2 3 356.425 1.896 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2scnc2C)c(F)c1 ZINC000581701293 551124056 /nfs/dbraw/zinc/12/40/56/551124056.db2.gz QRWCMBYKICRUCN-NSHDSACASA-N -2 3 360.388 1.703 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cnc2c1Cl ZINC000582236680 551194712 /nfs/dbraw/zinc/19/47/12/551194712.db2.gz ICYAZYQGBRKBBH-LDYMZIIASA-N -2 3 374.850 1.715 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)[O-] ZINC000582360427 551213092 /nfs/dbraw/zinc/21/30/92/551213092.db2.gz MWAHTWVNADEIDC-LLVKDONJSA-N -2 3 374.850 1.859 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000582839179 551272553 /nfs/dbraw/zinc/27/25/53/551272553.db2.gz UTBLUEYATLBMDJ-KCJUWKMLSA-N -2 3 371.333 1.320 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)cc1F ZINC000583540546 551366703 /nfs/dbraw/zinc/36/67/03/551366703.db2.gz ONJROOGSAWVJKP-NSHDSACASA-N -2 3 373.381 1.229 20 0 FDADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)Cc2ccon2)c(OC)c1 ZINC000583562706 551369962 /nfs/dbraw/zinc/36/99/62/551369962.db2.gz IBXXXBTUUYCBSB-CYBMUJFWSA-N -2 3 370.383 1.327 20 0 FDADHL O=S(=O)([N-]CCN=c1[n-]c(C2CCC2)no1)c1ccc(F)cc1F ZINC000584034512 551437098 /nfs/dbraw/zinc/43/70/98/551437098.db2.gz ZFCPIXVSVSPMOL-UHFFFAOYSA-N -2 3 358.370 1.428 20 0 FDADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000584348897 551484246 /nfs/dbraw/zinc/48/42/46/551484246.db2.gz QYFKCCKMZCXEJR-UHFFFAOYSA-N -2 3 359.429 1.229 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-]CCCCn1cc(C(=O)[O-])nn1 ZINC000584767422 551544359 /nfs/dbraw/zinc/54/43/59/551544359.db2.gz PDCMETXGJDAGTO-UHFFFAOYSA-N -2 3 356.379 1.183 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000593218989 552074177 /nfs/dbraw/zinc/07/41/77/552074177.db2.gz ZEUNEFGOOZMFHP-UHFFFAOYSA-N -2 3 373.402 1.924 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000593218884 552074209 /nfs/dbraw/zinc/07/42/09/552074209.db2.gz YDTQTTKQFHDFRC-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000593273576 552080193 /nfs/dbraw/zinc/08/01/93/552080193.db2.gz XWPYGXGJWCUMLP-SNVBAGLBSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000593277882 552081480 /nfs/dbraw/zinc/08/14/80/552081480.db2.gz MJHRRQUKFUGWBR-SNVBAGLBSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945837 552231564 /nfs/dbraw/zinc/23/15/64/552231564.db2.gz YIMNNUHTIZCSHS-OUAUKWLOSA-N -2 3 370.427 1.282 20 0 FDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000594694282 552356324 /nfs/dbraw/zinc/35/63/24/552356324.db2.gz HZOJYHNLCGPUJW-WFASDCNBSA-N -2 3 373.427 1.362 20 0 FDADHL CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000594700337 552358437 /nfs/dbraw/zinc/35/84/37/552358437.db2.gz RBBPFMWUYQOSPA-SNVBAGLBSA-N -2 3 369.317 1.547 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)cc1F ZINC000596026450 552646200 /nfs/dbraw/zinc/64/62/00/552646200.db2.gz KCRSMNSSHDGTQJ-LBPRGKRZSA-N -2 3 359.375 1.392 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000606303610 554056408 /nfs/dbraw/zinc/05/64/08/554056408.db2.gz XEOPOIYONXOVHV-SNVBAGLBSA-N -2 3 374.415 1.656 20 0 FDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614914859 555136207 /nfs/dbraw/zinc/13/62/07/555136207.db2.gz OZPXIGGXSQIQRV-UHFFFAOYSA-N -2 3 363.324 1.242 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(F)c1 ZINC000621302335 556064778 /nfs/dbraw/zinc/06/47/78/556064778.db2.gz AGXXYXSAWQMWKB-QMMMGPOBSA-N -2 3 372.390 1.521 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628539680 557641737 /nfs/dbraw/zinc/64/17/37/557641737.db2.gz LPGHRYLGXYLMJF-MRVPVSSYSA-N -2 3 372.497 1.379 20 0 FDADHL CCOC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)CCOCC1 ZINC000629289769 557753498 /nfs/dbraw/zinc/75/34/98/557753498.db2.gz KLYULIQQNYWKAX-UHFFFAOYSA-N -2 3 359.400 1.418 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000629296804 557755751 /nfs/dbraw/zinc/75/57/51/557755751.db2.gz KVIMLMHBNNKXOI-GFCCVEGCSA-N -2 3 374.415 1.788 20 0 FDADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cnn3c2OCCC3)(C(=O)[O-])C1 ZINC000629335091 557767327 /nfs/dbraw/zinc/76/73/27/557767327.db2.gz JXKAQHUJKLHPOY-HNNXBMFYSA-N -2 3 357.432 1.368 20 0 FDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cscc2Br)C1 ZINC000630413766 557906956 /nfs/dbraw/zinc/90/69/56/557906956.db2.gz LEKZDOCMZNKATD-BQBZGAKWSA-N -2 3 352.231 1.818 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCCO1 ZINC000630422155 557907928 /nfs/dbraw/zinc/90/79/28/557907928.db2.gz KNAHWTJGJJZJFM-MWLCHTKSSA-N -2 3 371.308 1.755 20 0 FDADHL C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)CC(=O)[O-] ZINC000271946992 674398976 /nfs/dbraw/zinc/39/89/76/674398976.db2.gz INQNLEZBWSVUTE-SNVBAGLBSA-N -2 3 374.434 1.743 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737511982 598842115 /nfs/dbraw/zinc/84/21/15/598842115.db2.gz QGXLPQSZXXDDBO-UHFFFAOYSA-N -2 3 351.367 1.157 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737511982 598842116 /nfs/dbraw/zinc/84/21/16/598842116.db2.gz QGXLPQSZXXDDBO-UHFFFAOYSA-N -2 3 351.367 1.157 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000736778838 598911805 /nfs/dbraw/zinc/91/18/05/598911805.db2.gz GTIXRIPSZPGSBV-UHFFFAOYSA-N -2 3 363.378 1.268 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000736778838 598911806 /nfs/dbraw/zinc/91/18/06/598911806.db2.gz GTIXRIPSZPGSBV-UHFFFAOYSA-N -2 3 363.378 1.268 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000737225851 598947788 /nfs/dbraw/zinc/94/77/88/598947788.db2.gz VAXDRYZIFJBGQJ-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000737225851 598947790 /nfs/dbraw/zinc/94/77/90/598947790.db2.gz VAXDRYZIFJBGQJ-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737383520 598978278 /nfs/dbraw/zinc/97/82/78/598978278.db2.gz AVMFEIAVEOHGER-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737383520 598978279 /nfs/dbraw/zinc/97/82/79/598978279.db2.gz AVMFEIAVEOHGER-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000737313701 598978378 /nfs/dbraw/zinc/97/83/78/598978378.db2.gz YTHVVXOFPAYXFO-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000737313701 598978379 /nfs/dbraw/zinc/97/83/79/598978379.db2.gz YTHVVXOFPAYXFO-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL CN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485464892 596899454 /nfs/dbraw/zinc/89/94/54/596899454.db2.gz JEZLLHJKKNNFCJ-UHFFFAOYSA-N -2 3 355.347 1.111 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cc(F)c(F)c(F)c1 ZINC000823583147 599231817 /nfs/dbraw/zinc/23/18/17/599231817.db2.gz IVIXXOWGCCUAHG-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc(F)c(F)c(F)c1 ZINC000823583147 599231819 /nfs/dbraw/zinc/23/18/19/599231819.db2.gz IVIXXOWGCCUAHG-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821499605 599232933 /nfs/dbraw/zinc/23/29/33/599232933.db2.gz NPDJMVHVNKUULT-UHFFFAOYSA-N -2 3 354.392 1.826 20 0 FDADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821499605 599232936 /nfs/dbraw/zinc/23/29/36/599232936.db2.gz NPDJMVHVNKUULT-UHFFFAOYSA-N -2 3 354.392 1.826 20 0 FDADHL O=C([O-])COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000738615375 596983413 /nfs/dbraw/zinc/98/34/13/596983413.db2.gz HOZSLANHOALCSL-UHFFFAOYSA-N -2 3 353.327 1.868 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000821838808 599234212 /nfs/dbraw/zinc/23/42/12/599234212.db2.gz PMVKWVFRTRCAHN-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000821838808 599234214 /nfs/dbraw/zinc/23/42/14/599234214.db2.gz PMVKWVFRTRCAHN-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC000821837356 599234356 /nfs/dbraw/zinc/23/43/56/599234356.db2.gz CQYXJWOLERIQRR-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL CC(C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000262843346 598075015 /nfs/dbraw/zinc/07/50/15/598075015.db2.gz VCHDTSSXJSLERN-UHFFFAOYSA-N -2 3 354.837 1.001 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCCC1 ZINC000738139065 598307685 /nfs/dbraw/zinc/30/76/85/598307685.db2.gz KDHAPLSTAARCKQ-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000738139065 598307686 /nfs/dbraw/zinc/30/76/86/598307686.db2.gz KDHAPLSTAARCKQ-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737391847 598373380 /nfs/dbraw/zinc/37/33/80/598373380.db2.gz KLDBNWVCFDGVCA-UHFFFAOYSA-N -2 3 371.422 1.364 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391847 598373382 /nfs/dbraw/zinc/37/33/82/598373382.db2.gz KLDBNWVCFDGVCA-UHFFFAOYSA-N -2 3 371.422 1.364 20 0 FDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735963220 598451105 /nfs/dbraw/zinc/45/11/05/598451105.db2.gz BXYWNHAGOJGVMY-JTQLQIEISA-N -2 3 359.415 1.835 20 0 FDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735963220 598451106 /nfs/dbraw/zinc/45/11/06/598451106.db2.gz BXYWNHAGOJGVMY-JTQLQIEISA-N -2 3 359.415 1.835 20 0 FDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736664044 598481348 /nfs/dbraw/zinc/48/13/48/598481348.db2.gz HSBCYSLWDMXBEV-GFCCVEGCSA-N -2 3 369.472 1.449 20 0 FDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736664044 598481350 /nfs/dbraw/zinc/48/13/50/598481350.db2.gz HSBCYSLWDMXBEV-GFCCVEGCSA-N -2 3 369.472 1.449 20 0 FDADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000736202270 598606833 /nfs/dbraw/zinc/60/68/33/598606833.db2.gz IEYGCYJJKWYKPX-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000736202270 598606835 /nfs/dbraw/zinc/60/68/35/598606835.db2.gz IEYGCYJJKWYKPX-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000736939998 598637634 /nfs/dbraw/zinc/63/76/34/598637634.db2.gz JVDFSTIMCRKLOJ-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000736939998 598637636 /nfs/dbraw/zinc/63/76/36/598637636.db2.gz JVDFSTIMCRKLOJ-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1sccc1-c1nnn[n-]1 ZINC000738179558 598821172 /nfs/dbraw/zinc/82/11/72/598821172.db2.gz WIGGOYBMKBVHRN-UHFFFAOYSA-N -2 3 355.339 1.524 20 0 FDADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1sccc1-c1nn[n-]n1 ZINC000738179558 598821173 /nfs/dbraw/zinc/82/11/73/598821173.db2.gz WIGGOYBMKBVHRN-UHFFFAOYSA-N -2 3 355.339 1.524 20 0 FDADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735655518 599361479 /nfs/dbraw/zinc/36/14/79/599361479.db2.gz PQGVKKZDUKAPDY-UHFFFAOYSA-N -2 3 365.444 1.817 20 0 FDADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735655518 599361482 /nfs/dbraw/zinc/36/14/82/599361482.db2.gz PQGVKKZDUKAPDY-UHFFFAOYSA-N -2 3 365.444 1.817 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1-c1nnn[n-]1 ZINC000820177919 607375550 /nfs/dbraw/zinc/37/55/50/607375550.db2.gz DVDWSUNVOXFTGK-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1-c1nn[n-]n1 ZINC000820177919 607375551 /nfs/dbraw/zinc/37/55/51/607375551.db2.gz DVDWSUNVOXFTGK-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1-c1nnn[n-]1 ZINC000820178200 607375553 /nfs/dbraw/zinc/37/55/53/607375553.db2.gz KQTLESLGIXQHNZ-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1-c1nn[n-]n1 ZINC000820178200 607375554 /nfs/dbraw/zinc/37/55/54/607375554.db2.gz KQTLESLGIXQHNZ-UHFFFAOYSA-N -2 3 363.403 1.188 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1Cc2ccccc21 ZINC000823285230 599620136 /nfs/dbraw/zinc/62/01/36/599620136.db2.gz OKKGEYPZBLYRKV-OAHLLOKOSA-N -2 3 369.406 1.153 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1Cc2ccccc21 ZINC000823285230 599620137 /nfs/dbraw/zinc/62/01/37/599620137.db2.gz OKKGEYPZBLYRKV-OAHLLOKOSA-N -2 3 369.406 1.153 20 0 FDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203314 599620163 /nfs/dbraw/zinc/62/01/63/599620163.db2.gz ODSOMVWLXDUMRE-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203314 599620164 /nfs/dbraw/zinc/62/01/64/599620164.db2.gz ODSOMVWLXDUMRE-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000821772709 599620277 /nfs/dbraw/zinc/62/02/77/599620277.db2.gz MPXFATPBKWZYPI-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000821772709 599620278 /nfs/dbraw/zinc/62/02/78/599620278.db2.gz MPXFATPBKWZYPI-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203306 599620325 /nfs/dbraw/zinc/62/03/25/599620325.db2.gz NLEKFPJJTCZZCW-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203306 599620326 /nfs/dbraw/zinc/62/03/26/599620326.db2.gz NLEKFPJJTCZZCW-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822941338 599623542 /nfs/dbraw/zinc/62/35/42/599623542.db2.gz VBKJIFPDPGWAOE-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822941338 599623543 /nfs/dbraw/zinc/62/35/43/599623543.db2.gz VBKJIFPDPGWAOE-UHFFFAOYSA-N -2 3 355.807 1.515 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCc2sccc2C1 ZINC000736606650 599769914 /nfs/dbraw/zinc/76/99/14/599769914.db2.gz HHUVOZBDDTTYAW-SNVBAGLBSA-N -2 3 370.452 1.764 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)o1 ZINC000740175132 599776061 /nfs/dbraw/zinc/77/60/61/599776061.db2.gz GRUSPWDMYXJOTP-GFCCVEGCSA-N -2 3 364.379 1.057 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000261766322 599796950 /nfs/dbraw/zinc/79/69/50/599796950.db2.gz YJFXSDDYKFABJW-LBPRGKRZSA-N -2 3 366.798 1.825 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000826292607 607398111 /nfs/dbraw/zinc/39/81/11/607398111.db2.gz CMVWNGFGTMXJDN-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000826292607 607398113 /nfs/dbraw/zinc/39/81/13/607398113.db2.gz CMVWNGFGTMXJDN-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1OC ZINC000737226412 599844755 /nfs/dbraw/zinc/84/47/55/599844755.db2.gz LKWWSNHYKDAFSW-CYBMUJFWSA-N -2 3 373.431 1.688 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000327646472 599936878 /nfs/dbraw/zinc/93/68/78/599936878.db2.gz UNOAMKGRCXIEKL-OAHLLOKOSA-N -2 3 363.391 1.886 20 0 FDADHL O=C([O-])c1cccc(NC(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000739316563 600164894 /nfs/dbraw/zinc/16/48/94/600164894.db2.gz UXIDLAGTDDKSKH-UHFFFAOYSA-N -2 3 372.333 1.002 20 0 FDADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1 ZINC000739742997 600513389 /nfs/dbraw/zinc/51/33/89/600513389.db2.gz QSXUXDOMFRXXSZ-UHFFFAOYSA-N -2 3 361.379 1.989 20 0 FDADHL CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000737220991 600533694 /nfs/dbraw/zinc/53/36/94/600533694.db2.gz XHJUREIHIKCFSW-UHFFFAOYSA-N -2 3 356.342 1.269 20 0 FDADHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000736155808 600565067 /nfs/dbraw/zinc/56/50/67/600565067.db2.gz KNHLFUPZXUYWAQ-UHFFFAOYSA-N -2 3 364.379 1.527 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1Cl ZINC000826211453 607460483 /nfs/dbraw/zinc/46/04/83/607460483.db2.gz FFFPFIHTFXCWJH-UHFFFAOYSA-N -2 3 355.767 1.053 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000737692199 600946486 /nfs/dbraw/zinc/94/64/86/600946486.db2.gz XGFYVTIKZXHSHY-LLVKDONJSA-N -2 3 361.391 1.638 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833027080 601214749 /nfs/dbraw/zinc/21/47/49/601214749.db2.gz AWVMLWXKMUTSNA-CQSZACIVSA-N -2 3 364.423 1.839 20 0 FDADHL COC(=O)CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831152201 601232813 /nfs/dbraw/zinc/23/28/13/601232813.db2.gz NXBPSASCXDIOIY-UHFFFAOYSA-N -2 3 351.327 1.285 20 0 FDADHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833020436 601235241 /nfs/dbraw/zinc/23/52/41/601235241.db2.gz SRYQRTRBFKSBBR-UHFFFAOYSA-N -2 3 360.338 1.789 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c(C)o1 ZINC000831029574 601267107 /nfs/dbraw/zinc/26/71/07/601267107.db2.gz WXIFNYKLEZYJCW-UHFFFAOYSA-N -2 3 363.351 1.911 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)c(C)o1 ZINC000831029121 601281687 /nfs/dbraw/zinc/28/16/87/601281687.db2.gz HYGCXJUSYZTDBI-UHFFFAOYSA-N -2 3 359.385 1.212 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000761631217 601288924 /nfs/dbraw/zinc/28/89/24/601288924.db2.gz WDLKBWVVILQKRP-CQSZACIVSA-N -2 3 366.395 1.394 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCOC1 ZINC000370141840 601595356 /nfs/dbraw/zinc/59/53/56/601595356.db2.gz ISOAGEXMBSZGJJ-NSHDSACASA-N -2 3 368.180 1.110 20 0 FDADHL O=c1[n-]c(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)n[nH]1 ZINC000826501225 607522360 /nfs/dbraw/zinc/52/23/60/607522360.db2.gz GAFQXLQTSZPYNA-UHFFFAOYSA-N -2 3 361.728 1.065 20 0 FDADHL O=c1[n-]c(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)n[nH]1 ZINC000826501225 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370.196 1.355 20 0 FDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000670383816 883458513 /nfs/dbraw/zinc/45/85/13/883458513.db2.gz NLJXADCORDNDOD-JTQLQIEISA-N -2 3 361.402 1.897 20 0 FDADHL C[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000766972673 929031506 /nfs/dbraw/zinc/03/15/06/929031506.db2.gz HEZBXBAYBAWYJP-VIFPVBQESA-N -2 3 370.402 1.344 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@@H](O)Cc1ccccc1 ZINC000772196541 931142076 /nfs/dbraw/zinc/14/20/76/931142076.db2.gz ABKYOTZHAVMCER-AAEUAGOBSA-N -2 3 370.814 1.070 20 0 FDADHL CNS(=O)(=O)c1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1[O-] ZINC000788167439 932594297 /nfs/dbraw/zinc/59/42/97/932594297.db2.gz QYZABWFYPVWRRT-UHFFFAOYSA-N -2 3 374.378 1.201 20 0 FDADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1 ZINC000804610680 938488873 /nfs/dbraw/zinc/48/88/73/938488873.db2.gz KLWUWIVCSLTCPI-UHFFFAOYSA-N -2 3 365.198 1.299 20 0 FDADHL CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000811682257 941151416 /nfs/dbraw/zinc/15/14/16/941151416.db2.gz SKWZETFMSANWNG-RITPCOANSA-N -2 3 356.194 1.442 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c(F)cc1F ZINC001195258893 970798663 /nfs/dbraw/zinc/79/86/63/970798663.db2.gz SNPRAMGAUFHSDK-ZDUSSCGKSA-N -2 3 363.382 1.883 20 0 FDADHL CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195260540 970800095 /nfs/dbraw/zinc/80/00/95/970800095.db2.gz ZEHLYGKVNNYMIS-UHFFFAOYSA-N -2 3 364.370 1.246 20 0 FDADHL C[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415455 971135448 /nfs/dbraw/zinc/13/54/48/971135448.db2.gz LQSSVBGFPNHDSF-KCJUWKMLSA-N -2 3 372.347 1.589 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000824732045 946919132 /nfs/dbraw/zinc/91/91/32/946919132.db2.gz ZOVGGRUUCMEXDN-AAEUAGOBSA-N -2 3 359.386 1.490 20 0 FDADHL CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)OC)c1[O-] ZINC001195974763 971345593 /nfs/dbraw/zinc/34/55/93/971345593.db2.gz KJTKHABROUXXQQ-UHFFFAOYSA-N -2 3 351.764 1.137 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143651941 947379367 /nfs/dbraw/zinc/37/93/67/947379367.db2.gz FLTNFAPLJGFXPC-NSHDSACASA-N -2 3 355.249 1.813 20 0 FDADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCOCC1 ZINC000844784600 948385268 /nfs/dbraw/zinc/38/52/68/948385268.db2.gz GZCDXAOLVKILKH-LLVKDONJSA-N -2 3 366.798 1.422 20 0 FDADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n1 ZINC000844888380 948470475 /nfs/dbraw/zinc/47/04/75/948470475.db2.gz GDEZYFSTNXWMFA-UHFFFAOYSA-N -2 3 358.445 1.351 20 0 FDADHL C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001575249408 949096393 /nfs/dbraw/zinc/09/63/93/949096393.db2.gz BOLBABXRRWVXSM-SECBINFHSA-N -2 3 373.392 1.600 20 0 FDADHL O=C([O-])c1ccnc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC001595263276 949714275 /nfs/dbraw/zinc/71/42/75/949714275.db2.gz MLJDRDZHHQKMSV-UHFFFAOYSA-N -2 3 370.365 1.475 20 0 FDADHL O=S(=O)([O-])CCCCN1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144659499 950359598 /nfs/dbraw/zinc/35/95/98/950359598.db2.gz KVQXKUDJIHGEJV-UHFFFAOYSA-N -2 3 364.414 1.456 20 0 FDADHL CCO[N-]C(=O)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001144846534 951203289 /nfs/dbraw/zinc/20/32/89/951203289.db2.gz GUHMHHHHSNYKGO-UHFFFAOYSA-N -2 3 368.187 1.088 20 0 FDADHL O=C([O-])COCCOCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001595115896 951944414 /nfs/dbraw/zinc/94/44/14/951944414.db2.gz DQNSXJADDZEJTK-UHFFFAOYSA-N -2 3 368.773 1.029 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001593869649 955618787 /nfs/dbraw/zinc/61/87/87/955618787.db2.gz JLFVFJDSTWFWNX-MNOVXSKESA-N -2 3 359.375 1.452 20 0 FDADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594046230 957929174 /nfs/dbraw/zinc/92/91/74/957929174.db2.gz WRASGAAIQADMMO-JTQLQIEISA-N -2 3 373.365 1.580 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(OCC(F)(F)F)cn1 ZINC001197657012 972339243 /nfs/dbraw/zinc/33/92/43/972339243.db2.gz QTMBOERYPHDXSG-UHFFFAOYSA-N -2 3 356.237 1.710 20 0 FDADHL CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC001573355870 958575646 /nfs/dbraw/zinc/57/56/46/958575646.db2.gz GQYJPSZVJKKREX-CYBMUJFWSA-N -2 3 366.324 1.412 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccccc2C(=O)[O-])s1 ZINC001588525779 958853383 /nfs/dbraw/zinc/85/33/83/958853383.db2.gz DLEIEXKAXMAPMJ-UHFFFAOYSA-N -2 3 355.397 1.278 20 0 FDADHL C[C@H](C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001588572527 959189994 /nfs/dbraw/zinc/18/99/94/959189994.db2.gz IFIQDBITMKVLQX-ZETCQYMHSA-N -2 3 369.226 1.109 20 0 FDADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594489717 959687029 /nfs/dbraw/zinc/68/70/29/959687029.db2.gz MHOIOQFUIKSYSQ-KRWDZBQOSA-N -2 3 374.422 1.359 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-]CCCCC(=O)[O-])c1ccccc1F ZINC001604914270 972471117 /nfs/dbraw/zinc/47/11/17/972471117.db2.gz RPKLFTGXESYXNS-NRFANRHFSA-N -2 3 352.409 1.372 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)[C@H]1CCOC1 ZINC001344581162 962205611 /nfs/dbraw/zinc/20/56/11/962205611.db2.gz KWALIYMRVNSXNK-UFBFGSQYSA-N -2 3 358.188 1.622 20 0 FDADHL Cn1ccc(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c1CC(=O)[O-] ZINC001177363566 963802352 /nfs/dbraw/zinc/80/23/52/963802352.db2.gz MASQPWHCQQJYSV-UHFFFAOYSA-N -2 3 367.365 1.448 20 0 FDADHL COc1cccc(CO)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185605156 964001893 /nfs/dbraw/zinc/00/18/93/964001893.db2.gz UAIINRJLTJQVMV-UHFFFAOYSA-N -2 3 361.383 1.168 20 0 FDADHL COc1cccc(CO)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185605156 964001900 /nfs/dbraw/zinc/00/19/00/964001900.db2.gz UAIINRJLTJQVMV-UHFFFAOYSA-N -2 3 361.383 1.168 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001179648366 964934322 /nfs/dbraw/zinc/93/43/22/964934322.db2.gz CAUBTUBBRANILG-HNNXBMFYSA-N -2 3 364.379 1.850 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188749671 966519486 /nfs/dbraw/zinc/51/94/86/966519486.db2.gz DRWSCYFPTWZEJU-UHFFFAOYSA-N -2 3 367.669 1.815 20 0 FDADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000776589255 967266270 /nfs/dbraw/zinc/26/62/70/967266270.db2.gz IGSGWRSCRKAJFO-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1F ZINC000776594720 967288810 /nfs/dbraw/zinc/28/88/10/967288810.db2.gz CCXZKZPALZZCDK-GJZGRUSLSA-N -2 3 371.361 1.738 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)c(F)cc1F ZINC000776597212 967349678 /nfs/dbraw/zinc/34/96/78/967349678.db2.gz AWAKFSDDXLUVRU-CABCVRRESA-N -2 3 371.361 1.738 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c1F ZINC000776613372 967469385 /nfs/dbraw/zinc/46/93/85/967469385.db2.gz IVLXUYSIYGLCIA-LBPRGKRZSA-N -2 3 363.338 1.283 20 0 FDADHL COc1cccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852735241 967562952 /nfs/dbraw/zinc/56/29/52/967562952.db2.gz GXAJEOJPPIQFLO-STQMWFEESA-N -2 3 360.332 1.791 20 0 FDADHL CC(C)CCOCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852736891 967567314 /nfs/dbraw/zinc/56/73/14/967567314.db2.gz PFYCXEJXGCIZMV-NEPJUHHUSA-N -2 3 354.369 1.645 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c1F ZINC000776621965 967609159 /nfs/dbraw/zinc/60/91/59/967609159.db2.gz AXUKQQKFGSIYMC-MRVPVSSYSA-N -2 3 365.354 1.531 20 0 FDADHL CSc1ncc(C(=O)NCCCCP(=O)([O-])[O-])c(C(F)(F)F)n1 ZINC001192667110 969244487 /nfs/dbraw/zinc/24/44/87/969244487.db2.gz KBOKUFYZDJAEBJ-UHFFFAOYSA-N -2 3 373.293 1.905 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1 ZINC001194782853 970391566 /nfs/dbraw/zinc/39/15/66/970391566.db2.gz XDUMZOCBFMPFIK-UHFFFAOYSA-N -2 3 364.305 1.295 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC)CC(=O)[O-])c1 ZINC000794762478 973827434 /nfs/dbraw/zinc/82/74/34/973827434.db2.gz SWZQMOYIWFJGDQ-SNVBAGLBSA-N -2 3 361.391 1.782 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1 ZINC000794762859 973828320 /nfs/dbraw/zinc/82/83/20/973828320.db2.gz QBXMUFIIBZSPPU-LBPRGKRZSA-N -2 3 361.391 1.780 20 0 FDADHL COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(=O)[O-] ZINC000015662057 974306779 /nfs/dbraw/zinc/30/67/79/974306779.db2.gz FLFYDOZYWRRWDS-ZSOIEALJSA-N -2 3 353.330 1.969 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c1 ZINC000848675749 976991390 /nfs/dbraw/zinc/99/13/90/976991390.db2.gz IAFHJVWNUFXQHM-ZDUSSCGKSA-N -2 3 359.375 1.452 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1 ZINC000848676482 976992545 /nfs/dbraw/zinc/99/25/45/976992545.db2.gz VHLKJQGMZZSRMW-NSHDSACASA-N -2 3 361.391 1.698 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c1 ZINC000848678265 976994357 /nfs/dbraw/zinc/99/43/57/976994357.db2.gz AKUXOYAPYMDPCW-NSHDSACASA-N -2 3 359.375 1.452 20 0 FDADHL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001592206143 977241966 /nfs/dbraw/zinc/24/19/66/977241966.db2.gz RUBIJPDGINSVLU-NOKZVFQSSA-N -2 3 356.375 1.026 20 0 FDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Br)cc(F)c1[O-] ZINC000868383712 977580364 /nfs/dbraw/zinc/58/03/64/977580364.db2.gz XYCNGJCWVINHEL-UHFFFAOYSA-N -2 3 358.167 1.680 20 0 FDADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776438671 977748902 /nfs/dbraw/zinc/74/89/02/977748902.db2.gz XJODQNPZIQTJEC-ZETCQYMHSA-N -2 3 365.198 1.086 20 0 FDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001592470484 978222619 /nfs/dbraw/zinc/22/26/19/978222619.db2.gz LKBOGQCMPCDZED-RXMQYKEDSA-N -3 3 370.177 1.272 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(NC(N)=O)cc2)cc1C(=O)[O-] ZINC000833027841 979070884 /nfs/dbraw/zinc/07/08/84/979070884.db2.gz YOKJTPLUAVPIMD-UHFFFAOYSA-N -2 3 353.356 1.255 20 0 FDADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1(CC)CC ZINC000833660151 979216744 /nfs/dbraw/zinc/21/67/44/979216744.db2.gz MKDIXPSXISSFBN-GHMZBOCLSA-N -2 3 359.448 1.678 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000776561549 979260748 /nfs/dbraw/zinc/26/07/48/979260748.db2.gz DYTBFWGBWKZDIG-GFCCVEGCSA-N -2 3 371.846 1.604 20 0 FDADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001595056856 979294690 /nfs/dbraw/zinc/29/46/90/979294690.db2.gz GENGVUAHEPGTNV-UHFFFAOYSA-N -2 3 368.253 1.494 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)C(=O)[O-] ZINC001592815839 979510961 /nfs/dbraw/zinc/51/09/61/979510961.db2.gz KGJGPRFCAUTSAW-IACUBPJLSA-N -2 3 357.428 1.519 20 0 FDADHL C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593039536 980318236 /nfs/dbraw/zinc/31/82/36/980318236.db2.gz AYYGWYMLUSZUFN-RYUDHWBXSA-N -2 3 371.393 1.807 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](O)C(C)C ZINC001595312505 980474259 /nfs/dbraw/zinc/47/42/59/980474259.db2.gz CAHAQBGOIHFBCO-RNCFNFMXSA-N -2 3 351.371 1.737 20 0 FDADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@H](C)[C@H]1OC ZINC001595373746 980876508 /nfs/dbraw/zinc/87/65/08/980876508.db2.gz NYKLEKLWLNMCSJ-JMJZKYOTSA-N -2 3 362.473 1.959 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c1-c1nn[n-]n1 ZINC000826299653 981924680 /nfs/dbraw/zinc/92/46/80/981924680.db2.gz OLGHQNADLLCVQZ-UHFFFAOYSA-N -2 3 370.438 1.968 20 0 FDADHL CCCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC001595686718 982176268 /nfs/dbraw/zinc/17/62/68/982176268.db2.gz GQGIHRYKZDINFX-NSHDSACASA-N -2 3 361.391 1.924 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826322719 982180855 /nfs/dbraw/zinc/18/08/55/982180855.db2.gz YWYZZISCGZOYJB-UHFFFAOYSA-N -2 3 361.431 1.997 20 0 FDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(=O)[O-] ZINC001594952746 982672670 /nfs/dbraw/zinc/67/26/70/982672670.db2.gz JMDNCKREHBJEAW-RDDDGLTNSA-N -3 3 365.354 1.831 20 0 FDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001594952961 982675398 /nfs/dbraw/zinc/67/53/98/982675398.db2.gz PCGXJCFMAXIPMP-SFYZADRCSA-N -2 3 350.418 1.097 20 0 FDADHL CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccco1 ZINC001594993782 982865545 /nfs/dbraw/zinc/86/55/45/982865545.db2.gz CDBTWLWTQKGNMY-MWLCHTKSSA-N -2 3 357.388 1.374 20 0 FDADHL COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)oc1C ZINC001120294794 983024878 /nfs/dbraw/zinc/02/48/78/983024878.db2.gz UTYXEYCXVMDPBA-UHFFFAOYSA-N -2 3 371.342 1.690 20 0 FDADHL CCOC(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001596554630 984425033 /nfs/dbraw/zinc/42/50/33/984425033.db2.gz BBEUZNSUMJSDKF-UHFFFAOYSA-N -2 3 363.338 1.285 20 0 FDADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001596620354 984593528 /nfs/dbraw/zinc/59/35/28/984593528.db2.gz UTLUUIGKZHNMRY-UHFFFAOYSA-N -2 3 363.338 1.891 20 0 FDADHL C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001599905347 984914150 /nfs/dbraw/zinc/91/41/50/984914150.db2.gz ZRYVIQQYKYSZLK-GWCFXTLKSA-N -2 3 357.428 1.953 20 0 FDADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)o1 ZINC001596718883 984954306 /nfs/dbraw/zinc/95/43/06/984954306.db2.gz FGFIFBKUKUTCIO-UHFFFAOYSA-N -2 3 368.367 1.336 20 0 FDADHL CCOC(=O)c1nnc([C@H](C)NCc2ccc(O[C@H](C)C(=O)[O-])cc2)[n-]1 ZINC001596748878 985080377 /nfs/dbraw/zinc/08/03/77/985080377.db2.gz LZGUPEHMQNXIIO-WDEREUQCSA-N -2 3 362.386 1.684 20 0 FDADHL C[C@@H](O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)[O-] ZINC001599844186 988904571 /nfs/dbraw/zinc/90/45/71/988904571.db2.gz QSYUXKVDQGWJPM-MUWHJKNJSA-N -2 3 352.131 1.491 20 0 FDADHL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C ZINC000363571748 989312345 /nfs/dbraw/zinc/31/23/45/989312345.db2.gz UCMHQQGDCZEGQW-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001590291432 989708986 /nfs/dbraw/zinc/70/89/86/989708986.db2.gz OXSZLNMOQCVHAE-AOOOYVTPSA-N -2 3 374.415 1.559 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC(C)(C)C ZINC001590988696 991187635 /nfs/dbraw/zinc/18/76/35/991187635.db2.gz AUTCGWGQVUJMCG-LLVKDONJSA-N -2 3 361.416 1.870 20 0 FDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001598325536 991343519 /nfs/dbraw/zinc/34/35/19/991343519.db2.gz NLMJYKQPNGKANB-UHFFFAOYSA-N -3 3 364.379 1.950 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](O)c1ccccc1 ZINC001591036433 991363987 /nfs/dbraw/zinc/36/39/87/991363987.db2.gz UMVFLPBDNBXCCI-JSGCOSHPSA-N -2 3 370.452 1.878 20 0 FDADHL CN(C)c1cccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001598345994 991421269 /nfs/dbraw/zinc/42/12/69/991421269.db2.gz LPYRXEBMUGWGAW-UHFFFAOYSA-N -2 3 359.791 1.571 20 0 FDADHL CN(C)c1nc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc(=O)[n-]1 ZINC001598354609 991472155 /nfs/dbraw/zinc/47/21/55/991472155.db2.gz NNIPQROPHSUQTE-NSHDSACASA-N -2 3 362.361 1.061 20 0 FDADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001599743601 991897198 /nfs/dbraw/zinc/89/71/98/991897198.db2.gz IWPIYMQIQYIFJI-NGOSVGARSA-N -2 3 358.441 1.231 20 0 FDADHL CC(C)N(C(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001591538735 992717454 /nfs/dbraw/zinc/71/74/54/992717454.db2.gz MDJZDFRPTWTIOJ-CZDRUDQFSA-N -2 3 374.437 1.925 20 0 FDADHL CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1=O ZINC001598563107 993110331 /nfs/dbraw/zinc/11/03/31/993110331.db2.gz PWPWDCISFXNBOV-HNNXBMFYSA-N -2 3 370.361 1.552 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)c2)c(OC)c1C(=O)[O-] ZINC001599616978 994028372 /nfs/dbraw/zinc/02/83/72/994028372.db2.gz WWTQJUKDAVFBRV-UHFFFAOYSA-N -2 3 366.395 1.637 20 0 FDADHL COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CCC2 ZINC001599631972 994231982 /nfs/dbraw/zinc/23/19/82/994231982.db2.gz PIWZJCAFWMMRAN-GFCCVEGCSA-N -2 3 352.368 1.737 20 0 FDADHL CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C)c1[O-] ZINC001598645767 994370223 /nfs/dbraw/zinc/37/02/23/994370223.db2.gz AHTJVPLUZKPRFV-UHFFFAOYSA-N -2 3 358.350 1.776 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccccc2C(=O)[O-])c(C)o1 ZINC001598673462 994798359 /nfs/dbraw/zinc/79/83/59/994798359.db2.gz OTTRKPMDYSJBAP-UHFFFAOYSA-N -2 3 366.395 1.167 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(C)o1 ZINC001598674492 994816797 /nfs/dbraw/zinc/81/67/97/994816797.db2.gz RPLJHLAAOWQEKY-UHFFFAOYSA-N -2 3 352.368 1.755 20 0 FDADHL C[C@@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001593320523 994855892 /nfs/dbraw/zinc/85/58/92/994855892.db2.gz XOEAKTBSGTXOAE-JECWYVHBSA-N -2 3 370.353 1.447 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H](O)C(F)(F)F ZINC001593325837 994870247 /nfs/dbraw/zinc/87/02/47/994870247.db2.gz DFWZBKJUJFXTLS-MLUIRONXSA-N -2 3 361.725 1.628 20 0 FDADHL COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001598730139 995549843 /nfs/dbraw/zinc/54/98/43/995549843.db2.gz UOUJUURWVZNQFO-MRVPVSSYSA-N -2 3 361.322 1.203 20 0 FDADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)[C@H]2C[C@H]21 ZINC000926604803 996233237 /nfs/dbraw/zinc/23/32/37/996233237.db2.gz RETZTLYDIOCVOS-CWKFCGSDSA-N -2 3 351.211 1.776 20 0 FDADHL COC(=O)c1[nH]cc(C(=O)[O-])c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001598910109 997353284 /nfs/dbraw/zinc/35/32/84/997353284.db2.gz KLNSRILYIMQFEE-UHFFFAOYSA-N -2 3 355.306 1.593 20 0 FDADHL COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001598919413 997535633 /nfs/dbraw/zinc/53/56/33/997535633.db2.gz ZLABVQRPWFKPLO-UHFFFAOYSA-N -2 3 355.306 1.593 20 0 FDADHL CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC2(CC1)OCCO2 ZINC001594030266 997592196 /nfs/dbraw/zinc/59/21/96/997592196.db2.gz NEJRZHKBJLEUQT-UHFFFAOYSA-N -2 3 359.400 1.580 20 0 FDADHL C[C@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCC[C@H]1C(=O)[O-] ZINC001594060849 997841753 /nfs/dbraw/zinc/84/17/53/997841753.db2.gz BBNJKKTXZDYABZ-AYVTZFPOSA-N -2 3 372.374 1.572 20 0 FDADHL COC(=O)c1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc(C(=O)[O-])c1 ZINC001598947206 998078819 /nfs/dbraw/zinc/07/88/19/998078819.db2.gz CWOPWSJVIOUIGK-DHDCSXOGSA-N -2 3 366.329 1.894 20 0 FDADHL COc1ccc(COCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001599576178 998446092 /nfs/dbraw/zinc/44/60/92/998446092.db2.gz WSDSWMYMACTWMI-UHFFFAOYSA-N -2 3 355.368 1.482 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC001598976733 998607616 /nfs/dbraw/zinc/60/76/16/998607616.db2.gz IJUVMWFOXWRULM-ZDUSSCGKSA-N -2 3 367.782 1.608 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001598984564 998688644 /nfs/dbraw/zinc/68/86/44/998688644.db2.gz PFVNKKWCCSQKEK-UHFFFAOYSA-N -3 3 357.384 1.566 20 0 FDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000777444653 999089507 /nfs/dbraw/zinc/08/95/07/999089507.db2.gz RGDNBXIIDOKLRZ-UHFFFAOYSA-N -2 3 366.399 1.219 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1ccc2cnn(CC(=O)[O-])c2c1)C1CC1 ZINC001599060660 999262969 /nfs/dbraw/zinc/26/29/69/999262969.db2.gz VRCKSVSVWPWTTM-CQSZACIVSA-N -2 3 353.400 1.288 20 0 FDADHL C[C@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)c1ncccc1[O-] ZINC000647778175 1009920095 /nfs/dbraw/zinc/92/00/95/1009920095.db2.gz UFCNROKTUZWEQS-GFCCVEGCSA-N -2 3 358.398 1.606 20 0 FDADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797158 1009925395 /nfs/dbraw/zinc/92/53/95/1009925395.db2.gz AOGDMIXUJJSCKF-UHFFFAOYSA-N -2 3 360.395 1.704 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])o1 ZINC000650418927 1011922521 /nfs/dbraw/zinc/92/25/21/1011922521.db2.gz WGLJJNMJAGXSBX-ZDUSSCGKSA-N -3 3 367.379 1.189 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000519575081 539493480 /nfs/dbraw/zinc/49/34/80/539493480.db2.gz DIBGLTVUIUMNFE-NSHDSACASA-N -2 3 364.210 1.831 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000530134924 539890024 /nfs/dbraw/zinc/89/00/24/539890024.db2.gz QZRKCMXUYFIPMU-SSDOTTSWSA-N -2 3 357.306 1.735 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC000530136319 539890788 /nfs/dbraw/zinc/89/07/88/539890788.db2.gz BRUDZNWJZZMLMW-UHFFFAOYSA-N -2 3 369.317 1.737 20 0 FDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530148622 539895506 /nfs/dbraw/zinc/89/55/06/539895506.db2.gz ISYVHBGJTGMQEP-ZETCQYMHSA-N -2 3 352.206 1.924 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000530339469 539945533 /nfs/dbraw/zinc/94/55/33/539945533.db2.gz XLDBHEXVZOSXFL-LLVKDONJSA-N -2 3 363.407 1.630 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])sc1Cl ZINC000530435313 539972351 /nfs/dbraw/zinc/97/23/51/539972351.db2.gz OWNHYYLYGZWEJY-BDAKNGLRSA-N -2 3 353.849 1.868 20 0 FDADHL Cc1c([C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])cnn1C ZINC000530542222 539997497 /nfs/dbraw/zinc/99/74/97/539997497.db2.gz LACIIYFBILZTDN-LBPRGKRZSA-N -2 3 361.782 1.625 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)cn1C ZINC000274935011 181200171 /nfs/dbraw/zinc/20/01/71/181200171.db2.gz FAMFTIOTJXVORE-UHFFFAOYSA-N -2 3 350.400 1.178 20 0 FDADHL 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CCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446617 598484738 /nfs/dbraw/zinc/48/47/38/598484738.db2.gz KPQXWDLBTXIKCK-UHFFFAOYSA-N -2 3 367.431 1.269 20 0 FDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446617 598484740 /nfs/dbraw/zinc/48/47/40/598484740.db2.gz KPQXWDLBTXIKCK-UHFFFAOYSA-N -2 3 367.431 1.269 20 0 FDADHL COc1cccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737142528 598492771 /nfs/dbraw/zinc/49/27/71/598492771.db2.gz XOQQTYQCNLBPKU-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735760551 598535862 /nfs/dbraw/zinc/53/58/62/598535862.db2.gz DCAHQGZWOAGAIB-LLVKDONJSA-N -2 3 351.432 1.744 20 0 FDADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735760551 598535864 /nfs/dbraw/zinc/53/58/64/598535864.db2.gz DCAHQGZWOAGAIB-LLVKDONJSA-N -2 3 351.432 1.744 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736938719 598627488 /nfs/dbraw/zinc/62/74/88/598627488.db2.gz AZPOAZFZGIUTLC-UHFFFAOYSA-N -2 3 362.371 1.091 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736938719 598627489 /nfs/dbraw/zinc/62/74/89/598627489.db2.gz AZPOAZFZGIUTLC-UHFFFAOYSA-N -2 3 362.371 1.091 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc2O1 ZINC000736295908 598637432 /nfs/dbraw/zinc/63/74/32/598637432.db2.gz BMLNKZUZICOKNC-VIFPVBQESA-N -2 3 358.383 1.386 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736346265 598801961 /nfs/dbraw/zinc/80/19/61/598801961.db2.gz XCFDOUFPNPVLDB-UHFFFAOYSA-N -2 3 367.431 1.128 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822259169 599307197 /nfs/dbraw/zinc/30/71/97/599307197.db2.gz OIVQWXHGWPCNJK-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1Cc2ccccc21 ZINC000823285226 599620340 /nfs/dbraw/zinc/62/03/40/599620340.db2.gz OKKGEYPZBLYRKV-HNNXBMFYSA-N -2 3 369.406 1.153 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1Cc2ccccc21 ZINC000823285226 599620341 /nfs/dbraw/zinc/62/03/41/599620341.db2.gz OKKGEYPZBLYRKV-HNNXBMFYSA-N -2 3 369.406 1.153 20 0 FDADHL O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)cc1 ZINC000738564575 599722783 /nfs/dbraw/zinc/72/27/83/599722783.db2.gz AQBLFZKZFMVYGL-CQSZACIVSA-N -2 3 356.309 1.655 20 0 FDADHL O=C([O-])c1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739323582 599722981 /nfs/dbraw/zinc/72/29/81/599722981.db2.gz ALQVNMPOKDOWJR-UHFFFAOYSA-N -2 3 368.301 1.064 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccoc3)CC2)o1 ZINC000740175249 599769425 /nfs/dbraw/zinc/76/94/25/599769425.db2.gz HTGKHBXTJJSAMA-UHFFFAOYSA-N -2 3 368.367 1.154 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)o1 ZINC000740175278 599777261 /nfs/dbraw/zinc/77/72/61/599777261.db2.gz KWFNWTBLPXXGCL-UHFFFAOYSA-N -2 3 358.397 1.138 20 0 FDADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000737576011 599779038 /nfs/dbraw/zinc/77/90/38/599779038.db2.gz DZYRZFGEUNOMNY-LBPRGKRZSA-N -2 3 367.379 1.521 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000738463274 599868979 /nfs/dbraw/zinc/86/89/79/599868979.db2.gz JWRPFEJBQWBAGS-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740189727 600004226 /nfs/dbraw/zinc/00/42/26/600004226.db2.gz RYVASGXISSFGJC-UHFFFAOYSA-N -2 3 372.358 1.020 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000736477975 600017191 /nfs/dbraw/zinc/01/71/91/600017191.db2.gz QJUVYAMULUKTQV-GFCCVEGCSA-N -2 3 372.418 1.449 20 0 FDADHL C[C@@](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)(C(=O)[O-])C1CC1 ZINC000736639768 600200667 /nfs/dbraw/zinc/20/06/67/600200667.db2.gz WAISQFPKTOTIOU-LBPRGKRZSA-N -2 3 366.848 1.049 20 0 FDADHL COC(=O)c1sc2[n-]c(CN(C)C[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737723695 600376701 /nfs/dbraw/zinc/37/67/01/600376701.db2.gz MOXXSJXCKCCSEO-SSDOTTSWSA-N -2 3 353.400 1.232 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826208392 607461339 /nfs/dbraw/zinc/46/13/39/607461339.db2.gz IIZBFISYSLTUJG-UHFFFAOYSA-N -2 3 355.767 1.053 20 0 FDADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000319907675 600674931 /nfs/dbraw/zinc/67/49/31/600674931.db2.gz YEGSYPAYRJLZLE-UHFFFAOYSA-N -2 3 357.775 1.527 20 0 FDADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccco1 ZINC000830585218 600991288 /nfs/dbraw/zinc/99/12/88/600991288.db2.gz SXQFPFQMEVQDHE-SNVBAGLBSA-N -2 3 374.365 1.837 20 0 FDADHL CCOC(=O)CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000321896983 600991505 /nfs/dbraw/zinc/99/15/05/600991505.db2.gz SYDZWJXVIXZACT-UHFFFAOYSA-N -2 3 351.327 1.285 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c1F ZINC000392224355 600993173 /nfs/dbraw/zinc/99/31/73/600993173.db2.gz DUGFAMFQOQZBNV-SNVBAGLBSA-N -2 3 369.345 1.945 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1[O-] ZINC000825890286 601127235 /nfs/dbraw/zinc/12/72/35/601127235.db2.gz HTHXISASFMREAN-UHFFFAOYSA-N -2 3 356.381 1.911 20 0 FDADHL COC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC000831139325 601224068 /nfs/dbraw/zinc/22/40/68/601224068.db2.gz VNHGNQJVQHQZPH-UHFFFAOYSA-N -2 3 359.400 1.831 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000833185369 601387293 /nfs/dbraw/zinc/38/72/93/601387293.db2.gz MGGMFMHXKIOTMA-ZIAGYGMSSA-N -2 3 360.410 1.568 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000831078841 601597315 /nfs/dbraw/zinc/59/73/15/601597315.db2.gz OXXPBPBEAFSKEG-OAHLLOKOSA-N -2 3 369.439 1.926 20 0 FDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833090389 601733588 /nfs/dbraw/zinc/73/35/88/601733588.db2.gz ZYGJEJPRDDQGJI-QMMMGPOBSA-N -2 3 352.734 1.069 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1)C(=O)[O-] ZINC000827554507 601799724 /nfs/dbraw/zinc/79/97/24/601799724.db2.gz WPKRDUZCIWISTQ-WDEREUQCSA-N -2 3 353.400 1.362 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826282299 607532318 /nfs/dbraw/zinc/53/23/18/607532318.db2.gz HOGXTLPZSLTFDD-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)cc12 ZINC000826304040 607536451 /nfs/dbraw/zinc/53/64/51/607536451.db2.gz SOAHMPVSTONBOQ-UHFFFAOYSA-N -2 3 371.382 1.821 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc12 ZINC000826304040 607536453 /nfs/dbraw/zinc/53/64/53/607536453.db2.gz SOAHMPVSTONBOQ-UHFFFAOYSA-N -2 3 371.382 1.821 20 0 FDADHL COC(=O)[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831105857 601991820 /nfs/dbraw/zinc/99/18/20/601991820.db2.gz AZSVQVHWNJYYEO-WDEREUQCSA-N -2 3 359.400 1.768 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740247755 601993208 /nfs/dbraw/zinc/99/32/08/601993208.db2.gz YIOQJQMNWPABKB-SCZZXKLOSA-N -2 3 364.855 1.439 20 0 FDADHL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000383235948 602140231 /nfs/dbraw/zinc/14/02/31/602140231.db2.gz AWUMOZFGZCLKCP-UHFFFAOYSA-N -2 3 370.221 1.834 20 0 FDADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000826031665 602322803 /nfs/dbraw/zinc/32/28/03/602322803.db2.gz QVTWHNGSLOYPGA-YVEFUNNKSA-N -2 3 356.378 1.700 20 0 FDADHL C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000827790237 602386807 /nfs/dbraw/zinc/38/68/07/602386807.db2.gz OYADXFROGAHVPP-AAEUAGOBSA-N -2 3 353.396 1.811 20 0 FDADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000740533139 602500922 /nfs/dbraw/zinc/50/09/22/602500922.db2.gz CTMNIECEILBXOQ-HNNXBMFYSA-N -2 3 366.381 1.362 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(CNC(=O)[O-])CCCC2)c1 ZINC000739783695 602564130 /nfs/dbraw/zinc/56/41/30/602564130.db2.gz ALBQSYFLYHUZGW-UHFFFAOYSA-N -2 3 374.390 1.471 20 0 FDADHL O=C([O-])N1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000740413032 602607758 /nfs/dbraw/zinc/60/77/58/602607758.db2.gz RSVSZPXDXIQBFF-TZMCWYRMSA-N -2 3 361.398 1.255 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@](C)(CNC(=O)[O-])C1CC1 ZINC000740246703 602708451 /nfs/dbraw/zinc/70/84/51/602708451.db2.gz PSBGFUROSMZOIQ-LBPRGKRZSA-N -2 3 350.828 1.097 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000740107585 602869989 /nfs/dbraw/zinc/86/99/89/602869989.db2.gz QXHGKQFUZNNXSX-TZMCWYRMSA-N -2 3 363.414 1.325 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNC(=O)[O-])oc1C ZINC000828761464 603491863 /nfs/dbraw/zinc/49/18/63/603491863.db2.gz VIUOEVINKGLFHT-ONGXEEELSA-N -2 3 360.388 1.089 20 0 FDADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449729 607632861 /nfs/dbraw/zinc/63/28/61/607632861.db2.gz HNQVMXREXZTAOP-UHFFFAOYSA-N -2 3 373.760 1.102 20 0 FDADHL O=C([N-]OCc1cccnc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449729 607632862 /nfs/dbraw/zinc/63/28/62/607632862.db2.gz 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ZINC000823759758 605403723 /nfs/dbraw/zinc/40/37/23/605403723.db2.gz KLQOBKKKOVCSCU-MNOVXSKESA-N -2 3 350.437 1.026 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H]1CCCCN1C(=O)[O-] ZINC000823759759 605403821 /nfs/dbraw/zinc/40/38/21/605403821.db2.gz KLQOBKKKOVCSCU-QWRGUYRKSA-N -2 3 350.437 1.026 20 0 FDADHL O=C([O-])N[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1CC1 ZINC000834141580 605996237 /nfs/dbraw/zinc/99/62/37/605996237.db2.gz WSUJPYRGYUXIAW-KBPBESRZSA-N -2 3 361.398 1.159 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000820201901 606162527 /nfs/dbraw/zinc/16/25/27/606162527.db2.gz BZEALNDDKHBRLI-UHFFFAOYSA-N -2 3 351.367 1.653 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c[nH]1 ZINC000820201901 606162529 /nfs/dbraw/zinc/16/25/29/606162529.db2.gz BZEALNDDKHBRLI-UHFFFAOYSA-N -2 3 351.367 1.653 20 0 FDADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821476960 606210274 /nfs/dbraw/zinc/21/02/74/606210274.db2.gz 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967779056 /nfs/dbraw/zinc/77/90/56/967779056.db2.gz JYJSVMPSOYWREK-UHFFFAOYSA-N -2 3 350.234 1.504 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2c(Cl)cnn2C)cc1C(=O)[O-] ZINC001192608769 969198706 /nfs/dbraw/zinc/19/87/06/969198706.db2.gz LRZKDAXIZLYZCH-UHFFFAOYSA-N -2 3 359.791 1.971 20 0 FDADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3coc(C=CC(=O)[O-])c3)C2)n1 ZINC001605091995 972739529 /nfs/dbraw/zinc/73/95/29/972739529.db2.gz ILUOKDMPZWDRFR-DLGQBQFBSA-N -2 3 358.354 1.190 20 0 FDADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000863408214 972878757 /nfs/dbraw/zinc/87/87/57/972878757.db2.gz NFZPKQUEVCKHBD-MRVPVSSYSA-N -2 3 368.180 1.299 20 0 FDADHL Cc1nn(Cc2cccnc2)c(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001198426092 973091715 /nfs/dbraw/zinc/09/17/15/973091715.db2.gz FWZZJAJZVYBQFF-UHFFFAOYSA-N -2 3 366.358 1.631 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(=O)[n-]1 ZINC001605400903 973386974 /nfs/dbraw/zinc/38/69/74/973386974.db2.gz MGQZJWSIEWPIQV-YNAXMUEKSA-N -2 3 363.414 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ZINC000848676706 976992442 /nfs/dbraw/zinc/99/24/42/976992442.db2.gz ZHULKPBCSWKYNE-SECBINFHSA-N -2 3 361.391 1.700 20 0 FDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592476704 978237607 /nfs/dbraw/zinc/23/76/07/978237607.db2.gz BQRSAPCOEBMTIM-SSDOTTSWSA-N -3 3 351.327 1.585 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000776470246 978749969 /nfs/dbraw/zinc/74/99/69/978749969.db2.gz RZHULFIIZRPZBS-SNVBAGLBSA-N -2 3 364.807 1.299 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1 ZINC000776541784 979026092 /nfs/dbraw/zinc/02/60/92/979026092.db2.gz KVUHDJJXYOZERL-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826165084 979217485 /nfs/dbraw/zinc/21/74/85/979217485.db2.gz FAGCMAAOWDWKSF-UHFFFAOYSA-N -2 3 373.394 1.132 20 0 FDADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826165084 979217489 /nfs/dbraw/zinc/21/74/89/979217489.db2.gz FAGCMAAOWDWKSF-UHFFFAOYSA-N -2 3 373.394 1.132 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])N1CCc2ccccc21 ZINC001592721974 979221946 /nfs/dbraw/zinc/22/19/46/979221946.db2.gz JGERNIRXDJMEKP-NSHDSACASA-N -2 3 350.396 1.707 20 0 FDADHL CCC(CC)([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001595101711 979411603 /nfs/dbraw/zinc/41/16/03/979411603.db2.gz ZASQXBICICQLFA-OAQYLSRUSA-N -2 3 354.494 1.895 20 0 FDADHL CC[C@@]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)(C(=O)OC)c1ccccc1 ZINC001595306558 980460248 /nfs/dbraw/zinc/46/02/48/980460248.db2.gz JEQPKFWOQJWYSX-GHJWDPDVSA-N -2 3 355.412 1.248 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)(F)F ZINC000903511388 980965071 /nfs/dbraw/zinc/96/50/71/980965071.db2.gz UJJDQOUSGBRHDU-SSDOTTSWSA-N -2 3 373.378 1.146 20 0 FDADHL CCCCC[C@H](C)NC(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666006 982095518 /nfs/dbraw/zinc/09/55/18/982095518.db2.gz BPAXLCCMGGXZIN-DWBBHFSCSA-N -2 3 354.447 1.569 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826322531 982151333 /nfs/dbraw/zinc/15/13/33/982151333.db2.gz QTZDIMPCMLOBBX-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001595688099 982182954 /nfs/dbraw/zinc/18/29/54/982182954.db2.gz WWLBHYZPXQPFHO-MRVPVSSYSA-N -2 3 368.253 1.494 20 0 FDADHL O=C([O-])[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000826417487 983258700 /nfs/dbraw/zinc/25/87/00/983258700.db2.gz SFNCVHZTSHEOKL-OAHLLOKOSA-N -2 3 371.328 1.327 20 0 FDADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000645961643 1014977897 /nfs/dbraw/zinc/97/78/97/1014977897.db2.gz IOYNSRLHNAZJKY-UHFFFAOYSA-N -2 3 351.380 1.997 20 0 FDADHL CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC001596478529 984207247 /nfs/dbraw/zinc/20/72/47/984207247.db2.gz VFFYQDIQOBOFEP-LBPRGKRZSA-N -2 3 364.370 1.102 20 0 FDADHL CCOC(=O)C1([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCC1 ZINC001596558896 984430137 /nfs/dbraw/zinc/43/01/37/984430137.db2.gz APOJUKCDOYGHKC-UHFFFAOYSA-N -2 3 355.412 1.680 20 0 FDADHL C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001599899117 984791519 /nfs/dbraw/zinc/79/15/19/984791519.db2.gz HHDGVNLNSBNUQB-STQMWFEESA-N -2 3 370.405 1.691 20 0 FDADHL C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC001599905348 984914139 /nfs/dbraw/zinc/91/41/39/984914139.db2.gz ZRYVIQQYKYSZLK-GXFFZTMASA-N -2 3 357.428 1.953 20 0 FDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCN1CCc2ccccc2C1 ZINC000871993599 987419070 /nfs/dbraw/zinc/41/90/70/987419070.db2.gz PKPSBSUIYZHKDF-UHFFFAOYSA-N -2 3 350.396 1.314 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC001599829084 988641895 /nfs/dbraw/zinc/64/18/95/988641895.db2.gz MPMZSXZADVTJDV-DAXSKMNVSA-N -2 3 371.465 1.836 20 0 FDADHL CC(C)(C)OC(=O)NC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001590215302 989583627 /nfs/dbraw/zinc/58/36/27/989583627.db2.gz CZZZRCHSFQWSIU-MGCOHNPYSA-N -2 3 374.415 1.559 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001591033031 991344790 /nfs/dbraw/zinc/34/47/90/991344790.db2.gz LCEFAMNVGWFGES-SNVBAGLBSA-N -3 3 353.755 1.565 20 0 FDADHL COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599714283 991426501 /nfs/dbraw/zinc/42/65/01/991426501.db2.gz CFRZZXGIVXLUSH-VIFPVBQESA-N -2 3 369.399 1.171 20 0 FDADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599714282 991426703 /nfs/dbraw/zinc/42/67/03/991426703.db2.gz CFRZZXGIVXLUSH-SECBINFHSA-N -2 3 369.399 1.171 20 0 FDADHL CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001591184607 991988731 /nfs/dbraw/zinc/98/87/31/991988731.db2.gz VMDOOBGOXXSCBM-QMMMGPOBSA-N -2 3 353.799 1.863 20 0 FDADHL CN(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(F)F ZINC001598493796 992337125 /nfs/dbraw/zinc/33/71/25/992337125.db2.gz AFKYNYNPZHRGGJ-UHFFFAOYSA-N -2 3 374.768 1.653 20 0 FDADHL CN1Cc2ccccc2[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598630363 994164892 /nfs/dbraw/zinc/16/48/92/994164892.db2.gz FXMFTBWCTSRPQZ-NSHDSACASA-N -2 3 353.425 1.306 20 0 FDADHL COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2 ZINC001599627467 994170102 /nfs/dbraw/zinc/17/01/02/994170102.db2.gz JRRQZCUMANQWSE-ZDUSSCGKSA-N -2 3 351.380 1.822 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1nccc(N)n1 ZINC001593326355 994876603 /nfs/dbraw/zinc/87/66/03/994876603.db2.gz KLGBAFUOIOCNPB-ZCFIWIBFSA-N -2 3 374.781 1.589 20 0 FDADHL COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)C2)c1 ZINC001599679606 994956872 /nfs/dbraw/zinc/95/68/72/994956872.db2.gz XOAHTJYQYRGZJW-LBPRGKRZSA-N -2 3 366.395 1.544 20 0 FDADHL COC(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCC1 ZINC001598842783 996539679 /nfs/dbraw/zinc/53/96/79/996539679.db2.gz UMNRITGZJLOTHU-UHFFFAOYSA-N -2 3 359.400 1.770 20 0 FDADHL COc1cc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc(OC)c1[O-] ZINC001599386397 996953538 /nfs/dbraw/zinc/95/35/38/996953538.db2.gz QWVMFVPERJNURE-LLVKDONJSA-N -2 3 367.354 1.032 20 0 FDADHL CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593952805 997024989 /nfs/dbraw/zinc/02/49/89/997024989.db2.gz ISSHIIKGVIBHML-SNVBAGLBSA-N -2 3 365.766 1.407 20 0 FDADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001599327955 997697606 /nfs/dbraw/zinc/69/76/06/997697606.db2.gz GEQGQQAETPDMKB-LURJTMIESA-N -2 3 367.289 1.140 20 0 FDADHL COc1cc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc(OC)c1[O-] ZINC001599354004 998146797 /nfs/dbraw/zinc/14/67/97/998146797.db2.gz UMJWYTGVIHRWTO-OAHLLOKOSA-N -2 3 361.350 1.671 20 0 FDADHL COC(=O)c1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)[n-]1 ZINC001598958696 998292091 /nfs/dbraw/zinc/29/20/91/998292091.db2.gz OFLOYNDOLABUNJ-UHFFFAOYSA-N -2 3 360.322 1.913 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(=O)[O-] ZINC001599154954 998356173 /nfs/dbraw/zinc/35/61/73/998356173.db2.gz BTSWNYFXPDHYGU-NSHDSACASA-N -2 3 365.820 1.113 20 0 FDADHL COc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599579872 998511023 /nfs/dbraw/zinc/51/10/23/998511023.db2.gz ZPNCFZIPXISHDI-UHFFFAOYSA-N -2 3 359.791 1.291 20 0 FDADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC001599021892 998987178 /nfs/dbraw/zinc/98/71/78/998987178.db2.gz GZUSRXHLFRENFZ-ZCFIWIBFSA-N -2 3 357.356 1.230 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CN1C1CC1 ZINC001594264045 999019985 /nfs/dbraw/zinc/01/99/85/999019985.db2.gz KDNLKVQIOQNNGS-SCZZXKLOSA-N -2 3 360.382 1.567 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc2cnn(CC(=O)[O-])c2c1)C(C)C ZINC001599056138 999231218 /nfs/dbraw/zinc/23/12/18/999231218.db2.gz AYTIDGYNGZVHED-AWEZNQCLSA-N -2 3 355.416 1.534 20 0 FDADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC001599057460 999240419 /nfs/dbraw/zinc/24/04/19/999240419.db2.gz FUILFGCPZMIZFX-CYBMUJFWSA-N -2 3 350.396 1.779 20 0 FDADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cccc([O-])c3Cl)CC2)C1 ZINC000650792644 1012758464 /nfs/dbraw/zinc/75/84/64/1012758464.db2.gz KMMLDNGPCNGEOJ-LBPRGKRZSA-N -2 3 352.818 1.943 20 0 FDADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000235554115 178275728 /nfs/dbraw/zinc/27/57/28/178275728.db2.gz WXMOQESVUFUYCX-CDUCUWFYSA-N -2 3 372.624 1.215 20 0 FDADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236498025 178276122 /nfs/dbraw/zinc/27/61/22/178276122.db2.gz UAKVVTGCQGSCNF-SECBINFHSA-N -2 3 372.624 1.216 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])c(CC)n1 ZINC000516930316 539331437 /nfs/dbraw/zinc/33/14/37/539331437.db2.gz KTRYOSVHRAVMFA-UHFFFAOYSA-N -2 3 365.411 1.614 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cn1C ZINC000517014292 539339478 /nfs/dbraw/zinc/33/94/78/539339478.db2.gz ABBYQNRMJHSUSD-QMMMGPOBSA-N -2 3 357.354 1.475 20 0 FDADHL CCOC[C@H](C)CS(=O)(=O)[N-]c1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000518986232 539461959 /nfs/dbraw/zinc/46/19/59/539461959.db2.gz HOPSJHNLBHGICU-LBPRGKRZSA-N -2 3 367.427 1.985 20 0 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ZINC000569675345 549004667 /nfs/dbraw/zinc/00/46/67/549004667.db2.gz LCRODWGPHJNRQV-JTQLQIEISA-N -2 3 359.415 1.761 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)cn21 ZINC000569675345 549004671 /nfs/dbraw/zinc/00/46/71/549004671.db2.gz LCRODWGPHJNRQV-JTQLQIEISA-N -2 3 359.415 1.761 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000569897744 549085183 /nfs/dbraw/zinc/08/51/83/549085183.db2.gz PLWKBAUSGCRFAH-MUWHJKNJSA-N -2 3 361.363 1.659 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000570208010 549196983 /nfs/dbraw/zinc/19/69/83/549196983.db2.gz QXKRCTWSSKYQRN-CZUORRHYSA-N -2 3 372.443 1.417 20 0 FDADHL C[C@H](C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000570215253 549199792 /nfs/dbraw/zinc/19/97/92/549199792.db2.gz FXYHUBUGFWPJTM-LURJTMIESA-N -2 3 354.306 1.736 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000570318501 549237148 /nfs/dbraw/zinc/23/71/48/549237148.db2.gz KVQRRAVFSNUKPE-GFCCVEGCSA-N -2 3 359.791 1.186 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c1 ZINC000570518734 549308803 /nfs/dbraw/zinc/30/88/03/549308803.db2.gz KDASBXFWEAIRBI-LBPRGKRZSA-N -2 3 367.402 1.922 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])o1 ZINC000571169679 549551856 /nfs/dbraw/zinc/55/18/56/549551856.db2.gz NKPIYFLMPSQKAI-NSHDSACASA-N -2 3 353.352 1.291 20 0 FDADHL COCCn1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CCC2 ZINC000571996491 549819817 /nfs/dbraw/zinc/81/98/17/549819817.db2.gz CXBFVPFJLKMMPL-NSHDSACASA-N -2 3 369.399 1.177 20 0 FDADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(=O)[O-] ZINC000572351977 549895156 /nfs/dbraw/zinc/89/51/56/549895156.db2.gz MAGUKFWINIOIDX-VIFPVBQESA-N -2 3 365.835 1.895 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000573005681 550044437 /nfs/dbraw/zinc/04/44/37/550044437.db2.gz YPRBGFHEUPJCLM-UHFFFAOYSA-N -2 3 351.384 1.095 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000573788023 550211014 /nfs/dbraw/zinc/21/10/14/550211014.db2.gz XIFVPJAYROQMJG-NSHDSACASA-N -2 3 359.787 1.916 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000573973540 550240254 /nfs/dbraw/zinc/24/02/54/550240254.db2.gz LMCZSSKPYRBBDC-KOLCDFICSA-N -2 3 360.457 1.032 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])c(F)c1 ZINC000575434487 550463171 /nfs/dbraw/zinc/46/31/71/550463171.db2.gz BKONVCDRSKMYRY-AWEZNQCLSA-N -2 3 353.371 1.945 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](Cn2nc(C)cc2C)C(=O)[O-])c(F)c1 ZINC000575651469 550468583 /nfs/dbraw/zinc/46/85/83/550468583.db2.gz BSTUQRAYMLOZLK-CYBMUJFWSA-N -2 3 371.390 1.079 20 0 FDADHL COC(C)(C)CS(=O)(=O)[N-][C@H](CC1CCCCC1)[C@H](O)C(=O)[O-] ZINC000576520706 550558411 /nfs/dbraw/zinc/55/84/11/550558411.db2.gz JFMCMYCSUNDAJD-OLZOCXBDSA-N -2 3 351.465 1.115 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000576713418 550578283 /nfs/dbraw/zinc/57/82/83/550578283.db2.gz FNJOIZGACHUXDR-NOZJJQNGSA-N -2 3 359.375 1.392 20 0 FDADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000576924357 550600377 /nfs/dbraw/zinc/60/03/77/550600377.db2.gz RFIPCQFXBIXHMI-LDYMZIIASA-N -2 3 374.390 1.818 20 0 FDADHL Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000579105507 550835963 /nfs/dbraw/zinc/83/59/63/550835963.db2.gz CJTKKHGCSWDLRJ-JTQLQIEISA-N -2 3 354.409 1.870 20 0 FDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000579680766 550898483 /nfs/dbraw/zinc/89/84/83/550898483.db2.gz WFADMDURYMEWAC-RQJHMYQMSA-N -2 3 354.197 1.976 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]CCc1ccc(C(=O)[O-])cc1OC ZINC000580188251 550952460 /nfs/dbraw/zinc/95/24/60/550952460.db2.gz QCAOQAZNSXVMQF-UHFFFAOYSA-N -2 3 371.436 1.985 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000580308698 550964966 /nfs/dbraw/zinc/96/49/66/550964966.db2.gz RQJXZDJHVNQNPN-AXTRIDKLSA-N -2 3 373.452 1.691 20 0 FDADHL COC1(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)CCCC1 ZINC000580885436 551028840 /nfs/dbraw/zinc/02/88/40/551028840.db2.gz JZEMDXDGZJFQAG-ZDUSSCGKSA-N -2 3 363.382 1.969 20 0 FDADHL COCCOc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000581009696 551042642 /nfs/dbraw/zinc/04/26/42/551042642.db2.gz SBOOCNQMADQAGS-UHFFFAOYSA-N -2 3 372.424 1.345 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000581294793 551072444 /nfs/dbraw/zinc/07/24/44/551072444.db2.gz FGASZHGGTYAOHF-PSASIEDQSA-N -2 3 352.334 1.880 20 0 FDADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])c(OC)c1 ZINC000581606158 551111114 /nfs/dbraw/zinc/11/11/14/551111114.db2.gz UTEJSNYYJXFTLK-CYBMUJFWSA-N -2 3 372.424 1.573 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000581723934 551127483 /nfs/dbraw/zinc/12/74/83/551127483.db2.gz GTFIIQMPRMGSRV-BDAKNGLRSA-N -2 3 353.318 1.959 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000583117497 551305676 /nfs/dbraw/zinc/30/56/76/551305676.db2.gz GTIHUKGAAOYGLZ-LLVKDONJSA-N -2 3 356.425 1.578 20 0 FDADHL Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000583379103 551342743 /nfs/dbraw/zinc/34/27/43/551342743.db2.gz GXXZDWLEEABZRT-ZETCQYMHSA-N -2 3 358.445 1.101 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])cn1C ZINC000584276199 551473168 /nfs/dbraw/zinc/47/31/68/551473168.db2.gz HSWXSPYJXHMZBM-LBPRGKRZSA-N -2 3 366.443 1.160 20 0 FDADHL COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000584410915 551493026 /nfs/dbraw/zinc/49/30/26/551493026.db2.gz YJKCSQNTITVPJX-TVQRCGJNSA-N -2 3 369.399 1.171 20 0 FDADHL O=C(CNC(=O)c1ccc([O-])cc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000589689048 551742392 /nfs/dbraw/zinc/74/23/92/551742392.db2.gz KIHORUKNPZRFLI-UHFFFAOYSA-N -2 3 354.391 1.701 20 0 FDADHL O=C(Nc1nnn[n-]1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000590501053 551788040 /nfs/dbraw/zinc/78/80/40/551788040.db2.gz RAZSHWCYSATITE-UHFFFAOYSA-N -2 3 362.346 1.392 20 0 FDADHL O=C(Nc1nn[n-]n1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000590501053 551788041 /nfs/dbraw/zinc/78/80/41/551788041.db2.gz RAZSHWCYSATITE-UHFFFAOYSA-N -2 3 362.346 1.392 20 0 FDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591424028 551869504 /nfs/dbraw/zinc/86/95/04/551869504.db2.gz LPSHKVCUSUDWIY-UHFFFAOYSA-N -2 3 368.374 1.553 20 0 FDADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1OC ZINC000593943325 552231205 /nfs/dbraw/zinc/23/12/05/552231205.db2.gz MAULOQAPVKUFPL-ZETCQYMHSA-N -2 3 365.791 1.134 20 0 FDADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000593944774 552231531 /nfs/dbraw/zinc/23/15/31/552231531.db2.gz LPXUTMZDJIPQCB-IUCAKERBSA-N -2 3 363.354 1.147 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000594573642 552335506 /nfs/dbraw/zinc/33/55/06/552335506.db2.gz PZOMIRFGNZANNG-NSHDSACASA-N -2 3 351.327 1.094 20 0 FDADHL O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1c([O-])cccc1F ZINC000608366306 554262157 /nfs/dbraw/zinc/26/21/57/554262157.db2.gz QZDXSAFFRFPOBR-UHFFFAOYSA-N -2 3 356.350 1.978 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922706 555137963 /nfs/dbraw/zinc/13/79/63/555137963.db2.gz RYYDVESIOUBBAB-UHFFFAOYSA-N -2 3 366.443 1.224 20 0 FDADHL Cc1cnc(C(=O)N[C@]2(C)CCN(C(=O)c3ncc(C)cc3[O-])C2)c([O-])c1 ZINC000614985640 555145082 /nfs/dbraw/zinc/14/50/82/555145082.db2.gz UYTRTIHMEISKND-LJQANCHMSA-N -2 3 370.409 1.539 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccnn2C(C)(C)C)ccc1[O-] ZINC000615565989 555215469 /nfs/dbraw/zinc/21/54/69/555215469.db2.gz VBJKSHMURDHPDC-UHFFFAOYSA-N -2 3 353.400 1.931 20 0 FDADHL CCOC(=O)c1nc(CNC(=O)c2cc(Br)ccc2[O-])n[n-]1 ZINC000615920263 555254211 /nfs/dbraw/zinc/25/42/11/555254211.db2.gz UCVVMHLWDWKJHW-UHFFFAOYSA-N -2 3 369.175 1.380 20 0 FDADHL CCOC(=O)c1nnc(CNC(=O)c2cc(Br)ccc2[O-])[n-]1 ZINC000615920263 555254212 /nfs/dbraw/zinc/25/42/12/555254212.db2.gz UCVVMHLWDWKJHW-UHFFFAOYSA-N -2 3 369.175 1.380 20 0 FDADHL CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Br)ccc2[O-])n1 ZINC000615920263 555254213 /nfs/dbraw/zinc/25/42/13/555254213.db2.gz UCVVMHLWDWKJHW-UHFFFAOYSA-N -2 3 369.175 1.380 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(CN=c2[n-]c(C(=O)OC)c(C)s2)s1 ZINC000617942308 555547298 /nfs/dbraw/zinc/54/72/98/555547298.db2.gz NUULITQODJOJHE-UHFFFAOYSA-N -2 3 361.470 1.820 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)[n-]1 ZINC000619448113 555778864 /nfs/dbraw/zinc/77/88/64/555778864.db2.gz CLXCKKCDAVUMIG-UHFFFAOYSA-N -2 3 366.399 1.600 20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c[n-]1 ZINC000619448113 555778865 /nfs/dbraw/zinc/77/88/65/555778865.db2.gz CLXCKKCDAVUMIG-UHFFFAOYSA-N -2 3 366.399 1.600 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])c[nH]1 ZINC000619855219 555844595 /nfs/dbraw/zinc/84/45/95/555844595.db2.gz NQRCICUBKHCKRM-GXTWGEPZSA-N -2 3 373.475 1.596 20 0 FDADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cn1 ZINC000629343667 557770365 /nfs/dbraw/zinc/77/03/65/557770365.db2.gz NOSXNZOKCMCMGD-UHFFFAOYSA-N -2 3 355.338 1.369 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@@H]2CCC[C@H]21 ZINC000630277858 557894496 /nfs/dbraw/zinc/89/44/96/557894496.db2.gz GIGZLXWDDCGIRW-QJPTWQEYSA-N -2 3 372.468 1.128 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000630284880 557895035 /nfs/dbraw/zinc/89/50/35/557895035.db2.gz YOEQPKXOTNWJMB-SOUVJXGZSA-N -2 3 366.439 1.774 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630424223 557908191 /nfs/dbraw/zinc/90/81/91/557908191.db2.gz VOCOYCUMUGGYSN-GXSJLCMTSA-N -2 3 353.318 1.616 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)[C@@H]1CCCO1 ZINC000630423540 557908317 /nfs/dbraw/zinc/90/83/17/557908317.db2.gz RBOHAWSKTAGGGJ-GXSJLCMTSA-N -2 3 371.308 1.755 20 0 FDADHL CC(C)[C@@H](C[N-]S(=O)(=O)Cc1ncsc1Br)C(=O)[O-] ZINC000630445770 557910178 /nfs/dbraw/zinc/91/01/78/557910178.db2.gz KXRSAWNXUNJIGC-SSDOTTSWSA-N -2 3 371.278 1.682 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737183570 598909550 /nfs/dbraw/zinc/90/95/50/598909550.db2.gz ZAXXEAYCTJHUMV-UHFFFAOYSA-N -2 3 355.445 1.205 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737183570 598909552 /nfs/dbraw/zinc/90/95/52/598909552.db2.gz ZAXXEAYCTJHUMV-UHFFFAOYSA-N -2 3 355.445 1.205 20 0 FDADHL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1C ZINC000821567987 607254850 /nfs/dbraw/zinc/25/48/50/607254850.db2.gz CKWVERNHVMTBPC-UHFFFAOYSA-N -2 3 361.431 1.809 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)nc1 ZINC000821837665 599233763 /nfs/dbraw/zinc/23/37/63/599233763.db2.gz FONZQMIRKNUCOK-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)nc1 ZINC000821837665 599233765 /nfs/dbraw/zinc/23/37/65/599233765.db2.gz FONZQMIRKNUCOK-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)ccc1F ZINC000769529703 597021066 /nfs/dbraw/zinc/02/10/66/597021066.db2.gz MRDPKJDFYPURIB-ZDUSSCGKSA-N -2 3 360.407 1.351 20 0 FDADHL Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822599553 599233847 /nfs/dbraw/zinc/23/38/47/599233847.db2.gz FHWIPZHNZWQKMZ-UHFFFAOYSA-N -2 3 373.373 1.693 20 0 FDADHL Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822599553 599233849 /nfs/dbraw/zinc/23/38/49/599233849.db2.gz FHWIPZHNZWQKMZ-UHFFFAOYSA-N -2 3 373.373 1.693 20 0 FDADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000821127082 599303112 /nfs/dbraw/zinc/30/31/12/599303112.db2.gz AVVQFZQSWBFMJX-UHFFFAOYSA-N -2 3 362.419 1.223 20 0 FDADHL C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820115445 597658675 /nfs/dbraw/zinc/65/86/75/597658675.db2.gz WHYZCRFDQNBZFP-LRDDRELGSA-N -2 3 356.378 1.843 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000738138636 598364119 /nfs/dbraw/zinc/36/41/19/598364119.db2.gz HGOQLYZZBPUCSJ-UHFFFAOYSA-N -2 3 365.321 1.264 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000738138636 598364121 /nfs/dbraw/zinc/36/41/21/598364121.db2.gz HGOQLYZZBPUCSJ-UHFFFAOYSA-N -2 3 365.321 1.264 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000735449605 598414243 /nfs/dbraw/zinc/41/42/43/598414243.db2.gz RNHPFLZWDHLKFT-SOFGYWHQSA-N -2 3 367.818 1.681 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000735449605 598414245 /nfs/dbraw/zinc/41/42/45/598414245.db2.gz RNHPFLZWDHLKFT-SOFGYWHQSA-N -2 3 367.818 1.681 20 0 FDADHL COc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737114528 598491319 /nfs/dbraw/zinc/49/13/19/598491319.db2.gz GSVJWISIOQEGAP-AREMUKBSSA-N -2 3 371.422 1.299 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737370840 598491429 /nfs/dbraw/zinc/49/14/29/598491429.db2.gz WBNMFGZACZIPOP-SANMLTNESA-N -2 3 369.450 1.908 20 0 FDADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735484822 598499569 /nfs/dbraw/zinc/49/95/69/598499569.db2.gz OUVCVLUXJLJXPY-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735761861 598535410 /nfs/dbraw/zinc/53/54/10/598535410.db2.gz QKJDVMVXSOHOGH-GFCCVEGCSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735761861 598535412 /nfs/dbraw/zinc/53/54/12/598535412.db2.gz QKJDVMVXSOHOGH-GFCCVEGCSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735762086 598535671 /nfs/dbraw/zinc/53/56/71/598535671.db2.gz UYJYDPRIBMOGIE-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735762086 598535673 /nfs/dbraw/zinc/53/56/73/598535673.db2.gz UYJYDPRIBMOGIE-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338962 599304871 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FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000736164943 599717425 /nfs/dbraw/zinc/71/74/25/599717425.db2.gz GKKMCKFDIOUARO-ZDUSSCGKSA-N -2 3 372.377 1.730 20 0 FDADHL CN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000485462832 599853003 /nfs/dbraw/zinc/85/30/03/599853003.db2.gz FPJIAFUEQPYZDK-UHFFFAOYSA-N -2 3 366.370 1.783 20 0 FDADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000737950908 600158646 /nfs/dbraw/zinc/15/86/46/600158646.db2.gz BWVRHBXWXVIYPC-INIZCTEOSA-N -2 3 372.377 1.463 20 0 FDADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000371652316 600210858 /nfs/dbraw/zinc/21/08/58/600210858.db2.gz BADDNCMGRAOEQW-UHFFFAOYSA-N -2 3 364.354 1.611 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)ccc1O ZINC000740089935 600384593 /nfs/dbraw/zinc/38/45/93/600384593.db2.gz OGXJOOOENZKRMA-UHFFFAOYSA-N -2 3 360.351 1.676 20 0 FDADHL Cc1nc(C)c(CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c(=O)[n-]1 ZINC000738843858 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3 357.359 1.454 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1Cl ZINC000669668623 601595959 /nfs/dbraw/zinc/59/59/59/601595959.db2.gz AOSHCVFPLZNDTA-GFCCVEGCSA-N -2 3 354.211 1.824 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000831078616 601596523 /nfs/dbraw/zinc/59/65/23/601596523.db2.gz MXZZWCCZAYPMLV-ZDUSSCGKSA-N -2 3 359.400 1.686 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000832993137 601711953 /nfs/dbraw/zinc/71/19/53/601711953.db2.gz LUQOLSHOLYAPBU-SFHVURJKSA-N -2 3 374.372 1.098 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827563464 601791640 /nfs/dbraw/zinc/79/16/40/601791640.db2.gz NIAGGVWLQVIRIP-QMMMGPOBSA-N -2 3 359.791 1.530 20 0 FDADHL CC[C@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739534384 601880620 /nfs/dbraw/zinc/88/06/20/601880620.db2.gz JVGLCEUBBMOJGN-JTQLQIEISA-N -2 3 359.404 1.442 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)[O-])C2)s1 ZINC000739793064 601988301 /nfs/dbraw/zinc/98/83/01/601988301.db2.gz SANKINROGWYUOG-SECBINFHSA-N -2 3 362.429 1.203 20 0 FDADHL C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738987451 602005468 /nfs/dbraw/zinc/00/54/68/602005468.db2.gz KMQSOGNLJRGHIA-VHSXEESVSA-N -2 3 360.370 1.470 20 0 FDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCN(C(=O)[O-])C1CC1 ZINC000740275388 602028063 /nfs/dbraw/zinc/02/80/63/602028063.db2.gz BOMGNQLAWNMDPT-UHFFFAOYSA-N -2 3 359.386 1.424 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1F ZINC000767215339 602028738 /nfs/dbraw/zinc/02/87/38/602028738.db2.gz WTSFPCGNSVOBAS-INIZCTEOSA-N -2 3 372.418 1.449 20 0 FDADHL O=C([O-])N1CCc2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc21 ZINC000740374442 602065363 /nfs/dbraw/zinc/06/53/63/602065363.db2.gz QTEQUFKJDQHUSK-UHFFFAOYSA-N -2 3 355.350 1.801 20 0 FDADHL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000833343376 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C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000739206332 603219010 /nfs/dbraw/zinc/21/90/10/603219010.db2.gz IETAIOUFKHJQOU-JOYOIKCWSA-N -2 3 360.370 1.569 20 0 FDADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H]([C@@H](C)NC(=O)[O-])C3)nc2)n1 ZINC000827557672 604452045 /nfs/dbraw/zinc/45/20/45/604452045.db2.gz VLWFDQVSPPXHBS-RISCZKNCSA-N -2 3 373.413 1.668 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1C(=O)[O-] ZINC000486544895 604633889 /nfs/dbraw/zinc/63/38/89/604633889.db2.gz BOMOOPJFTYAZSP-UHFFFAOYSA-N -2 3 374.378 1.775 20 0 FDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000833697645 604708502 /nfs/dbraw/zinc/70/85/02/604708502.db2.gz HSTYDWASNMCDQU-IUODEOHRSA-N -2 3 350.396 1.702 20 0 FDADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000833416694 604877101 /nfs/dbraw/zinc/87/71/01/604877101.db2.gz DVAJJYSPXJFIAP-SNVBAGLBSA-N -2 3 359.382 1.925 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cc1OC 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COOUEHQTTIOVPB-LLVKDONJSA-N -2 3 357.819 1.876 20 0 FDADHL CCOC(=O)c1[nH]c(=O)n(-c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1[O-] ZINC000349285822 901436749 /nfs/dbraw/zinc/43/67/49/901436749.db2.gz ZHSHIUHQVVGEHL-CQSZACIVSA-N -2 3 356.338 1.146 20 0 FDADHL Cc1nn2c([n-]nc2SCc2cc(=O)oc3c(C)c([O-])ccc23)nc1=O ZINC000730086388 916097014 /nfs/dbraw/zinc/09/70/14/916097014.db2.gz RDLIRZVOCIVNPZ-UHFFFAOYSA-N -2 3 371.378 1.534 20 0 FDADHL Cc1cc(C(=O)NCCn2ccnc2C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000746255689 927716967 /nfs/dbraw/zinc/71/69/67/927716967.db2.gz OLIHERMFNGBJRU-UHFFFAOYSA-N -2 3 356.386 1.494 20 0 FDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001261646213 939826490 /nfs/dbraw/zinc/82/64/90/939826490.db2.gz ADVUAXBLVNYTSS-AWEZNQCLSA-N -2 3 372.418 1.704 20 0 FDADHL CCCCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247709 970790499 /nfs/dbraw/zinc/79/04/99/970790499.db2.gz SLMKYIROMYLSOK-QMMMGPOBSA-N -2 3 365.354 1.673 20 0 FDADHL COc1cccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195253733 970794540 /nfs/dbraw/zinc/79/45/40/970794540.db2.gz BOHHLMHIIVGHHJ-UHFFFAOYSA-N -2 3 358.322 1.545 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2CO)c(F)cc1F ZINC001195255177 970797012 /nfs/dbraw/zinc/79/70/12/970797012.db2.gz ULCOUORAJLQHGO-UHFFFAOYSA-N -2 3 357.334 1.634 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccnn2CCF)c(F)cc1F ZINC001195264150 970802573 /nfs/dbraw/zinc/80/25/73/970802573.db2.gz SDKZBVSSVAMPDO-UHFFFAOYSA-N -2 3 363.317 1.308 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000818431728 943238617 /nfs/dbraw/zinc/23/86/17/943238617.db2.gz XQIWWMOBSURIKW-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC001611463961 971066505 /nfs/dbraw/zinc/06/65/05/971066505.db2.gz YPCURMQFZQAIJA-UHFFFAOYSA-N -2 3 373.394 1.480 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1F ZINC000821248928 944396461 /nfs/dbraw/zinc/39/64/61/944396461.db2.gz MQDKGIHHJKLPNO-DGCLKSJQSA-N -2 3 365.398 1.802 20 0 FDADHL CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824237561 946631525 /nfs/dbraw/zinc/63/15/25/946631525.db2.gz TYEUEBADDQHVEN-AAEUAGOBSA-N -2 3 361.402 1.497 20 0 FDADHL CCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000844084401 947703906 /nfs/dbraw/zinc/70/39/06/947703906.db2.gz OIEBEIHBBDJYMI-UHFFFAOYSA-N -2 3 357.251 1.247 20 0 FDADHL COC1(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])CCC1 ZINC000844824247 948420579 /nfs/dbraw/zinc/42/05/79/948420579.db2.gz CXOJNTGBZYMPKH-JTQLQIEISA-N -2 3 366.798 1.565 20 0 FDADHL C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)c1nn(C)cc1[O-] ZINC001575250370 949115530 /nfs/dbraw/zinc/11/55/30/949115530.db2.gz FSSOZHQXJUEFEL-QMMMGPOBSA-N -2 3 363.328 1.275 20 0 FDADHL CC(C)(C)[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573822752 949802313 /nfs/dbraw/zinc/80/23/13/949802313.db2.gz MDJPIXLMRKFBJI-CYBMUJFWSA-N -2 3 371.401 1.379 20 0 FDADHL CC(C)(C)[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573822752 949802330 /nfs/dbraw/zinc/80/23/30/949802330.db2.gz MDJPIXLMRKFBJI-CYBMUJFWSA-N -2 3 371.401 1.379 20 0 FDADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574765581 950794233 /nfs/dbraw/zinc/79/42/33/950794233.db2.gz IGDPFKJCFJDVKK-VIFPVBQESA-N -2 3 372.364 1.074 20 0 FDADHL C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574765581 950794248 /nfs/dbraw/zinc/79/42/48/950794248.db2.gz IGDPFKJCFJDVKK-VIFPVBQESA-N -2 3 372.364 1.074 20 0 FDADHL CC(C)(C)CC[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)C(=O)[O-] ZINC001602861181 971718730 /nfs/dbraw/zinc/71/87/30/971718730.db2.gz LVTUSJVHBXOJGU-SECBINFHSA-N -2 3 352.395 1.098 20 0 FDADHL CCc1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c([O-])c1 ZINC001593635220 953606201 /nfs/dbraw/zinc/60/62/01/953606201.db2.gz IAQZHBSSIROQLF-CYBMUJFWSA-N -2 3 360.410 1.492 20 0 FDADHL O=C([O-])c1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)[nH]n1 ZINC001594801789 953743494 /nfs/dbraw/zinc/74/34/94/953743494.db2.gz IXQLTJJZHYCOKB-UHFFFAOYSA-N -2 3 355.310 1.440 20 0 FDADHL O=C([O-])c1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)[nH]n1 ZINC001594801789 953743500 /nfs/dbraw/zinc/74/35/00/953743500.db2.gz IXQLTJJZHYCOKB-UHFFFAOYSA-N -2 3 355.310 1.440 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001594510437 955383468 /nfs/dbraw/zinc/38/34/68/955383468.db2.gz WUFNCHFTIBUBEX-SFHVURJKSA-N -2 3 373.365 1.878 20 0 FDADHL COc1cnc(Br)cc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001197168346 972130882 /nfs/dbraw/zinc/13/08/82/972130882.db2.gz RZWHUKUQDRSPHS-UHFFFAOYSA-N -2 3 367.136 1.540 20 0 FDADHL C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589094655 955975438 /nfs/dbraw/zinc/97/54/38/955975438.db2.gz YMIBYUQKQJISGV-SIPGATMPSA-N -2 3 373.365 1.871 20 0 FDADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC001605742346 972382326 /nfs/dbraw/zinc/38/23/26/972382326.db2.gz AHBIMZQXJYLKRZ-JSGCOSHPSA-N -2 3 350.338 1.305 20 0 FDADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC001605742346 972382330 /nfs/dbraw/zinc/38/23/30/972382330.db2.gz AHBIMZQXJYLKRZ-JSGCOSHPSA-N -2 3 350.338 1.305 20 0 FDADHL C[C@@H](C(=O)[O-])C(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001588576784 959237532 /nfs/dbraw/zinc/23/75/32/959237532.db2.gz YJHJGZIPFVGFHP-SSDOTTSWSA-N -2 3 357.775 1.555 20 0 FDADHL C[C@@H](C(=O)[O-])C(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001588576784 959237549 /nfs/dbraw/zinc/23/75/49/959237549.db2.gz YJHJGZIPFVGFHP-SSDOTTSWSA-N -2 3 357.775 1.555 20 0 FDADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC000392561325 972498466 /nfs/dbraw/zinc/49/84/66/972498466.db2.gz LQJOAEGILUDZCN-UHFFFAOYSA-N -2 3 354.315 1.129 20 0 FDADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001260229916 960717032 /nfs/dbraw/zinc/71/70/32/960717032.db2.gz SAICHVWPXKCXBG-OAHLLOKOSA-N -2 3 363.391 1.968 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)o1 ZINC001574037199 962048221 /nfs/dbraw/zinc/04/82/21/962048221.db2.gz LSDGNIKTRKTBSP-UHFFFAOYSA-N -2 3 354.340 1.152 20 0 FDADHL O=C([O-])[C@H](CNC(=O)c1cc([O-])cc(Br)c1)[C@@H]1CCOC1 ZINC001344581160 962206431 /nfs/dbraw/zinc/20/64/31/962206431.db2.gz KWALIYMRVNSXNK-PRHODGIISA-N -2 3 358.188 1.622 20 0 FDADHL COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)nc21 ZINC001574094919 962360937 /nfs/dbraw/zinc/36/09/37/962360937.db2.gz KTKWNIVPAHPRPD-UWVGGRQHSA-N -2 3 361.354 1.558 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccnc(OC)c2F)cc1C(=O)[O-] ZINC001185277383 963896858 /nfs/dbraw/zinc/89/68/58/963896858.db2.gz DOIDYZDPWHDYFY-UHFFFAOYSA-N -2 3 356.331 1.737 20 0 FDADHL Cc1nc2c(C)cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cn2n1 ZINC001185566905 963979946 /nfs/dbraw/zinc/97/99/46/963979946.db2.gz SGVBQBYJEMGFDO-UHFFFAOYSA-N -2 3 370.398 1.327 20 0 FDADHL Cn1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC001185566651 963980021 /nfs/dbraw/zinc/98/00/21/963980021.db2.gz QFAGNMVVXIMZQT-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cn1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC001185566651 963980028 /nfs/dbraw/zinc/98/00/28/963980028.db2.gz QFAGNMVVXIMZQT-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL O=S(=O)([N-]c1nsc2ncccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567727 963980655 /nfs/dbraw/zinc/98/06/55/963980655.db2.gz FDCVQVINVOHOFC-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL O=S(=O)([N-]c1nsc2ncccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567727 963980658 /nfs/dbraw/zinc/98/06/58/963980658.db2.gz FDCVQVINVOHOFC-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C(C)=O ZINC001185604589 964000277 /nfs/dbraw/zinc/00/02/77/964000277.db2.gz LNHQMSVJFRTSOD-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL O=S(=O)([N-]c1cc(F)cc(F)c1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185612377 964005789 /nfs/dbraw/zinc/00/57/89/964005789.db2.gz KCOATWHTXGTXJD-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1cc(F)cc(F)c1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185612377 964005793 /nfs/dbraw/zinc/00/57/93/964005793.db2.gz KCOATWHTXGTXJD-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL COc1ccc(OC)c(OCCC(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001186223865 964359499 /nfs/dbraw/zinc/35/94/99/964359499.db2.gz HJYJFTXCIZJXGG-UHFFFAOYSA-N -2 3 361.331 1.547 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2[n-]nc(C)c2C(=O)OC)c2ccccc2n1 ZINC000775063322 964849258 /nfs/dbraw/zinc/84/92/58/964849258.db2.gz QFYDCQNNDZGAHE-UHFFFAOYSA-N -2 3 374.422 1.838 20 0 FDADHL COC(=O)C([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)=C(C)[O-] ZINC001187078485 964999085 /nfs/dbraw/zinc/99/90/85/964999085.db2.gz YYIXYMOBBJZPBK-LLVKDONJSA-N -2 3 354.211 1.543 20 0 FDADHL Cc1cccc(C)c1N1C[C@H](C(=O)NCCCCP(=O)([O-])[O-])CC1=O ZINC001180680353 965495487 /nfs/dbraw/zinc/49/54/87/965495487.db2.gz XPPNTLIBOIRDIX-CQSZACIVSA-N -2 3 368.370 1.730 20 0 FDADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000776598825 967340313 /nfs/dbraw/zinc/34/03/13/967340313.db2.gz FOKGNRWLWMZFSD-VIFPVBQESA-N -2 3 353.849 1.950 20 0 FDADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852736213 967565569 /nfs/dbraw/zinc/56/55/69/967565569.db2.gz WCZNOZWRBIEELA-HNNXBMFYSA-N -2 3 370.453 1.762 20 0 FDADHL O=C([O-])c1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852738340 967568545 /nfs/dbraw/zinc/56/85/45/967568545.db2.gz YRNJJPJPIJMLAA-VXGBXAGGSA-N -3 3 374.315 1.481 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000776633448 967714877 /nfs/dbraw/zinc/71/48/77/967714877.db2.gz CUVMZPDBKKEIOH-WFASDCNBSA-N -2 3 359.375 1.534 20 0 FDADHL CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@@H](C)C(=O)[O-] ZINC000852954499 967729809 /nfs/dbraw/zinc/72/98/09/967729809.db2.gz JPLNNKZDSPUUFH-JTQLQIEISA-N -2 3 374.434 1.838 20 0 FDADHL CSc1ncc(C(=O)Nc2nc[n-]c(=O)c2Br)c(=O)[n-]1 ZINC001191429819 968505119 /nfs/dbraw/zinc/50/51/19/968505119.db2.gz UKAGYRHXSVZJRI-UHFFFAOYSA-N -2 3 358.177 1.415 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192796703 969303697 /nfs/dbraw/zinc/30/36/97/969303697.db2.gz HDECUJZVTICFGD-UHFFFAOYSA-N -2 3 354.265 1.824 20 0 FDADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cnc(C(=O)[O-])cn3)c2)n1 ZINC001605092011 972740509 /nfs/dbraw/zinc/74/05/09/972740509.db2.gz IZHJFEZQZZTDGZ-UHFFFAOYSA-N -2 3 352.306 1.865 20 0 FDADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000863407255 972877917 /nfs/dbraw/zinc/87/79/17/972877917.db2.gz FTWWBNGNDGZFMI-QMMMGPOBSA-N -2 3 370.246 1.530 20 0 FDADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000863416789 972892850 /nfs/dbraw/zinc/89/28/50/972892850.db2.gz NUWSZLIIFWDVMK-VIFPVBQESA-N -2 3 357.215 1.545 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2Cl)n1C ZINC001198399480 973059550 /nfs/dbraw/zinc/05/95/50/973059550.db2.gz ASSVHYSVBSNFRB-UHFFFAOYSA-N -2 3 365.820 1.429 20 0 FDADHL 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ZINC001599354687 998159296 /nfs/dbraw/zinc/15/92/96/998159296.db2.gz OMMUMFFYFODRMM-CYBMUJFWSA-N -2 3 363.341 1.974 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2F)s1 ZINC001598988085 998712898 /nfs/dbraw/zinc/71/28/98/998712898.db2.gz BDZPHLLPZAXMCR-UHFFFAOYSA-N -2 3 373.383 1.851 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC001599022642 998993107 /nfs/dbraw/zinc/99/31/07/998993107.db2.gz PQBVMWLUDLOJLN-UHFFFAOYSA-N -2 3 369.420 1.974 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CN1C1CC1 ZINC001594264048 999019883 /nfs/dbraw/zinc/01/98/83/999019883.db2.gz KDNLKVQIOQNNGS-WPRPVWTQSA-N -2 3 360.382 1.567 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)c(F)cc1[O-] ZINC000648317492 1010428934 /nfs/dbraw/zinc/42/89/34/1010428934.db2.gz NVFOVYRPGGZCLH-SSDOTTSWSA-N -2 3 358.167 1.536 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000650232503 1011435050 /nfs/dbraw/zinc/43/50/50/1011435050.db2.gz ASVYHSHXQAZXKH-RDDDGLTNSA-N -2 3 371.806 1.146 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000650232503 1011435062 /nfs/dbraw/zinc/43/50/62/1011435062.db2.gz ASVYHSHXQAZXKH-RDDDGLTNSA-N -2 3 371.806 1.146 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)ccc1C(=O)[O-] ZINC000506630573 538902011 /nfs/dbraw/zinc/90/20/11/538902011.db2.gz DHBPZMSFKSQIBN-UHFFFAOYSA-N -2 3 363.395 1.662 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N(CC(=O)[O-])c2ccccc2)ccc1F ZINC000508025713 538925213 /nfs/dbraw/zinc/92/52/13/538925213.db2.gz RPQLZHSNTTYVPW-UHFFFAOYSA-N -2 3 366.370 1.929 20 0 FDADHL CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000223858892 178270149 /nfs/dbraw/zinc/27/01/49/178270149.db2.gz WUISGKVOZNSYLC-YFKPBYRVSA-N -2 3 358.235 1.522 20 0 FDADHL COCC1(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)CC1 ZINC000520819705 539511131 /nfs/dbraw/zinc/51/11/31/539511131.db2.gz JTHBKWUYPUXAGW-UHFFFAOYSA-N -2 3 352.368 1.559 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000264478594 179118267 /nfs/dbraw/zinc/11/82/67/179118267.db2.gz LBCHKGUPZCTAED-AWEZNQCLSA-N -2 3 363.395 1.747 20 0 FDADHL CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000268942353 180184775 /nfs/dbraw/zinc/18/47/75/180184775.db2.gz MKSCKZKZVJSOQP-CYBMUJFWSA-N -2 3 374.434 1.742 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1 ZINC000269129237 180222852 /nfs/dbraw/zinc/22/28/52/180222852.db2.gz GGWSFXPFMPOTTI-UHFFFAOYSA-N -2 3 360.446 1.193 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530367590 539952804 /nfs/dbraw/zinc/95/28/04/539952804.db2.gz QCTLTLHESPEXNT-LBPRGKRZSA-N -2 3 359.375 1.534 20 0 FDADHL NC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000530421759 539968236 /nfs/dbraw/zinc/96/82/36/539968236.db2.gz ABYZJIFSMFEIGR-CYBMUJFWSA-N -2 3 368.798 1.543 20 0 FDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])c1 ZINC000530436056 539973070 /nfs/dbraw/zinc/97/30/70/539973070.db2.gz SOUITRJRGPOOQU-VIFPVBQESA-N -2 3 363.848 1.647 20 0 FDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000274877398 181183992 /nfs/dbraw/zinc/18/39/92/181183992.db2.gz BYIHJOQCDPXPTE-QMMMGPOBSA-N -2 3 361.725 1.473 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)oc1C ZINC000274872938 181183279 /nfs/dbraw/zinc/18/32/79/181183279.db2.gz BAZFAGYNAHTUHS-UHFFFAOYSA-N -2 3 367.379 1.594 20 0 FDADHL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)Cc1ccon1)OCCCO2 ZINC000274893290 181187905 /nfs/dbraw/zinc/18/79/05/181187905.db2.gz GITCAYHYKJXOQE-UHFFFAOYSA-N -2 3 354.340 1.476 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])s1 ZINC000274932868 181198865 /nfs/dbraw/zinc/19/88/65/181198865.db2.gz DMPFAOWQYYAFNY-MRVPVSSYSA-N -2 3 365.429 1.323 20 0 FDADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000274934858 181199623 /nfs/dbraw/zinc/19/96/23/181199623.db2.gz DXJWJQIUKIVSCU-SECBINFHSA-N -2 3 352.865 1.619 20 0 FDADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000275020902 181218821 /nfs/dbraw/zinc/21/88/21/181218821.db2.gz RSJXIHDJGAGNLH-SECBINFHSA-N -2 3 367.420 1.008 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C)cc2)oc1C ZINC000275022847 181219732 /nfs/dbraw/zinc/21/97/32/181219732.db2.gz DPIHBOSLJXGJKZ-CQSZACIVSA-N -2 3 367.379 1.787 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000275048340 181225291 /nfs/dbraw/zinc/22/52/91/181225291.db2.gz WPIZRDOWURZWGF-SSDOTTSWSA-N -3 3 370.210 1.756 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000275330219 181291887 /nfs/dbraw/zinc/29/18/87/181291887.db2.gz UCIPFVWCXMRMPO-LLVKDONJSA-N -2 3 356.425 1.374 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c[nH]1 ZINC000534146194 540329689 /nfs/dbraw/zinc/32/96/89/540329689.db2.gz RMLCKEIUKOQROM-UHFFFAOYSA-N -2 3 356.331 1.748 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000275346286 181295694 /nfs/dbraw/zinc/29/56/94/181295694.db2.gz VSLVOTFDFPBNIL-VIFPVBQESA-N -2 3 353.755 1.164 20 0 FDADHL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)nc2n1 ZINC000535893077 540525243 /nfs/dbraw/zinc/52/52/43/540525243.db2.gz XIYIDDRSQPFOPT-UHFFFAOYSA-N -2 3 357.754 1.319 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000537195163 540699112 /nfs/dbraw/zinc/69/91/12/540699112.db2.gz FNKHFTBUBPOPMI-UHFFFAOYSA-N -2 3 371.436 1.746 20 0 FDADHL COCCn1nc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000537194448 540699566 /nfs/dbraw/zinc/69/95/66/540699566.db2.gz OLYSZBRJOGVIEW-UHFFFAOYSA-N -2 3 355.416 1.661 20 0 FDADHL O=S(=O)([N-]C1CCC([N-]S(=O)(=O)c2ccco2)CC1)c1ccco1 ZINC000275413450 181312408 /nfs/dbraw/zinc/31/24/08/181312408.db2.gz BHFMTTOUCUKBTG-UHFFFAOYSA-N -2 3 374.440 1.441 20 0 FDADHL CCc1ncc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cn1 ZINC000541825229 541273966 /nfs/dbraw/zinc/27/39/66/541273966.db2.gz WTTUHQLMYIWUGM-UHFFFAOYSA-N -2 3 374.419 1.350 20 0 FDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)cc(F)c2)(C(=O)[O-])C1(C)C ZINC000275671595 181382690 /nfs/dbraw/zinc/38/26/90/181382690.db2.gz PWYQPLFOOPZWLV-WFASDCNBSA-N -2 3 363.382 1.902 20 0 FDADHL Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(=O)[n-]1 ZINC000544261131 541742106 /nfs/dbraw/zinc/74/21/06/541742106.db2.gz GVTZGSZWJUUSCK-AWEZNQCLSA-N -2 3 356.382 1.117 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c(F)c1 ZINC000544926004 541855724 /nfs/dbraw/zinc/85/57/24/541855724.db2.gz ZKSNFFHNPCXLGL-UHFFFAOYSA-N -2 3 370.333 1.580 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)cc1C ZINC000296932099 184216386 /nfs/dbraw/zinc/21/63/86/184216386.db2.gz LSWLIQPKWNGYHM-NXEZZACHSA-N -2 3 357.359 1.228 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)n[n-]1 ZINC000547301653 542306300 /nfs/dbraw/zinc/30/63/00/542306300.db2.gz IVSCNVADSJZIIU-UHFFFAOYSA-N -2 3 353.356 1.158 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000547549305 542370660 /nfs/dbraw/zinc/37/06/60/542370660.db2.gz GRGLZDSGMQYCLJ-LLVKDONJSA-N -2 3 357.819 1.295 20 0 FDADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547553176 542371793 /nfs/dbraw/zinc/37/17/93/542371793.db2.gz DHXKLUBHDKVBBE-QMMMGPOBSA-N -3 3 363.800 1.761 20 0 FDADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547561137 542374756 /nfs/dbraw/zinc/37/47/56/542374756.db2.gz NAEKFDFUVIQDNY-RISCZKNCSA-N -2 3 374.802 1.696 20 0 FDADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000547567389 542377565 /nfs/dbraw/zinc/37/75/65/542377565.db2.gz FZWDQZPZINNFGX-DZGCQCFKSA-N -2 3 367.383 1.778 20 0 FDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C(=O)[O-])n1 ZINC000547574006 542379967 /nfs/dbraw/zinc/37/99/67/542379967.db2.gz DXSFMZUKJVORLZ-AWEZNQCLSA-N -2 3 373.381 1.351 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC000547577304 542381213 /nfs/dbraw/zinc/38/12/13/542381213.db2.gz YCFSHPCFTRNWBA-ZDUSSCGKSA-N -2 3 354.453 1.982 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])c(Cl)cc1F ZINC000547871073 542470205 /nfs/dbraw/zinc/47/02/05/542470205.db2.gz ZGNDBAUCWZMNPN-NSHDSACASA-N -2 3 361.782 1.485 20 0 FDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547878803 542474003 /nfs/dbraw/zinc/47/40/03/542474003.db2.gz CUOMKYDTBQGRFH-ZCFIWIBFSA-N -2 3 370.717 1.161 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(C)o1 ZINC000547881472 542475567 /nfs/dbraw/zinc/47/55/67/542475567.db2.gz GXVDAYUTMSURFL-ZDUSSCGKSA-N -2 3 353.352 1.479 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000547884524 542476121 /nfs/dbraw/zinc/47/61/21/542476121.db2.gz IAWOPXSUZGMUFL-JTQLQIEISA-N -2 3 361.391 1.780 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c(C)o1 ZINC000547888804 542478031 /nfs/dbraw/zinc/47/80/31/542478031.db2.gz LNXHAHOOYRBHAH-MGPLVRAMSA-N -2 3 373.427 1.934 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-] ZINC000547901048 542482461 /nfs/dbraw/zinc/48/24/61/542482461.db2.gz ITRXSCATESSZMB-CYBMUJFWSA-N -2 3 373.402 1.924 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000547909470 542485198 /nfs/dbraw/zinc/48/51/98/542485198.db2.gz ORLLPAKIGBSXPL-LBPRGKRZSA-N -2 3 361.803 1.658 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000547921948 542489016 /nfs/dbraw/zinc/48/90/16/542489016.db2.gz BVUOSPZEHZIPTC-ZDUSSCGKSA-N -2 3 353.400 1.406 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])s1 ZINC000547893106 542480105 /nfs/dbraw/zinc/48/01/05/542480105.db2.gz XOWRDDATAHKHRK-SNVBAGLBSA-N -2 3 363.457 1.775 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000547934586 542492289 /nfs/dbraw/zinc/49/22/89/542492289.db2.gz GAQQRSASYXZCKB-KOLCDFICSA-N -2 3 373.324 1.737 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000547937114 542493822 /nfs/dbraw/zinc/49/38/22/542493822.db2.gz TWVQSEXDJKROAZ-NSHDSACASA-N -2 3 361.391 1.780 20 0 FDADHL COc1cc(=NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)[n-]n1C ZINC000548144970 542569836 /nfs/dbraw/zinc/56/98/36/542569836.db2.gz OIBVRRVURAANFJ-UHFFFAOYSA-N -2 3 368.397 1.866 20 0 FDADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548194054 542579747 /nfs/dbraw/zinc/57/97/47/542579747.db2.gz RCXJIYQEANNHDO-JOYOIKCWSA-N -2 3 359.375 1.997 20 0 FDADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC000548203823 542584497 /nfs/dbraw/zinc/58/44/97/542584497.db2.gz SQJPEWXWNMLIMD-UHFFFAOYSA-N -2 3 362.379 1.949 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000548207652 542585584 /nfs/dbraw/zinc/58/55/84/542585584.db2.gz MOAQTIUXJWCSBL-WCQYABFASA-N -2 3 368.436 1.578 20 0 FDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C(=O)[O-])c1 ZINC000548207854 542586116 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20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-] ZINC000548555917 542702363 /nfs/dbraw/zinc/70/23/63/542702363.db2.gz RWMRTOVGSAREDD-VIFPVBQESA-N -2 3 373.408 1.066 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)c(F)cc1F ZINC000548590367 542712433 /nfs/dbraw/zinc/71/24/33/542712433.db2.gz KZUIXPLFCODEQH-ZDUSSCGKSA-N -2 3 363.382 1.821 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000548591204 542712724 /nfs/dbraw/zinc/71/27/24/542712724.db2.gz COXSTJIKVRPXFE-NSHDSACASA-N -2 3 361.782 1.187 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000548593257 542714211 /nfs/dbraw/zinc/71/42/11/542714211.db2.gz SZZUCJJLFIYZDZ-GFCCVEGCSA-N -2 3 361.803 1.658 20 0 FDADHL CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000096703853 172324618 /nfs/dbraw/zinc/32/46/18/172324618.db2.gz GKYBMYQJSUZRAZ-ZCFIWIBFSA-N -2 3 372.262 1.912 20 0 FDADHL CCOC(=O)c1c[n-]n(C2CCN(Cc3nc(C)ccc3[O-])CC2)c1=N ZINC000128241017 173104009 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CCC[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000572816671 549999992 /nfs/dbraw/zinc/99/99/92/549999992.db2.gz BLLUEGWQLDKGCP-NEPJUHHUSA-N -2 3 353.799 1.513 20 0 FDADHL Cc1oc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1C(=O)[O-] ZINC000572816867 550000034 /nfs/dbraw/zinc/00/00/34/550000034.db2.gz VDHFNBICIKCLPM-UHFFFAOYSA-N -2 3 365.363 1.730 20 0 FDADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000573196448 550084369 /nfs/dbraw/zinc/08/43/69/550084369.db2.gz QLFGVGPSXAPPKC-NSHDSACASA-N -2 3 373.427 1.959 20 0 FDADHL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000573260705 550098544 /nfs/dbraw/zinc/09/85/44/550098544.db2.gz HJYUKZWDSBPTSV-UHFFFAOYSA-N -2 3 368.317 1.658 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]CCC[C@@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000573300280 550106137 /nfs/dbraw/zinc/10/61/37/550106137.db2.gz MNDYZMALEUQIJK-HNNXBMFYSA-N -2 3 365.455 1.731 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000575063248 550419226 /nfs/dbraw/zinc/41/92/26/550419226.db2.gz OKSFLXUHWKZZLC-MGCOHNPYSA-N -2 3 361.445 1.271 20 0 FDADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000575865314 550484642 /nfs/dbraw/zinc/48/46/42/550484642.db2.gz XYOLXJAVFNRBCS-UHFFFAOYSA-N -2 3 373.456 1.538 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000576024456 550502757 /nfs/dbraw/zinc/50/27/57/550502757.db2.gz BYTBAEWHQRGRHO-MRVPVSSYSA-N -2 3 357.306 1.195 20 0 FDADHL Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C2 ZINC000576135369 550514599 /nfs/dbraw/zinc/51/45/99/550514599.db2.gz UKIFIPHLJLSTNJ-NSHDSACASA-N -2 3 353.425 1.381 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000576385348 550543228 /nfs/dbraw/zinc/54/32/28/550543228.db2.gz BVOVETLXNSSSBJ-SKDRFNHKSA-N -2 3 351.808 1.241 20 0 FDADHL COC1(CS(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])CCCC1 ZINC000577031920 550612516 /nfs/dbraw/zinc/61/25/16/550612516.db2.gz CROMUQDWKIKXCW-AWEZNQCLSA-N -2 3 357.428 1.397 20 0 FDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)c([O-])c1 ZINC000577031742 550612686 /nfs/dbraw/zinc/61/26/86/550612686.db2.gz AIXVFRPKUWHZRX-UHFFFAOYSA-N -2 3 371.333 1.890 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c(F)c1 ZINC000577678900 550682666 /nfs/dbraw/zinc/68/26/66/550682666.db2.gz MLSXJBRTFKHTBX-GFCCVEGCSA-N -2 3 359.375 1.534 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)n[n-]1 ZINC000578432409 550762798 /nfs/dbraw/zinc/76/27/98/550762798.db2.gz MKLFKLOGIOHJCN-ZDUSSCGKSA-N -2 3 367.427 1.586 20 0 FDADHL O=C([O-])[C@@H](CCC(=O)c1ccccc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000579192779 550845345 /nfs/dbraw/zinc/84/53/45/550845345.db2.gz FYVHOXNFOHSQPS-CQSZACIVSA-N -2 3 366.370 1.615 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000579205136 550846715 /nfs/dbraw/zinc/84/67/15/550846715.db2.gz JBXFNQZSAFGLIQ-CQSZACIVSA-N -2 3 365.455 1.765 20 0 FDADHL CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)C(=O)[O-])c(F)cc1F ZINC000580315618 550965962 /nfs/dbraw/zinc/96/59/62/550965962.db2.gz KYZLJJYCRGTUDY-ZETCQYMHSA-N -2 3 350.343 1.776 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000580608077 550999741 /nfs/dbraw/zinc/99/97/41/550999741.db2.gz CREOZPCFULTFNY-UHFFFAOYSA-N -2 3 362.404 1.744 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000581791416 551135340 /nfs/dbraw/zinc/13/53/40/551135340.db2.gz ARVAZPIDPQQWIU-ONGXEEELSA-N -2 3 363.819 1.507 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000583028326 551293905 /nfs/dbraw/zinc/29/39/05/551293905.db2.gz MDWQZILCMRHAMS-SSDLBLMSSA-N -2 3 372.624 1.215 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000583237277 551323317 /nfs/dbraw/zinc/32/33/17/551323317.db2.gz VIDYJGBPAUTJBO-SFYZADRCSA-N -2 3 373.374 1.925 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC(C)(C)O1 ZINC000584229738 551467220 /nfs/dbraw/zinc/46/72/20/551467220.db2.gz NXCUWPKAADZEDZ-JTQLQIEISA-N -2 3 361.391 1.768 20 0 FDADHL COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000584410907 551492834 /nfs/dbraw/zinc/49/28/34/551492834.db2.gz YJKCSQNTITVPJX-NOZJJQNGSA-N -2 3 369.399 1.171 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(OC)c1 ZINC000592429043 551994216 /nfs/dbraw/zinc/99/42/16/551994216.db2.gz OYHUSCPWDXJETL-UHFFFAOYSA-N -2 3 362.363 1.388 20 0 FDADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000592450732 551997663 /nfs/dbraw/zinc/99/76/63/551997663.db2.gz OTGTVSNMOWTUOX-QWRGUYRKSA-N -2 3 361.489 1.513 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)[O-] ZINC000592455450 551998011 /nfs/dbraw/zinc/99/80/11/551998011.db2.gz AJXFSOHXZMXQOW-VIFPVBQESA-N -2 3 365.791 1.277 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](CSCC=C(C)C)C(=O)[O-] ZINC000593257602 552077664 /nfs/dbraw/zinc/07/76/64/552077664.db2.gz USMZTEKWWZAEDV-GFCCVEGCSA-N -2 3 374.484 1.911 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-] ZINC000593257603 552077711 /nfs/dbraw/zinc/07/77/11/552077711.db2.gz USMZTEKWWZAEDV-LBPRGKRZSA-N -2 3 374.484 1.911 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000593272072 552079962 /nfs/dbraw/zinc/07/99/62/552079962.db2.gz BVEZLLAUTIISIW-GFCCVEGCSA-N -2 3 373.402 1.782 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)n[n-]1 ZINC000600651281 553291576 /nfs/dbraw/zinc/29/15/76/553291576.db2.gz FVEVSOKLRRKONF-CYBMUJFWSA-N -2 3 371.390 1.855 20 0 FDADHL CCO[C@@H](CS(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC)C1CC1 ZINC000600654803 553292161 /nfs/dbraw/zinc/29/21/61/553292161.db2.gz FROWESBQAYQOCG-NSHDSACASA-N -2 3 374.415 1.145 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cnc3ccsc3c2)s1 ZINC000607892728 554179501 /nfs/dbraw/zinc/17/95/01/554179501.db2.gz DRBXMEJULMRPEY-UHFFFAOYSA-N -2 3 355.426 1.772 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c[n-]1 ZINC000618906672 555693877 /nfs/dbraw/zinc/69/38/77/555693877.db2.gz SRBIHUQKAKOCSG-UHFFFAOYSA-N -2 3 366.399 1.089 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)[n-]1 ZINC000618906672 555693880 /nfs/dbraw/zinc/69/38/80/555693880.db2.gz SRBIHUQKAKOCSG-UHFFFAOYSA-N -2 3 366.399 1.089 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c[n-]1 ZINC000618906622 555694031 /nfs/dbraw/zinc/69/40/31/555694031.db2.gz RFKUVRRIYKEYFO-UHFFFAOYSA-N -2 3 366.399 1.370 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)[n-]1 ZINC000618906622 555694034 /nfs/dbraw/zinc/69/40/34/555694034.db2.gz RFKUVRRIYKEYFO-UHFFFAOYSA-N -2 3 366.399 1.370 20 0 FDADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1c[n-]nc1-c1ccccn1 ZINC000629102768 557726477 /nfs/dbraw/zinc/72/64/77/557726477.db2.gz CAZQJZMUBRODRT-UHFFFAOYSA-N -2 3 356.411 1.891 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c(F)c1F ZINC000629294236 557754435 /nfs/dbraw/zinc/75/44/35/557754435.db2.gz VPJXQDSAXKLPAK-LLVKDONJSA-N -2 3 370.377 1.890 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CCCO1 ZINC000630421676 557907740 /nfs/dbraw/zinc/90/77/40/557907740.db2.gz GWRKBEDIDOUQTB-RCOVLWMOSA-N -2 3 359.347 1.677 20 0 FDADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735963123 598909188 /nfs/dbraw/zinc/90/91/88/598909188.db2.gz APCGSAKXZZIVGF-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735963123 598909190 /nfs/dbraw/zinc/90/91/90/598909190.db2.gz APCGSAKXZZIVGF-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000737226079 598949435 /nfs/dbraw/zinc/94/94/35/598949435.db2.gz NXAMXLUPVHVUJI-UHFFFAOYSA-N -2 3 361.431 1.927 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000737226079 598949436 /nfs/dbraw/zinc/94/94/36/598949436.db2.gz NXAMXLUPVHVUJI-UHFFFAOYSA-N -2 3 361.431 1.927 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000737297956 598976083 /nfs/dbraw/zinc/97/60/83/598976083.db2.gz HGRWMXBXKTVWME-SREVYHEPSA-N -2 3 359.367 1.286 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000737297956 598976085 /nfs/dbraw/zinc/97/60/85/598976085.db2.gz HGRWMXBXKTVWME-SREVYHEPSA-N -2 3 359.367 1.286 20 0 FDADHL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737326073 599025453 /nfs/dbraw/zinc/02/54/53/599025453.db2.gz KWCMAWHZLHOYCT-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737326073 599025455 /nfs/dbraw/zinc/02/54/55/599025455.db2.gz KWCMAWHZLHOYCT-UHFFFAOYSA-N -2 3 363.424 1.664 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736182462 599219935 /nfs/dbraw/zinc/21/99/35/599219935.db2.gz FXHGQCLQFXEKDX-LLVKDONJSA-N -2 3 367.365 1.649 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736182462 599219937 /nfs/dbraw/zinc/21/99/37/599219937.db2.gz FXHGQCLQFXEKDX-LLVKDONJSA-N -2 3 367.365 1.649 20 0 FDADHL CCc1cnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821499705 599233325 /nfs/dbraw/zinc/23/33/25/599233325.db2.gz OZUJNKAZNXDEOO-UHFFFAOYSA-N -2 3 350.429 1.995 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000769511909 597495967 /nfs/dbraw/zinc/49/59/67/597495967.db2.gz RZZIMHJBMORKSF-LLVKDONJSA-N -2 3 358.391 1.059 20 0 FDADHL CN(CC(=O)[O-])C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000820562512 597641663 /nfs/dbraw/zinc/64/16/63/597641663.db2.gz KIARQEHUIVVQIS-INIZCTEOSA-N -2 3 356.378 1.796 20 0 FDADHL C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820115447 597657341 /nfs/dbraw/zinc/65/73/41/597657341.db2.gz WHYZCRFDQNBZFP-WBMJQRKESA-N -2 3 356.378 1.843 20 0 FDADHL Cc1nn2c(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)n[n-]c2nc1=O ZINC000737524364 599290493 /nfs/dbraw/zinc/29/04/93/599290493.db2.gz YLDBKKHBDRZXNL-MRVPVSSYSA-N -2 3 355.387 1.154 20 0 FDADHL Cc1nn2c(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)n[n-]c2nc1=O ZINC000737524364 599290495 /nfs/dbraw/zinc/29/04/95/599290495.db2.gz YLDBKKHBDRZXNL-MRVPVSSYSA-N -2 3 355.387 1.154 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000738139729 598415077 /nfs/dbraw/zinc/41/50/77/598415077.db2.gz OIMADCQHPUJWNR-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000738139729 598415078 /nfs/dbraw/zinc/41/50/78/598415078.db2.gz OIMADCQHPUJWNR-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL CCS[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736664046 598481336 /nfs/dbraw/zinc/48/13/36/598481336.db2.gz HSBCYSLWDMXBEV-LBPRGKRZSA-N -2 3 369.472 1.449 20 0 FDADHL CCS[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736664046 598481338 /nfs/dbraw/zinc/48/13/38/598481338.db2.gz HSBCYSLWDMXBEV-LBPRGKRZSA-N -2 3 369.472 1.449 20 0 FDADHL Cc1ccc(C)c(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737326886 598491417 /nfs/dbraw/zinc/49/14/17/598491417.db2.gz SUEQSNGZBFXOCA-AREMUKBSSA-N -2 3 369.450 1.908 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736880922 598512698 /nfs/dbraw/zinc/51/26/98/598512698.db2.gz BHZJLHHNIPRGJZ-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736880922 598512700 /nfs/dbraw/zinc/51/27/00/598512700.db2.gz BHZJLHHNIPRGJZ-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737510895 598513463 /nfs/dbraw/zinc/51/34/63/598513463.db2.gz GXRMRZCPXMMYTN-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737510895 598513464 /nfs/dbraw/zinc/51/34/64/598513464.db2.gz GXRMRZCPXMMYTN-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737323132 598565734 /nfs/dbraw/zinc/56/57/34/598565734.db2.gz PDFSRPUICKPSML-UHFFFAOYSA-N -2 3 371.422 1.531 20 0 FDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737323132 598565736 /nfs/dbraw/zinc/56/57/36/598565736.db2.gz PDFSRPUICKPSML-UHFFFAOYSA-N -2 3 371.422 1.531 20 0 FDADHL O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136622 598597487 /nfs/dbraw/zinc/59/74/87/598597487.db2.gz HOSCWYPQZMDJTI-GJZGRUSLSA-N -2 3 358.402 1.410 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737294070 598720214 /nfs/dbraw/zinc/72/02/14/598720214.db2.gz LKERYKRZFXRESC-UHFFFAOYSA-N -2 3 363.337 1.771 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737294070 598720216 /nfs/dbraw/zinc/72/02/16/598720216.db2.gz LKERYKRZFXRESC-UHFFFAOYSA-N -2 3 363.337 1.771 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736425295 598785116 /nfs/dbraw/zinc/78/51/16/598785116.db2.gz VPCYRRQRNMHOKX-NSHDSACASA-N -2 3 367.431 1.128 20 0 FDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737192957 598785442 /nfs/dbraw/zinc/78/54/42/598785442.db2.gz NCTSWMRKZCAVIC-UHFFFAOYSA-N -2 3 365.396 1.300 20 0 FDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737192957 598785443 /nfs/dbraw/zinc/78/54/43/598785443.db2.gz NCTSWMRKZCAVIC-UHFFFAOYSA-N -2 3 365.396 1.300 20 0 FDADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736459550 598786727 /nfs/dbraw/zinc/78/67/27/598786727.db2.gz DVFDRPVCMJINHZ-LLVKDONJSA-N -2 3 367.431 1.018 20 0 FDADHL CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736459550 598786729 /nfs/dbraw/zinc/78/67/29/598786729.db2.gz DVFDRPVCMJINHZ-LLVKDONJSA-N -2 3 367.431 1.018 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000822223572 599307098 /nfs/dbraw/zinc/30/70/98/599307098.db2.gz BUWSBWWUIPGKAK-UHFFFAOYSA-N -2 3 361.431 1.828 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1n[nH]c2ccccc12 ZINC000737225244 599324043 /nfs/dbraw/zinc/32/40/43/599324043.db2.gz AJNIHRAYRJAANP-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1n[nH]c2ccccc12 ZINC000737225244 599324046 /nfs/dbraw/zinc/32/40/46/599324046.db2.gz AJNIHRAYRJAANP-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736205806 599515493 /nfs/dbraw/zinc/51/54/93/599515493.db2.gz ZOAZTOLZNURMDX-LLVKDONJSA-N -2 3 357.395 1.688 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736205806 599515495 /nfs/dbraw/zinc/51/54/95/599515495.db2.gz ZOAZTOLZNURMDX-LLVKDONJSA-N -2 3 357.395 1.688 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCC(C)(C)C ZINC000737297548 599618084 /nfs/dbraw/zinc/61/80/84/599618084.db2.gz BIHRNSQYWIHUPA-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCC(C)(C)C ZINC000737297548 599618086 /nfs/dbraw/zinc/61/80/86/599618086.db2.gz BIHRNSQYWIHUPA-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000819766174 599619482 /nfs/dbraw/zinc/61/94/82/599619482.db2.gz VUUVPVJVPONONN-LUAWRHEFSA-N -2 3 363.443 1.805 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000819766174 599619483 /nfs/dbraw/zinc/61/94/83/599619483.db2.gz VUUVPVJVPONONN-LUAWRHEFSA-N -2 3 363.443 1.805 20 0 FDADHL Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227369 599620725 /nfs/dbraw/zinc/62/07/25/599620725.db2.gz GMSPBQVKUPFTMY-JTQLQIEISA-N -2 3 361.383 1.377 20 0 FDADHL Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227369 599620726 /nfs/dbraw/zinc/62/07/26/599620726.db2.gz GMSPBQVKUPFTMY-JTQLQIEISA-N -2 3 361.383 1.377 20 0 FDADHL CC[C@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000261769945 599745393 /nfs/dbraw/zinc/74/53/93/599745393.db2.gz PCZCHNVGGJVNRR-CPCISQLKSA-N -2 3 368.864 1.295 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)o1 ZINC000740175635 599769440 /nfs/dbraw/zinc/76/94/40/599769440.db2.gz PWDKVMUYMOOARR-UHFFFAOYSA-N -2 3 350.396 1.709 20 0 FDADHL CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(C)C ZINC000737145129 599769918 /nfs/dbraw/zinc/76/99/18/599769918.db2.gz GAWSAKOZIYPKQD-JTQLQIEISA-N -2 3 362.404 1.417 20 0 FDADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249414 607397602 /nfs/dbraw/zinc/39/76/02/607397602.db2.gz BMTDAXYYKBFUQX-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249414 607397604 /nfs/dbraw/zinc/39/76/04/607397604.db2.gz BMTDAXYYKBFUQX-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(F)c1 ZINC000364891341 600211007 /nfs/dbraw/zinc/21/10/07/600211007.db2.gz ABGQFLZKJYRHOJ-UHFFFAOYSA-N -2 3 364.354 1.611 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC000737723343 600391898 /nfs/dbraw/zinc/39/18/98/600391898.db2.gz ITDBEVAYTPSDDG-QMMMGPOBSA-N -2 3 351.384 1.129 20 0 FDADHL Cc1nc(C)c(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)c(=O)[n-]1 ZINC000738847138 600554139 /nfs/dbraw/zinc/55/41/39/600554139.db2.gz KSUCMLQCIPFDEV-UHFFFAOYSA-N -2 3 351.388 1.239 20 0 FDADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(C)c1C ZINC000826235749 607461303 /nfs/dbraw/zinc/46/13/03/607461303.db2.gz QGVVWXRNIULUKI-UHFFFAOYSA-N -2 3 361.431 1.933 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000327965860 600731568 /nfs/dbraw/zinc/73/15/68/600731568.db2.gz WKPPKIKWYPLBEY-HNNXBMFYSA-N -2 3 363.391 1.886 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)OC)c2)on1 ZINC000737254130 600797268 /nfs/dbraw/zinc/79/72/68/600797268.db2.gz OIFLRXKPTSKMQF-UHFFFAOYSA-N -2 3 368.367 1.200 20 0 FDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000827375103 601121790 /nfs/dbraw/zinc/12/17/90/601121790.db2.gz PWCLFTADKHBLMX-JTQLQIEISA-N -2 3 371.231 1.776 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)o1 ZINC000833323183 601128646 /nfs/dbraw/zinc/12/86/46/601128646.db2.gz HOEWYYTUBYOIFP-UHFFFAOYSA-N -2 3 363.351 1.549 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])oc1C ZINC000261612853 601214359 /nfs/dbraw/zinc/21/43/59/601214359.db2.gz AJTPWVYRJIFSHQ-ZDUSSCGKSA-N -2 3 367.379 1.349 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC000833029010 601221925 /nfs/dbraw/zinc/22/19/25/601221925.db2.gz WTTPIJZYHBBLMM-SECBINFHSA-N -2 3 352.368 1.592 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)cc1C(=O)[O-] ZINC000833026712 601222297 /nfs/dbraw/zinc/22/22/97/601222297.db2.gz IPIJRXNJPXCUOH-ZDUSSCGKSA-N -2 3 358.416 1.212 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)oc1C ZINC000831343188 601224126 /nfs/dbraw/zinc/22/41/26/601224126.db2.gz FFMOKPJRVGOWKL-UHFFFAOYSA-N -2 3 359.400 1.831 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c1F ZINC000328383954 601230932 /nfs/dbraw/zinc/23/09/32/601230932.db2.gz SIIXPJLNTNYDRS-JTQLQIEISA-N -2 3 369.345 1.945 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCCC(=O)[O-])c1F ZINC000776444894 601232511 /nfs/dbraw/zinc/23/25/11/601232511.db2.gz GNJIACJLKVEYPM-UHFFFAOYSA-N -2 3 351.327 1.285 20 0 FDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000833205754 601270939 /nfs/dbraw/zinc/27/09/39/601270939.db2.gz ICYWHOQDIKRRPM-UHFFFAOYSA-N -2 3 353.318 1.406 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000262403706 601278727 /nfs/dbraw/zinc/27/87/27/601278727.db2.gz OLYOKEMIRTXPTE-DRZSPHRISA-N -2 3 370.427 1.354 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c(C)o1 ZINC000831033815 601358121 /nfs/dbraw/zinc/35/81/21/601358121.db2.gz FTMYFOFFNYGQDU-UHFFFAOYSA-N -2 3 371.342 1.690 20 0 FDADHL C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827517520 601565546 /nfs/dbraw/zinc/56/55/46/601565546.db2.gz OYLKQPMHEPHYRM-IUCAKERBSA-N -2 3 365.354 1.135 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)s1 ZINC000831444470 601596498 /nfs/dbraw/zinc/59/64/98/601596498.db2.gz CZXIZJJGORGVOJ-LBPRGKRZSA-N -2 3 361.441 1.847 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c1F ZINC000776574463 601611828 /nfs/dbraw/zinc/61/18/28/601611828.db2.gz KESVZHNIMZHMNL-VIFPVBQESA-N -2 3 363.338 1.283 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC000831034190 601682564 /nfs/dbraw/zinc/68/25/64/601682564.db2.gz NHGOWWMFIJMBMG-MRVPVSSYSA-N -2 3 371.342 1.943 20 0 FDADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262796868 601711483 /nfs/dbraw/zinc/71/14/83/601711483.db2.gz QWECRKCSORMPFW-KRWDZBQOSA-N -2 3 360.345 1.120 20 0 FDADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825068508 607526188 /nfs/dbraw/zinc/52/61/88/607526188.db2.gz SMKFQSXSQHWMBD-MRVPVSSYSA-N -2 3 373.822 1.394 20 0 FDADHL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825068508 607526190 /nfs/dbraw/zinc/52/61/90/607526190.db2.gz SMKFQSXSQHWMBD-MRVPVSSYSA-N -2 3 373.822 1.394 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000381331714 601804368 /nfs/dbraw/zinc/80/43/68/601804368.db2.gz XDXSQGKDFMBNQP-JTQLQIEISA-N -2 3 372.262 1.587 20 0 FDADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)cc1-c1nnn[n-]1 ZINC000826196618 607527974 /nfs/dbraw/zinc/52/79/74/607527974.db2.gz IKSTXSUVSQCAMN-UHFFFAOYSA-N -2 3 359.386 1.527 20 0 FDADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)cc1-c1nn[n-]n1 ZINC000826196618 607527977 /nfs/dbraw/zinc/52/79/77/607527977.db2.gz IKSTXSUVSQCAMN-UHFFFAOYSA-N -2 3 359.386 1.527 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826304043 607533010 /nfs/dbraw/zinc/53/30/10/607533010.db2.gz SSPRQPUOVUQGFU-UHFFFAOYSA-N -2 3 373.394 1.747 20 0 FDADHL CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000825750246 607535855 /nfs/dbraw/zinc/53/58/55/607535855.db2.gz NYGBKAWNBLSEHC-UHFFFAOYSA-N -2 3 365.806 1.673 20 0 FDADHL CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000825750246 607535857 /nfs/dbraw/zinc/53/58/57/607535857.db2.gz NYGBKAWNBLSEHC-UHFFFAOYSA-N -2 3 365.806 1.673 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(NC(=O)[O-])CCCCC1 ZINC000740246539 601987263 /nfs/dbraw/zinc/98/72/63/601987263.db2.gz OPRPKVYSTUUNLH-UHFFFAOYSA-N -2 3 364.855 1.631 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(CCNC(=O)[O-])cc1 ZINC000740262846 601998665 /nfs/dbraw/zinc/99/86/65/601998665.db2.gz AXNRAJRNSUQXGP-UHFFFAOYSA-N -2 3 353.400 1.580 20 0 FDADHL C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738987449 602005140 /nfs/dbraw/zinc/00/51/40/602005140.db2.gz KMQSOGNLJRGHIA-NXEZZACHSA-N -2 3 360.370 1.470 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c(=O)[n-]1 ZINC000740218069 602017889 /nfs/dbraw/zinc/01/78/89/602017889.db2.gz OWEFYERBBJHZIM-RISCZKNCSA-N -2 3 350.419 1.769 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc3c(c2)OCCO3)o1 ZINC000833323072 602125171 /nfs/dbraw/zinc/12/51/71/602125171.db2.gz BDZLPXNUTFEMCE-UHFFFAOYSA-N -2 3 367.379 1.660 20 0 FDADHL CCN(CC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000739435005 602552428 /nfs/dbraw/zinc/55/24/28/602552428.db2.gz XSJVIHPKAZFQRX-UHFFFAOYSA-N -2 3 357.251 1.789 20 0 FDADHL O=C([O-])N1CCc2nc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)sc2C1 ZINC000740477028 602565639 /nfs/dbraw/zinc/56/56/39/602565639.db2.gz OJCZHDXKQLIWSV-UHFFFAOYSA-N -2 3 372.362 1.315 20 0 FDADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000740713174 602645654 /nfs/dbraw/zinc/64/56/54/602645654.db2.gz MXYJDOIFYZFDDP-UHFFFAOYSA-N -2 3 360.355 1.553 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000739793431 602785856 /nfs/dbraw/zinc/78/58/56/602785856.db2.gz OCBHEAHAPWTMDL-SECBINFHSA-N -2 3 350.418 1.105 20 0 FDADHL O=C([O-])N[C@@H](CN/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000740533018 602820175 /nfs/dbraw/zinc/82/01/75/602820175.db2.gz HGXHECHRISMWLE-KMPOOHAWSA-N -2 3 351.362 1.896 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830861347 603135529 /nfs/dbraw/zinc/13/55/29/603135529.db2.gz NGZCOTAFKRXJMM-ZJUUUORDSA-N -2 3 364.855 1.487 20 0 FDADHL O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000832254661 603474385 /nfs/dbraw/zinc/47/43/85/603474385.db2.gz LQXHYNGIQGNGRZ-STQMWFEESA-N -2 3 361.398 1.113 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC2(NC(=O)[O-])CCCCC2)oc1C ZINC000828760677 603492082 /nfs/dbraw/zinc/49/20/82/603492082.db2.gz FUZRQBCDCCBHPF-UHFFFAOYSA-N -2 3 374.415 1.623 20 0 FDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])cc1 ZINC000832923103 604407899 /nfs/dbraw/zinc/40/78/99/604407899.db2.gz JVQMMYUEPSDLGV-NSHDSACASA-N -2 3 357.819 1.529 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC000833468421 604882291 /nfs/dbraw/zinc/88/22/91/604882291.db2.gz CHUDZTRUTPIKLA-SSDOTTSWSA-N -3 3 370.177 1.128 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCN(C(=O)[O-])C1 ZINC000833716013 605023833 /nfs/dbraw/zinc/02/38/33/605023833.db2.gz LRUJDDFJRDMTJD-JTQLQIEISA-N -2 3 360.363 1.033 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000829691752 605606115 /nfs/dbraw/zinc/60/61/15/605606115.db2.gz QRRRSAQBKVHMDI-NSHDSACASA-N -2 3 371.415 1.156 20 0 FDADHL O=C([O-])Nc1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000834254949 605649706 /nfs/dbraw/zinc/64/97/06/605649706.db2.gz FQRDCSJZTVLQTF-AWEZNQCLSA-N -2 3 363.414 1.809 20 0 FDADHL O=C([O-])Nc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000834254953 605650321 /nfs/dbraw/zinc/65/03/21/605650321.db2.gz FQRDCSJZTVLQTF-CQSZACIVSA-N -2 3 363.414 1.809 20 0 FDADHL CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCN1C[C@H](C)O ZINC000833850496 605652326 /nfs/dbraw/zinc/65/23/26/605652326.db2.gz JJBSCZYGGARLBK-AAEUAGOBSA-N -2 3 351.403 1.399 20 0 FDADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc3n[n-]nc32)cc1OC ZINC000833732062 605760594 /nfs/dbraw/zinc/76/05/94/605760594.db2.gz JWQJDOQPLBFTJD-ZDUSSCGKSA-N -2 3 370.365 1.921 20 0 FDADHL CCCN(C(=O)CNC(=O)c1ccc([O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000826862460 605817841 /nfs/dbraw/zinc/81/78/41/605817841.db2.gz JIYYEHYITSMBMD-UHFFFAOYSA-N -2 3 363.414 1.503 20 0 FDADHL O=C([O-])N1CCc2ncc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2C1 ZINC000834290651 605857938 /nfs/dbraw/zinc/85/79/38/605857938.db2.gz ULMNMLLOHYYQKR-DHDCSXOGSA-N -2 3 364.361 1.841 20 0 FDADHL O=C([O-])N1CCc2ncc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2C1 ZINC000834290655 605857998 /nfs/dbraw/zinc/85/79/98/605857998.db2.gz ULMNMLLOHYYQKR-OQLLNIDSSA-N -2 3 364.361 1.841 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000820945795 606409000 /nfs/dbraw/zinc/40/90/00/606409000.db2.gz VVNXTIYIVJWDGU-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000820945795 606409002 /nfs/dbraw/zinc/40/90/02/606409002.db2.gz VVNXTIYIVJWDGU-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822466815 606483708 /nfs/dbraw/zinc/48/37/08/606483708.db2.gz BTMKDZRRKROQGV-UHFFFAOYSA-N -2 3 359.396 1.392 20 0 FDADHL C[C@@H]1CCCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000820708992 606707345 /nfs/dbraw/zinc/70/73/45/606707345.db2.gz BICUGNABQRNKSN-SNVBAGLBSA-N -2 3 368.467 1.207 20 0 FDADHL C[C@@H]1CCCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000820708992 606707348 /nfs/dbraw/zinc/70/73/48/606707348.db2.gz BICUGNABQRNKSN-SNVBAGLBSA-N -2 3 368.467 1.207 20 0 FDADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822211484 606711435 /nfs/dbraw/zinc/71/14/35/606711435.db2.gz ASKMMSHGUSKONY-UHFFFAOYSA-N -2 3 370.398 1.258 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000822418803 606750612 /nfs/dbraw/zinc/75/06/12/606750612.db2.gz GPANXGWNECIOAP-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000822418803 606750614 /nfs/dbraw/zinc/75/06/14/606750614.db2.gz GPANXGWNECIOAP-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000821846620 606751473 /nfs/dbraw/zinc/75/14/73/606751473.db2.gz WDOQKALSNIRXRN-UHFFFAOYSA-N -2 3 374.426 1.742 20 0 FDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000821589433 606751488 /nfs/dbraw/zinc/75/14/88/606751488.db2.gz NDRHTVUCJGBUTJ-UHFFFAOYSA-N -2 3 350.429 1.795 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000822152151 606861092 /nfs/dbraw/zinc/86/10/92/606861092.db2.gz GEHYSZVBMVCCBP-UHFFFAOYSA-N -2 3 367.394 1.919 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000822152151 606861093 /nfs/dbraw/zinc/86/10/93/606861093.db2.gz GEHYSZVBMVCCBP-UHFFFAOYSA-N -2 3 367.394 1.919 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822183680 606864652 /nfs/dbraw/zinc/86/46/52/606864652.db2.gz JLEYWCGEJWSKFD-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822183680 606864653 /nfs/dbraw/zinc/86/46/53/606864653.db2.gz JLEYWCGEJWSKFD-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822491995 606864972 /nfs/dbraw/zinc/86/49/72/606864972.db2.gz MUDRFBVKWAZDRU-UHFFFAOYSA-N -2 3 369.357 1.296 20 0 FDADHL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822491995 606864974 /nfs/dbraw/zinc/86/49/74/606864974.db2.gz MUDRFBVKWAZDRU-UHFFFAOYSA-N -2 3 369.357 1.296 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820684042 607094806 /nfs/dbraw/zinc/09/48/06/607094806.db2.gz LISBTXKIMWGSDL-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820684042 607094808 /nfs/dbraw/zinc/09/48/08/607094808.db2.gz LISBTXKIMWGSDL-NWDGAFQWSA-N -2 3 363.443 1.639 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC000821027153 607097302 /nfs/dbraw/zinc/09/73/02/607097302.db2.gz KVOZASXWZNLWIN-UHFFFAOYSA-N -2 3 363.443 1.950 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC000821027153 607097304 /nfs/dbraw/zinc/09/73/04/607097304.db2.gz KVOZASXWZNLWIN-UHFFFAOYSA-N -2 3 363.443 1.950 20 0 FDADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(F)(F)F ZINC000820033822 607099634 /nfs/dbraw/zinc/09/96/34/607099634.db2.gz YFTVLFKZSKXPQJ-LLVKDONJSA-N -2 3 359.308 1.880 20 0 FDADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(F)(F)F ZINC000820033822 607099635 /nfs/dbraw/zinc/09/96/35/607099635.db2.gz YFTVLFKZSKXPQJ-LLVKDONJSA-N -2 3 359.308 1.880 20 0 FDADHL O=C([N-]OCC(F)(F)F)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823284803 607100905 /nfs/dbraw/zinc/10/09/05/607100905.db2.gz KEWZURMSOMVPKU-NSHDSACASA-N -2 3 356.308 1.446 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820543459 607107972 /nfs/dbraw/zinc/10/79/72/607107972.db2.gz YUDBDPZJSQPXPX-NSHDSACASA-N -2 3 367.365 1.900 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820543459 607107973 /nfs/dbraw/zinc/10/79/73/607107973.db2.gz YUDBDPZJSQPXPX-NSHDSACASA-N -2 3 367.365 1.900 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C1CC1)C1CC1 ZINC000826449620 607806778 /nfs/dbraw/zinc/80/67/78/607806778.db2.gz BJWAWRCQYZCFRQ-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C1CC1)C1CC1 ZINC000826449620 607806779 /nfs/dbraw/zinc/80/67/79/607806779.db2.gz BJWAWRCQYZCFRQ-UHFFFAOYSA-N -2 3 361.427 1.249 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000826364799 608107938 /nfs/dbraw/zinc/10/79/38/608107938.db2.gz LLEVBWUTBHWQDL-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000826364799 608107939 /nfs/dbraw/zinc/10/79/39/608107939.db2.gz LLEVBWUTBHWQDL-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231946 608140977 /nfs/dbraw/zinc/14/09/77/608140977.db2.gz SVCGOHPCFSYIQW-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231946 608140978 /nfs/dbraw/zinc/14/09/78/608140978.db2.gz SVCGOHPCFSYIQW-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826225541 608331560 /nfs/dbraw/zinc/33/15/60/608331560.db2.gz DWACQZLVOASFLK-JTQLQIEISA-N -2 3 369.472 1.512 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826225541 608331562 /nfs/dbraw/zinc/33/15/62/608331562.db2.gz DWACQZLVOASFLK-JTQLQIEISA-N -2 3 369.472 1.512 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000826493060 608395520 /nfs/dbraw/zinc/39/55/20/608395520.db2.gz QSFRZFZSSOISBU-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000826493060 608395522 /nfs/dbraw/zinc/39/55/22/608395522.db2.gz QSFRZFZSSOISBU-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826146663 608425170 /nfs/dbraw/zinc/42/51/70/608425170.db2.gz ZIAINATZCQVBCM-UFBFGSQYSA-N -2 3 373.385 1.238 20 0 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367.114 1.448 20 0 FDADHL CCOc1ncccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736656875 924865392 /nfs/dbraw/zinc/86/53/92/924865392.db2.gz NKZRJZNPXKWLRR-UHFFFAOYSA-N -2 3 360.399 1.770 20 0 FDADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000743317820 926320851 /nfs/dbraw/zinc/32/08/51/926320851.db2.gz ZGSWONMZGXSQHJ-HNNXBMFYSA-N -2 3 361.365 1.610 20 0 FDADHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000743317820 926320861 /nfs/dbraw/zinc/32/08/61/926320861.db2.gz ZGSWONMZGXSQHJ-HNNXBMFYSA-N -2 3 361.365 1.610 20 0 FDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cn1c(=O)c3ccccc3[n-]c1=S)C2 ZINC001168931857 928186873 /nfs/dbraw/zinc/18/68/73/928186873.db2.gz RWVNFPMPGRKJPD-UHFFFAOYSA-N -2 3 369.406 1.032 20 0 FDADHL O=C([O-])COc1ccc(CCNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000767211466 929158985 /nfs/dbraw/zinc/15/89/85/929158985.db2.gz DVVIIJBOEDEDMM-UHFFFAOYSA-N -2 3 367.361 1.771 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000788438782 932693547 /nfs/dbraw/zinc/69/35/47/932693547.db2.gz CTRRCILUFHXLOR-QMMMGPOBSA-N -2 3 369.848 1.884 20 0 FDADHL O=C(NCCNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccc([O-])cc1 ZINC000816887707 942370097 /nfs/dbraw/zinc/37/00/97/942370097.db2.gz MBISKVJSIYGKBM-UHFFFAOYSA-N -2 3 357.391 1.982 20 0 FDADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000819090167 943416053 /nfs/dbraw/zinc/41/60/53/943416053.db2.gz SHNZESRJPSYFKS-OIBJUYFYSA-N -2 3 361.807 1.900 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cc1F ZINC000821248927 944396328 /nfs/dbraw/zinc/39/63/28/944396328.db2.gz MQDKGIHHJKLPNO-AAEUAGOBSA-N -2 3 365.398 1.802 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1F ZINC000821248931 944396505 /nfs/dbraw/zinc/39/65/05/944396505.db2.gz MQDKGIHHJKLPNO-YPMHNXCESA-N -2 3 365.398 1.802 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000824730574 946917315 /nfs/dbraw/zinc/91/73/15/946917315.db2.gz OXYLHVDGVAODCT-LBPRGKRZSA-N -2 3 373.413 1.928 20 0 FDADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824897453 946977392 /nfs/dbraw/zinc/97/73/92/946977392.db2.gz AKRZQLPCUHJRFA-IUCAKERBSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824897453 946977403 /nfs/dbraw/zinc/97/74/03/946977403.db2.gz AKRZQLPCUHJRFA-IUCAKERBSA-N -2 3 369.834 1.761 20 0 FDADHL O=C([O-])c1cnc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC001595267541 949769111 /nfs/dbraw/zinc/76/91/11/949769111.db2.gz BCZAIIQUZWSLAB-UHFFFAOYSA-N -2 3 352.144 1.573 20 0 FDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCCC(=O)[O-])c2)n[n-]1 ZINC001591278992 951110623 /nfs/dbraw/zinc/11/06/23/951110623.db2.gz DFSXWDWJOVWWAP-UHFFFAOYSA-N -2 3 374.397 1.910 20 0 FDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCCC(=O)[O-])c2)[n-]1 ZINC001591278992 951110630 /nfs/dbraw/zinc/11/06/30/951110630.db2.gz DFSXWDWJOVWWAP-UHFFFAOYSA-N -2 3 374.397 1.910 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001571020194 951380487 /nfs/dbraw/zinc/38/04/87/951380487.db2.gz DGUFTQWSYPCIFS-UHFFFAOYSA-N -2 3 366.353 1.327 20 0 FDADHL C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)c1ncccc1[O-] ZINC001575136934 952131516 /nfs/dbraw/zinc/13/15/16/952131516.db2.gz SAEOUUPXPPGLSY-SNVBAGLBSA-N -2 3 371.376 1.679 20 0 FDADHL C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)c1ncccc1[O-] ZINC001575136934 952131521 /nfs/dbraw/zinc/13/15/21/952131521.db2.gz SAEOUUPXPPGLSY-SNVBAGLBSA-N -2 3 371.376 1.679 20 0 FDADHL COc1cnc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)[n-]c1=O ZINC001571078979 952136184 /nfs/dbraw/zinc/13/61/84/952136184.db2.gz ZOLAIJMNHKBHMP-JTQLQIEISA-N -2 3 371.357 1.250 20 0 FDADHL COc1cnc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)[n-]c1=O ZINC001571078979 952136185 /nfs/dbraw/zinc/13/61/85/952136185.db2.gz ZOLAIJMNHKBHMP-JTQLQIEISA-N -2 3 371.357 1.250 20 0 FDADHL O=C([O-])C1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC001594751425 953441072 /nfs/dbraw/zinc/44/10/72/953441072.db2.gz FVCUWJILHIBSDD-LLVKDONJSA-N -2 3 364.364 1.939 20 0 FDADHL O=C([O-])/C=C\c1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)co1 ZINC001594966185 955058906 /nfs/dbraw/zinc/05/89/06/955058906.db2.gz LGHLBHQLNNHMBM-WAYWQWQTSA-N -2 3 370.361 1.681 20 0 FDADHL CC[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000844157851 955648856 /nfs/dbraw/zinc/64/88/56/955648856.db2.gz HTMOSPYTULTKDY-SECBINFHSA-N -2 3 358.391 1.107 20 0 FDADHL O=C([O-])c1ccccc1CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000901837060 956495949 /nfs/dbraw/zinc/49/59/49/956495949.db2.gz WUIPEFKCSTWEIJ-UHFFFAOYSA-N -2 3 368.389 1.618 20 0 FDADHL COCOc1ccc(F)c(C(=O)NCCCCP(=O)([O-])[O-])c1F ZINC001197454475 972266025 /nfs/dbraw/zinc/26/60/25/972266025.db2.gz MHUBZXYFIPCKFD-UHFFFAOYSA-N -2 3 353.258 1.635 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(Br)o1 ZINC000055329891 957545369 /nfs/dbraw/zinc/54/53/69/957545369.db2.gz SMJFSZISVHLGJV-BQBZGAKWSA-N -2 3 368.205 1.322 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001588520677 958836907 /nfs/dbraw/zinc/83/69/07/958836907.db2.gz YBNMCWVHEKOZPS-NOBQPIJMSA-N -2 3 362.382 1.493 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)c(F)cc1Cl ZINC001259221498 960681884 /nfs/dbraw/zinc/68/18/84/960681884.db2.gz JUUCZGWEUONOJY-JTQLQIEISA-N -2 3 364.782 1.124 20 0 FDADHL Cc1ccc(Cc2nc(C(=O)[N-]c3ncn(CC(=O)[O-])n3)cs2)cc1 ZINC001574368462 961057889 /nfs/dbraw/zinc/05/78/89/961057889.db2.gz ZAUUGUWOEVMQNO-UHFFFAOYSA-N -2 3 357.395 1.971 20 0 FDADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC001588727354 961078510 /nfs/dbraw/zinc/07/85/10/961078510.db2.gz LHUWXPVNKBGICF-MRVPVSSYSA-N -2 3 357.388 1.416 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc1Cl ZINC001574456482 961513743 /nfs/dbraw/zinc/51/37/43/961513743.db2.gz LNIFHQIBTQWMMV-MNOVXSKESA-N -2 3 355.803 1.665 20 0 FDADHL COC(=O)c1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c([O-])c(OC)c1 ZINC001574083432 962308201 /nfs/dbraw/zinc/30/82/01/962308201.db2.gz PIKLWWQBVMPMQU-MNOVXSKESA-N -2 3 367.354 1.396 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])s1 ZINC001573407011 963147182 /nfs/dbraw/zinc/14/71/82/963147182.db2.gz JPQSYVGVTMCRPY-JGVFFNPUSA-N -2 3 361.445 1.269 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1[O-] ZINC001183659315 963233688 /nfs/dbraw/zinc/23/36/88/963233688.db2.gz UYWVZYAMMWTVSV-UHFFFAOYSA-N -2 3 361.326 1.192 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CO)c(C)c2)cc1C(=O)[O-] ZINC001185310249 963907699 /nfs/dbraw/zinc/90/76/99/963907699.db2.gz DFTXZQPAONEHGN-UHFFFAOYSA-N -2 3 351.380 1.995 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(CO)c1 ZINC001185311916 963907869 /nfs/dbraw/zinc/90/78/69/963907869.db2.gz BLIIIGVRHGAQOF-UHFFFAOYSA-N -2 3 367.379 1.695 20 0 FDADHL O=S(=O)([N-]c1ncnc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566363 963979511 /nfs/dbraw/zinc/97/95/11/963979511.db2.gz NDJPYSAESUQVHU-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL O=S(=O)([N-]c1ncnc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566363 963979513 /nfs/dbraw/zinc/97/95/13/963979513.db2.gz NDJPYSAESUQVHU-UHFFFAOYSA-N -2 3 359.396 1.672 20 0 FDADHL Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566974 963980728 /nfs/dbraw/zinc/98/07/28/963980728.db2.gz VBHXNBVOPLXKAR-UHFFFAOYSA-N -2 3 361.431 1.699 20 0 FDADHL Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566974 963980736 /nfs/dbraw/zinc/98/07/36/963980736.db2.gz VBHXNBVOPLXKAR-UHFFFAOYSA-N -2 3 361.431 1.699 20 0 FDADHL COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185572738 963984448 /nfs/dbraw/zinc/98/44/48/963984448.db2.gz GUWVXHFZEJWMKG-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572738 963984452 /nfs/dbraw/zinc/98/44/52/963984452.db2.gz GUWVXHFZEJWMKG-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185604884 964002064 /nfs/dbraw/zinc/00/20/64/964002064.db2.gz QLYXQJTXXCHDQV-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)N2 ZINC001185920698 964219910 /nfs/dbraw/zinc/21/99/10/964219910.db2.gz RQIVUGIVPGZQES-OAHLLOKOSA-N -2 3 360.391 1.973 20 0 FDADHL O=C(Nc1ncc(Br)[n-]c1=O)c1cc(F)c(F)c([O-])c1F ZINC001186797620 964757826 /nfs/dbraw/zinc/75/78/26/964757826.db2.gz DRXCQHVPULTROA-UHFFFAOYSA-N -2 3 364.077 1.908 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180340276 965230636 /nfs/dbraw/zinc/23/06/36/965230636.db2.gz ILIBPKAVDUVABD-CQSZACIVSA-N -2 3 370.342 1.724 20 0 FDADHL CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1 ZINC001187474566 965405610 /nfs/dbraw/zinc/40/56/10/965405610.db2.gz MOAGNFBLRRMQSU-UHFFFAOYSA-N -2 3 365.344 1.094 20 0 FDADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CC(O)(C(F)(F)F)C2)c1 ZINC001187595512 965515253 /nfs/dbraw/zinc/51/52/53/965515253.db2.gz HRQBXJCELUEQCK-UHFFFAOYSA-N -2 3 373.736 1.772 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)nc1Cl ZINC000776572555 967109170 /nfs/dbraw/zinc/10/91/70/967109170.db2.gz HKDNSOHBJXRGBX-NSHDSACASA-N -2 3 357.819 1.610 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000776574561 967131209 /nfs/dbraw/zinc/13/12/09/967131209.db2.gz SDWUMMSAIXMXAM-IUCAKERBSA-N -2 3 351.856 1.940 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H](O)c1ccccc1 ZINC000776594912 967287542 /nfs/dbraw/zinc/28/75/42/967287542.db2.gz DNCAGEFMCCCLNL-LSDHHAIUSA-N -2 3 371.361 1.571 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c1 ZINC000853024925 967779810 /nfs/dbraw/zinc/77/98/10/967779810.db2.gz KTYJSLWLDWEZIV-LBPRGKRZSA-N -2 3 373.402 1.782 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC001194162261 970029119 /nfs/dbraw/zinc/02/91/19/970029119.db2.gz XDNBQMFWZTUEHN-UHFFFAOYSA-N -2 3 358.722 1.608 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c(C)o1 ZINC001604249134 972775929 /nfs/dbraw/zinc/77/59/29/972775929.db2.gz RULPSLXHPGYHCV-AWEZNQCLSA-N -2 3 366.395 1.360 20 0 FDADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001606160206 973412954 /nfs/dbraw/zinc/41/29/54/973412954.db2.gz XAARXQQBSSVQMA-UHFFFAOYSA-N -2 3 351.222 1.767 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(OCC(F)(F)F)ccn1 ZINC001199026931 973830453 /nfs/dbraw/zinc/83/04/53/973830453.db2.gz DAVKXVKPIMBCAK-UHFFFAOYSA-N -2 3 356.237 1.710 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)(F)F ZINC000794767712 973833204 /nfs/dbraw/zinc/83/32/04/973833204.db2.gz PMMINQVLUJCPTD-LURJTMIESA-N -2 3 353.278 1.154 20 0 FDADHL CCn1c(C)cc2[n-]nc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2c1=O ZINC001604003320 974508947 /nfs/dbraw/zinc/50/89/47/974508947.db2.gz XRFPCTSTCCMUGO-UHFFFAOYSA-N -2 3 370.365 1.769 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1 ZINC000848675925 976991336 /nfs/dbraw/zinc/99/13/36/976991336.db2.gz LHJCGQKPKOSSQB-JTQLQIEISA-N -2 3 361.391 1.842 20 0 FDADHL CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])CC2 ZINC001592164082 977061364 /nfs/dbraw/zinc/06/13/64/977061364.db2.gz WWOSNJZILUVKMP-SNVBAGLBSA-N -2 3 370.456 1.455 20 0 FDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001592418525 978025348 /nfs/dbraw/zinc/02/53/48/978025348.db2.gz RFQCYDJRCKYEAF-SCSAIBSYSA-N -3 3 372.218 1.350 20 0 FDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000776452334 978041215 /nfs/dbraw/zinc/04/12/15/978041215.db2.gz XDVYKJSFHZYCCB-JTQLQIEISA-N -2 3 373.412 1.061 20 0 FDADHL C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592458877 978174983 /nfs/dbraw/zinc/17/49/83/978174983.db2.gz HACMJVOHZCUPSY-GXSJLCMTSA-N -2 3 356.425 1.632 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Oc1ccc(F)cc1 ZINC000776623326 978761315 /nfs/dbraw/zinc/76/13/15/978761315.db2.gz OUGGXCQCWVKJNQ-NSHDSACASA-N -2 3 374.777 1.685 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)(C(=O)[O-])c1ccccc1 ZINC001592716376 979216762 /nfs/dbraw/zinc/21/67/62/979216762.db2.gz SOLMIOVUSSRDLG-HNNXBMFYSA-N -3 3 353.352 1.299 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])N(C)c1ccccc1 ZINC001592722951 979228322 /nfs/dbraw/zinc/22/83/22/979228322.db2.gz RSDKJJJDJGTKNL-SNVBAGLBSA-N -2 3 355.441 1.645 20 0 FDADHL C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001592755520 979332615 /nfs/dbraw/zinc/33/26/15/979332615.db2.gz JIUYRIAQLHVYRT-NTSWFWBYSA-N -2 3 372.262 1.504 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1N(C)C ZINC000826242989 980339186 /nfs/dbraw/zinc/33/91/86/980339186.db2.gz PAUZTPFAVBTPAX-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1N(C)C ZINC000826242989 980339191 /nfs/dbraw/zinc/33/91/91/980339191.db2.gz PAUZTPFAVBTPAX-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](O)c1ccccc1F ZINC001595317573 980494822 /nfs/dbraw/zinc/49/48/22/980494822.db2.gz ZVEPOIXXAVBDOW-GWCFXTLKSA-N 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20 0 FDADHL CC[C@]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000828988723 600741915 /nfs/dbraw/zinc/74/19/15/600741915.db2.gz BGLMHTAMHCTOSC-MRXNPFEDSA-N -2 3 366.395 1.470 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000828185594 600778757 /nfs/dbraw/zinc/77/87/57/600778757.db2.gz ZBWOFSRVGGIGCW-ZYHUDNBSSA-N -2 3 364.379 1.450 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000467308367 600831351 /nfs/dbraw/zinc/83/13/51/600831351.db2.gz KESXOSUITHFOHS-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000327953454 600887461 /nfs/dbraw/zinc/88/74/61/600887461.db2.gz SYFARJKDPGEVQJ-UHFFFAOYSA-N -2 3 362.407 1.783 20 0 FDADHL CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000263489924 600993064 /nfs/dbraw/zinc/99/30/64/600993064.db2.gz OGEUMRHRYFRLPO-UHFFFAOYSA-N -2 3 359.795 1.005 20 0 FDADHL CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000263489924 600993066 /nfs/dbraw/zinc/99/30/66/600993066.db2.gz OGEUMRHRYFRLPO-UHFFFAOYSA-N -2 3 359.795 1.005 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cnc2n1 ZINC000832961845 601122369 /nfs/dbraw/zinc/12/23/69/601122369.db2.gz LWDUCFWQVDKGPH-GFCCVEGCSA-N -2 3 358.398 1.265 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1C(=O)[O-] ZINC000832468733 601202016 /nfs/dbraw/zinc/20/20/16/601202016.db2.gz NWYGEQYDAVKNRM-UHFFFAOYSA-N -2 3 365.411 1.651 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831077947 601387789 /nfs/dbraw/zinc/38/77/89/601387789.db2.gz FVJUSFAILZAJAG-LBPRGKRZSA-N -2 3 372.786 1.559 20 0 FDADHL O=C([O-])C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000833197639 601543430 /nfs/dbraw/zinc/54/34/30/601543430.db2.gz LHTDGWZRUVQWSQ-QMMMGPOBSA-N -2 3 366.848 1.049 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC000831029035 601623990 /nfs/dbraw/zinc/62/39/90/601623990.db2.gz FXUJFYIQMCBPOS-UHFFFAOYSA-N -2 3 352.343 1.684 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])ccc1F ZINC000831029521 601686712 /nfs/dbraw/zinc/68/67/12/601686712.db2.gz UAFDBWAYPYHTAZ-UHFFFAOYSA-N -2 3 355.347 1.321 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000827553878 601785770 /nfs/dbraw/zinc/78/57/70/601785770.db2.gz RDNNULCDVBDFQC-CMPLNLGQSA-N -2 3 368.415 1.469 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1-c1nnn[n-]1 ZINC000826303771 607532652 /nfs/dbraw/zinc/53/26/52/607532652.db2.gz DPQTVFVWIXFFRC-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1-c1nn[n-]n1 ZINC000826303771 607532653 /nfs/dbraw/zinc/53/26/53/607532653.db2.gz DPQTVFVWIXFFRC-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c1F ZINC000833294404 602176177 /nfs/dbraw/zinc/17/61/77/602176177.db2.gz BYJVUAOKKYTLBW-JMJZKYOTSA-N -2 3 361.366 1.899 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC(C)(C)CNC(=O)[O-] ZINC000740209180 602303565 /nfs/dbraw/zinc/30/35/65/602303565.db2.gz SNSFBEDZMOCKIL-UHFFFAOYSA-N -2 3 373.413 1.235 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000831029355 602357600 /nfs/dbraw/zinc/35/76/00/602357600.db2.gz POQLPWQKUQFHBD-UHFFFAOYSA-N -2 3 370.333 1.823 20 0 FDADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000740535631 602470107 /nfs/dbraw/zinc/47/01/07/602470107.db2.gz NUPUNCNDEVSDKL-AWEZNQCLSA-N -2 3 352.354 1.684 20 0 FDADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000740445927 602501002 /nfs/dbraw/zinc/50/10/02/602501002.db2.gz ZCGIMTRWQGDKOQ-ZNMIVQPWSA-N -2 3 370.413 1.794 20 0 FDADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000740445927 602501005 /nfs/dbraw/zinc/50/10/05/602501005.db2.gz ZCGIMTRWQGDKOQ-ZNMIVQPWSA-N -2 3 370.413 1.794 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000740208549 602526603 /nfs/dbraw/zinc/52/66/03/602526603.db2.gz RGOPWFZNEFGWIF-LLVKDONJSA-N -2 3 373.413 1.187 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C2CC2)s1 ZINC000739793625 602709106 /nfs/dbraw/zinc/70/91/06/602709106.db2.gz WWWYOGARLPDVBL-CYBMUJFWSA-N -2 3 362.429 1.249 20 0 FDADHL CC(C)CN1CCO[C@H](CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000738824129 602840974 /nfs/dbraw/zinc/84/09/74/602840974.db2.gz INOQKKFOBRJZDP-CYBMUJFWSA-N -2 3 351.403 1.569 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H]2CCCN2C(=O)[O-])ccc1F ZINC000740003215 602928198 /nfs/dbraw/zinc/92/81/98/602928198.db2.gz XEXNGEOWHASCGV-JTQLQIEISA-N -2 3 360.363 1.496 20 0 FDADHL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000832254659 603474439 /nfs/dbraw/zinc/47/44/39/603474439.db2.gz LQXHYNGIQGNGRZ-QWHCGFSZSA-N -2 3 361.398 1.113 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000826151567 607659142 /nfs/dbraw/zinc/65/91/42/607659142.db2.gz DQPDEYBPPXYSTH-SNVBAGLBSA-N -2 3 367.362 1.265 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])n1 ZINC000828700555 603986601 /nfs/dbraw/zinc/98/66/01/603986601.db2.gz XCPQSNVSETVUKW-VHSXEESVSA-N -2 3 353.379 1.065 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])n[n-]1 ZINC000828700555 603986603 /nfs/dbraw/zinc/98/66/03/603986603.db2.gz XCPQSNVSETVUKW-VHSXEESVSA-N -2 3 353.379 1.065 20 0 FDADHL O=S(=O)([N-]Cc1cccc(F)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492053 607697812 /nfs/dbraw/zinc/69/78/12/607697812.db2.gz QABSIZPCUTZNTD-UHFFFAOYSA-N -2 3 370.316 1.158 20 0 FDADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833715497 604686370 /nfs/dbraw/zinc/68/63/70/604686370.db2.gz AJGRKDDQGLLFKT-UHFFFAOYSA-N -2 3 354.315 1.506 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000764914216 605012615 /nfs/dbraw/zinc/01/26/15/605012615.db2.gz BINUVYBAQSOENM-SSDOTTSWSA-N -2 3 350.780 1.053 20 0 FDADHL C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833635653 605198137 /nfs/dbraw/zinc/19/81/37/605198137.db2.gz YSUCLQDHPCTSFF-NSHDSACASA-N -2 3 350.396 1.707 20 0 FDADHL CC(C)(C)c1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2 ZINC000833449387 605201725 /nfs/dbraw/zinc/20/17/25/605201725.db2.gz KKBQZFBCHQJDBA-LLVKDONJSA-N -2 3 367.427 1.765 20 0 FDADHL O=C([O-])N1CC(OCCC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000833993950 605316402 /nfs/dbraw/zinc/31/64/02/605316402.db2.gz VJUTUAFYTSSBGQ-UHFFFAOYSA-N -2 3 359.176 1.862 20 0 FDADHL O=C([O-])N1CC[C@@](F)(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831900815 605415375 /nfs/dbraw/zinc/41/53/75/605415375.db2.gz BGEJLOKNZZYXKZ-ZDUSSCGKSA-N -2 3 361.167 1.863 20 0 FDADHL O=C([O-])Nc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000834259516 605530323 /nfs/dbraw/zinc/53/03/23/605530323.db2.gz BUKBWCJUDDMVKK-UHFFFAOYSA-N -2 3 356.382 1.835 20 0 FDADHL O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000740692106 605681382 /nfs/dbraw/zinc/68/13/82/605681382.db2.gz TXAADJXLXHEJJW-MRXNPFEDSA-N -2 3 371.393 1.117 20 0 FDADHL C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000833827528 606040738 /nfs/dbraw/zinc/04/07/38/606040738.db2.gz XROBQNRVKYTJMK-CXAGYDPISA-N -2 3 358.402 1.699 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000822222631 606156711 /nfs/dbraw/zinc/15/67/11/606156711.db2.gz OLCSQELQBVZNDF-LBPRGKRZSA-N -2 3 361.427 1.560 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000822222631 606156713 /nfs/dbraw/zinc/15/67/13/606156713.db2.gz OLCSQELQBVZNDF-LBPRGKRZSA-N -2 3 361.427 1.560 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cs1 ZINC000823387281 606212562 /nfs/dbraw/zinc/21/25/62/606212562.db2.gz HLPISJCDILFJRC-UHFFFAOYSA-N -3 3 367.368 1.133 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823387162 606381751 /nfs/dbraw/zinc/38/17/51/606381751.db2.gz FBEWQQNKUITZMT-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823387162 606381752 /nfs/dbraw/zinc/38/17/52/606381752.db2.gz FBEWQQNKUITZMT-UHFFFAOYSA-N -2 3 373.394 1.086 20 0 FDADHL O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285064 606465524 /nfs/dbraw/zinc/46/55/24/606465524.db2.gz MSLLQEREPMGBOS-UHFFFAOYSA-N -2 3 355.445 1.568 20 0 FDADHL O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285064 606465527 /nfs/dbraw/zinc/46/55/27/606465527.db2.gz MSLLQEREPMGBOS-UHFFFAOYSA-N -2 3 355.445 1.568 20 0 FDADHL O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ncccc1[O-] ZINC000823154490 606595120 /nfs/dbraw/zinc/59/51/20/606595120.db2.gz CQPXKIPRBXNOKD-UHFFFAOYSA-N -2 3 365.397 1.366 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820674559 606626390 /nfs/dbraw/zinc/62/63/90/606626390.db2.gz FGVPOTPSKRYELZ-VSXLWIIGSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820674559 606626392 /nfs/dbraw/zinc/62/63/92/606626392.db2.gz FGVPOTPSKRYELZ-VSXLWIIGSA-N -2 3 361.427 1.559 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821873822 606864033 /nfs/dbraw/zinc/86/40/33/606864033.db2.gz YPOPOPZYPGIYKQ-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821873822 606864034 /nfs/dbraw/zinc/86/40/34/606864034.db2.gz YPOPOPZYPGIYKQ-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL O=S(=O)([N-]C[C@H]1CC=CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573629 606889158 /nfs/dbraw/zinc/88/91/58/606889158.db2.gz YBPCWLWMBRHXAD-VIFPVBQESA-N -2 3 355.370 1.780 20 0 FDADHL CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000820893173 607097069 /nfs/dbraw/zinc/09/70/69/607097069.db2.gz LQVLGEVFLPBYIK-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000820893173 607097070 /nfs/dbraw/zinc/09/70/70/607097070.db2.gz LQVLGEVFLPBYIK-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000820543015 607108487 /nfs/dbraw/zinc/10/84/87/607108487.db2.gz SRUKAFVNAOCZNZ-LBPRGKRZSA-N -2 3 373.413 1.928 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000820543015 607108488 /nfs/dbraw/zinc/10/84/88/607108488.db2.gz SRUKAFVNAOCZNZ-LBPRGKRZSA-N -2 3 373.413 1.928 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000826255833 608010541 /nfs/dbraw/zinc/01/05/41/608010541.db2.gz LXZXCZYGPHYOLF-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000826255833 608010542 /nfs/dbraw/zinc/01/05/42/608010542.db2.gz LXZXCZYGPHYOLF-UHFFFAOYSA-N -2 3 367.431 1.489 20 0 FDADHL COc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826221346 608017072 /nfs/dbraw/zinc/01/70/72/608017072.db2.gz ALJNDAKYHDTOCK-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824333435 608304693 /nfs/dbraw/zinc/30/46/93/608304693.db2.gz JRPVNDXHCQEVFA-UHFFFAOYSA-N -2 3 360.399 1.850 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000825643434 609382604 /nfs/dbraw/zinc/38/26/04/609382604.db2.gz NWUIQUBKAZKNTH-UHFFFAOYSA-N -2 3 364.362 1.600 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000825643434 609382606 /nfs/dbraw/zinc/38/26/06/609382606.db2.gz NWUIQUBKAZKNTH-UHFFFAOYSA-N -2 3 364.362 1.600 20 0 FDADHL O=C1CCOc2c([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cccc21 ZINC000826480507 609531483 /nfs/dbraw/zinc/53/14/83/609531483.db2.gz FEZWVWAEOKQTCW-UHFFFAOYSA-N -2 3 371.378 1.633 20 0 FDADHL O=C1CCOc2c([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cccc21 ZINC000826480507 609531484 /nfs/dbraw/zinc/53/14/84/609531484.db2.gz FEZWVWAEOKQTCW-UHFFFAOYSA-N -2 3 371.378 1.633 20 0 FDADHL CCC(C)=C(C)C(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825052760 609584159 /nfs/dbraw/zinc/58/41/59/609584159.db2.gz YMWSHCZNTFEDNO-KHPPLWFESA-N -2 3 352.402 1.863 20 0 FDADHL CCC(C)=C(C)C(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825052760 609584161 /nfs/dbraw/zinc/58/41/61/609584161.db2.gz YMWSHCZNTFEDNO-KHPPLWFESA-N -2 3 352.402 1.863 20 0 FDADHL CO[C@H](C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000277195736 674881770 /nfs/dbraw/zinc/88/17/70/674881770.db2.gz XINFHVXGWOKKNE-RXMQYKEDSA-N -2 3 358.235 1.522 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000278236546 675109578 /nfs/dbraw/zinc/10/95/78/675109578.db2.gz VSBUTXOWVKRKPT-JTQLQIEISA-N -2 3 351.327 1.040 20 0 FDADHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000055558653 671236405 /nfs/dbraw/zinc/23/64/05/671236405.db2.gz HHFBGUPPYOMMNJ-UHFFFAOYSA-N -2 3 369.330 1.366 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000058707336 671281326 /nfs/dbraw/zinc/28/13/26/671281326.db2.gz LYUYCBWHQHFEOB-UHFFFAOYSA-N -2 3 356.791 1.172 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Br)o1 ZINC000149627119 671855358 /nfs/dbraw/zinc/85/53/58/671855358.db2.gz GRRULMIOVPAQEA-ZCFIWIBFSA-N -2 3 370.246 1.914 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262091036 672724336 /nfs/dbraw/zinc/72/43/36/672724336.db2.gz HBILSAZVVJQMEP-VIFPVBQESA-N -2 3 367.383 1.295 20 0 FDADHL C[C@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nnn[n-]1 ZINC000279805789 675349710 /nfs/dbraw/zinc/34/97/10/675349710.db2.gz TUZKJJWRWBRZLP-SECBINFHSA-N -2 3 361.793 1.620 20 0 FDADHL C[C@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nn[n-]n1 ZINC000279805789 675349713 /nfs/dbraw/zinc/34/97/13/675349713.db2.gz TUZKJJWRWBRZLP-SECBINFHSA-N -2 3 361.793 1.620 20 0 FDADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281955176 675578891 /nfs/dbraw/zinc/57/88/91/675578891.db2.gz SNIHHLDEBMSQTH-UHFFFAOYSA-N -2 3 354.197 1.977 20 0 FDADHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000327708625 676594803 /nfs/dbraw/zinc/59/48/03/676594803.db2.gz QFKDXDDCUGABQE-UHFFFAOYSA-N -2 3 362.407 1.783 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)COC1 ZINC000375698929 678156753 /nfs/dbraw/zinc/15/67/53/678156753.db2.gz VRMILHZBZNNQDM-UHFFFAOYSA-N -2 3 370.608 1.234 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)COC1 ZINC000377086414 678449137 /nfs/dbraw/zinc/44/91/37/678449137.db2.gz LDFUGVWOSOUVCW-UHFFFAOYSA-N -2 3 370.608 1.234 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000424367730 680836994 /nfs/dbraw/zinc/83/69/94/680836994.db2.gz NOKPMRLRWUFUJA-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436938877 681745549 /nfs/dbraw/zinc/74/55/49/681745549.db2.gz LBBZOVZAFNLGLY-UHFFFAOYSA-N -3 3 365.363 1.659 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1C ZINC000439572802 681935790 /nfs/dbraw/zinc/93/57/90/681935790.db2.gz QPGOGHQULOHRMY-UHFFFAOYSA-N -3 3 354.340 1.016 20 0 FDADHL CCOc1cc(C(=O)[N-]c2cc(S(=O)(=O)NC3CC3)ccc2[O-])on1 ZINC000449926891 682722571 /nfs/dbraw/zinc/72/25/71/682722571.db2.gz VFGZGRKNJLCRDG-UHFFFAOYSA-N -2 3 367.383 1.472 20 0 FDADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504246698 688422661 /nfs/dbraw/zinc/42/26/61/688422661.db2.gz LLBZUSBUUZXCBA-UHFFFAOYSA-N -4 3 355.299 1.729 20 0 FDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000525958369 694640377 /nfs/dbraw/zinc/64/03/77/694640377.db2.gz PZDNUWPMNGEILU-UHFFFAOYSA-N -2 3 361.173 1.614 20 0 FDADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-])C1CC1 ZINC000656166370 773965458 /nfs/dbraw/zinc/96/54/58/773965458.db2.gz GCYDZJUQNUPVFA-QWHCGFSZSA-N -2 3 363.382 1.820 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000663140210 805677500 /nfs/dbraw/zinc/67/75/00/805677500.db2.gz BOBPYFZQLLXEBF-HXUWFJFHSA-N -2 3 370.405 1.937 20 0 FDADHL O=C([N-][C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C(F)(F)F)C(F)F ZINC001008691500 800344292 /nfs/dbraw/zinc/34/42/92/800344292.db2.gz NZKKBTOJKZIIAW-RNFRBKRXSA-N -2 3 353.247 1.171 20 0 FDADHL Cc1cnc(C(=O)NCC2(NC(=O)c3ncc(C)cc3[O-])CC2)c([O-])c1 ZINC000446604067 828514889 /nfs/dbraw/zinc/51/48/89/828514889.db2.gz ZJXLLDKVFVOMQA-UHFFFAOYSA-N -2 3 356.382 1.197 20 0 FDADHL O=C([O-])[C@H](NC(=O)c1cc([O-])cc(Br)c1)[C@H]1CCCOC1 ZINC000909540205 825376836 /nfs/dbraw/zinc/37/68/36/825376836.db2.gz ULASIYGBOPTAOK-QPUJVOFHSA-N -2 3 358.188 1.764 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000906851278 853405763 /nfs/dbraw/zinc/40/57/63/853405763.db2.gz GGCBPCAVEJXICX-AWEZNQCLSA-N -2 3 368.455 1.729 20 0 FDADHL CO[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000909982005 856742415 /nfs/dbraw/zinc/74/24/15/856742415.db2.gz CKLAIBIZPVZCJQ-RYUDHWBXSA-N -2 3 358.188 1.859 20 0 FDADHL CO[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910263064 857045748 /nfs/dbraw/zinc/04/57/48/857045748.db2.gz GGOFPLGRCRJQHG-SMDDNHRTSA-N -2 3 358.188 1.859 20 0 FDADHL COC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761306093 864933786 /nfs/dbraw/zinc/93/37/86/864933786.db2.gz XSFARDPWPSZAFR-UHFFFAOYSA-N -2 3 372.262 1.912 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(F)cc3F)nc2n1 ZINC000675100228 884252880 /nfs/dbraw/zinc/25/28/80/884252880.db2.gz QCNGZUZPHHGMTC-UHFFFAOYSA-N -2 3 355.326 1.059 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]CCc2c(F)cc([O-])cc2F)nc1Cl ZINC000921965228 893579455 /nfs/dbraw/zinc/57/94/55/893579455.db2.gz MEIYWQTXKRLYAB-UHFFFAOYSA-N -2 3 351.762 1.578 20 0 FDADHL O=S(=O)([N-]CCc1c(F)cc([O-])cc1F)c1c[nH]nc1C(F)(F)F ZINC000921965239 893579655 /nfs/dbraw/zinc/57/96/55/893579655.db2.gz MIWANBFVWKFNPR-UHFFFAOYSA-N -2 3 371.287 1.933 20 0 FDADHL O=P([O-])([O-])OCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001168589627 909431086 /nfs/dbraw/zinc/43/10/86/909431086.db2.gz KWPVJIHKWIPSDW-UHFFFAOYSA-N -2 3 353.315 1.593 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(=O)[O-])ccc1F ZINC000737579492 927281312 /nfs/dbraw/zinc/28/13/12/927281312.db2.gz WHJITDOTVKRQNS-UHFFFAOYSA-N -2 3 360.407 1.496 20 0 FDADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000787933764 932477865 /nfs/dbraw/zinc/47/78/65/932477865.db2.gz JEOCNKGHJVNWDG-SECBINFHSA-N -2 3 368.180 1.299 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c[n-]1 ZINC000788085084 932553576 /nfs/dbraw/zinc/55/35/76/932553576.db2.gz HGEOZFXJMFVTES-UHFFFAOYSA-N -2 3 368.371 1.566 20 0 FDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C/C=C/C(=O)[O-] ZINC000788448019 932700659 /nfs/dbraw/zinc/70/06/59/932700659.db2.gz UVCBRUZOEJNXJE-NSCUHMNNSA-N -2 3 368.180 1.516 20 0 FDADHL CCO[C@H]1C[C@](NC(=O)c2nnc3ccccc3c2[O-])(C(=O)[O-])C1(C)C ZINC000799250427 939213322 /nfs/dbraw/zinc/21/33/22/939213322.db2.gz GECXZTPTSMVPRQ-SGTLLEGYSA-N -2 3 359.382 1.724 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1C(=O)[O-] ZINC000808121399 940520072 /nfs/dbraw/zinc/52/00/72/940520072.db2.gz LEGGGLBNOOENII-UHFFFAOYSA-N -2 3 363.391 1.712 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(O)cc2)s1 ZINC000809552202 940861746 /nfs/dbraw/zinc/86/17/46/940861746.db2.gz BBMWSVHRXFCPFW-LBPRGKRZSA-N -2 3 371.392 1.345 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)c(F)cc1F ZINC001195258293 970798711 /nfs/dbraw/zinc/79/87/11/970798711.db2.gz NKVVRBCAJOZVBU-ZFWWWQNUSA-N -2 3 369.345 1.600 20 0 FDADHL C[C@@H](Cc1cnccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254450 970794344 /nfs/dbraw/zinc/79/43/44/970794344.db2.gz LVGVINIHKYKVEM-QMMMGPOBSA-N -2 3 357.338 1.363 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc([O-])cnc1Cl ZINC001195298008 970830223 /nfs/dbraw/zinc/83/02/23/970830223.db2.gz LPLZXYMOLAVERR-UHFFFAOYSA-N -2 3 353.718 1.594 20 0 FDADHL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001601423734 970990912 /nfs/dbraw/zinc/99/09/12/970990912.db2.gz IVSRKMDUWDQXGB-AWEZNQCLSA-N -2 3 373.315 1.627 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)[n-]1 ZINC000820797299 944216295 /nfs/dbraw/zinc/21/62/95/944216295.db2.gz IVJIAVKYSGHNJG-UHFFFAOYSA-N -2 3 372.790 1.177 20 0 FDADHL COC(=O)Cc1nc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[n-]1 ZINC000820797205 944216524 /nfs/dbraw/zinc/21/65/24/944216524.db2.gz DUTGUDAFWCVYLV-SREVYHEPSA-N -2 3 356.791 1.586 20 0 FDADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000821177381 944381569 /nfs/dbraw/zinc/38/15/69/944381569.db2.gz CAESETCRFJZWSY-UHFFFAOYSA-N -2 3 360.457 1.967 20 0 FDADHL CCC(CC)(CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825089940 947074910 /nfs/dbraw/zinc/07/49/10/947074910.db2.gz PWFCNYXYDSWUNE-LLVKDONJSA-N -2 3 361.402 1.641 20 0 FDADHL CC(C)(CO)O[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843900197 947409330 /nfs/dbraw/zinc/40/93/30/947409330.db2.gz ZFLSWSCENYFHKN-UHFFFAOYSA-N -2 3 371.242 1.090 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)CC1CC1 ZINC000844821995 948419595 /nfs/dbraw/zinc/41/95/95/948419595.db2.gz SGBZSJJOYRHICD-MRVPVSSYSA-N -2 3 359.791 1.655 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c1 ZINC000846769387 951557845 /nfs/dbraw/zinc/55/78/45/951557845.db2.gz KGKWAFIDFSQWOA-UHFFFAOYSA-N -2 3 361.391 1.700 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001595173491 952231160 /nfs/dbraw/zinc/23/11/60/952231160.db2.gz ZITKZBUJHUDVFF-GARJFASQSA-N -2 3 350.337 1.404 20 0 FDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001589279259 953479028 /nfs/dbraw/zinc/47/90/28/953479028.db2.gz KTYYBPPARMYWMZ-IUCAKERBSA-N -2 3 350.321 1.989 20 0 FDADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001589279257 953479112 /nfs/dbraw/zinc/47/91/12/953479112.db2.gz KTYYBPPARMYWMZ-BDAKNGLRSA-N -2 3 350.321 1.989 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001594510159 955379018 /nfs/dbraw/zinc/37/90/18/955379018.db2.gz FMASEZHQHKPWIZ-MNOVXSKESA-N -2 3 373.365 1.924 20 0 FDADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CC(=O)[N-]OCc3ccccc3)C2)cn1 ZINC001594539093 955612647 /nfs/dbraw/zinc/61/26/47/955612647.db2.gz UJJBOJYHUPYCAS-HZPDHXFCSA-N -2 3 372.425 1.158 20 0 FDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000846715179 955724608 /nfs/dbraw/zinc/72/46/08/955724608.db2.gz SLOGIEBSCPJQNM-LBPRGKRZSA-N -2 3 374.434 1.838 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(O)cccc2C(C)=O)ccc1[O-] ZINC001197242120 972169369 /nfs/dbraw/zinc/16/93/69/972169369.db2.gz CSNZBXVXESIPPH-UHFFFAOYSA-N -2 3 365.363 1.888 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001603216661 972331416 /nfs/dbraw/zinc/33/14/16/972331416.db2.gz UTFHVGRKXHWPFA-NEPJUHHUSA-N -2 3 363.414 1.902 20 0 FDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604932302 972496699 /nfs/dbraw/zinc/49/66/99/972496699.db2.gz WJTZDLBFEIMREM-UHFFFAOYSA-N -2 3 367.358 1.220 20 0 FDADHL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)Cc2ccccn2)c(Cl)c1 ZINC001197829441 972504144 /nfs/dbraw/zinc/50/41/44/972504144.db2.gz SLAVCVZLBXCKNY-UHFFFAOYSA-N -2 3 362.816 1.924 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c(F)cc1Cl ZINC001259222618 960686642 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ZINC001595799145 982611980 /nfs/dbraw/zinc/61/19/80/982611980.db2.gz MVTNDNNPNQGJOC-ZJUUUORDSA-N -2 3 353.375 1.500 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c(F)c1 ZINC001574512357 983253605 /nfs/dbraw/zinc/25/36/05/983253605.db2.gz MQKYHEAQXUKTHX-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2 ZINC000645963811 1014978649 /nfs/dbraw/zinc/97/86/49/1014978649.db2.gz USWHHTKSSLWOBC-LLVKDONJSA-N -2 3 353.352 1.268 20 0 FDADHL CCOC(=O)C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC001596555491 984427365 /nfs/dbraw/zinc/42/73/65/984427365.db2.gz PCOHZDIGBFJTFM-UHFFFAOYSA-N -2 3 362.429 1.243 20 0 FDADHL CCOC(=O)CC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCCC1 ZINC001596594739 984544340 /nfs/dbraw/zinc/54/43/40/984544340.db2.gz VFGMCWRFHYQGDK-UHFFFAOYSA-N -2 3 373.431 1.290 20 0 FDADHL CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC(C)C ZINC001596630723 984616013 /nfs/dbraw/zinc/61/60/13/984616013.db2.gz 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ZINC000562792330 546269342 /nfs/dbraw/zinc/26/93/42/546269342.db2.gz PEARJYGWCIKUIT-JTQLQIEISA-N -2 3 359.415 1.761 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000562939711 546320627 /nfs/dbraw/zinc/32/06/27/546320627.db2.gz XAYJBSWKHXNEHG-RDDDGLTNSA-N -2 3 369.317 1.195 20 0 FDADHL CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000563071071 546385199 /nfs/dbraw/zinc/38/51/99/546385199.db2.gz STLQOQJRRHIBDN-UHFFFAOYSA-N -2 3 371.440 1.603 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c1 ZINC000563073405 546388302 /nfs/dbraw/zinc/38/83/02/546388302.db2.gz UHYQMWBWNILYIH-UHFFFAOYSA-N -2 3 370.330 1.974 20 0 FDADHL CC(C)COC[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccco1 ZINC000563075286 546389017 /nfs/dbraw/zinc/38/90/17/546389017.db2.gz BCZUBRMINPNNPE-KGLIPLIRSA-N -2 3 374.459 1.624 20 0 FDADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cn(C(C)C)cn2)sc1C(=O)[O-] ZINC000563080180 546392688 /nfs/dbraw/zinc/39/26/88/546392688.db2.gz JPRNCYRBQFEUEO-VIFPVBQESA-N -2 3 358.445 1.967 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCOCC1 ZINC000563224664 546453082 /nfs/dbraw/zinc/45/30/82/546453082.db2.gz AXSRPGAJCDWVHO-LBPRGKRZSA-N -2 3 358.416 1.029 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC)CCC(=O)[O-])c1 ZINC000563514958 546565370 /nfs/dbraw/zinc/56/53/70/546565370.db2.gz PPIGDVAEJYSGAG-LBPRGKRZSA-N -2 3 361.391 1.924 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC)CCC(=O)[O-])c1 ZINC000563514957 546565838 /nfs/dbraw/zinc/56/58/38/546565838.db2.gz PPIGDVAEJYSGAG-GFCCVEGCSA-N -2 3 361.391 1.924 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000564177664 546832178 /nfs/dbraw/zinc/83/21/78/546832178.db2.gz DQOQYYGZYYFYTH-RKDXNWHRSA-N -2 3 352.334 1.880 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1ccco1 ZINC000564921294 547104077 /nfs/dbraw/zinc/10/40/77/547104077.db2.gz WAJZXKXNOXTXST-ZDUSSCGKSA-N -2 3 355.368 1.409 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000564920335 547104534 /nfs/dbraw/zinc/10/45/34/547104534.db2.gz FYQHAWVKOQHWQZ-AVPPRXQKSA-N -2 3 361.441 1.547 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCc3nc(C(=O)[O-])cs3)cn21 ZINC000564927070 547108692 /nfs/dbraw/zinc/10/86/92/547108692.db2.gz SVUXBGACHWOKMU-VIFPVBQESA-N -2 3 370.456 1.456 20 0 FDADHL CN(C)c1nc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc(=O)[n-]1 ZINC000564978017 547139882 /nfs/dbraw/zinc/13/98/82/547139882.db2.gz IUYQDHAYOZHCBW-OLZOCXBDSA-N -2 3 356.382 1.189 20 0 FDADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)cc1)C(=O)[O-] ZINC000565058054 547179147 /nfs/dbraw/zinc/17/91/47/547179147.db2.gz QTJRZDOKGWHIOX-YPMHNXCESA-N -2 3 356.444 1.558 20 0 FDADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000565821200 547493480 /nfs/dbraw/zinc/49/34/80/547493480.db2.gz RVMUDSOBPNLUKY-IUCAKERBSA-N -2 3 374.390 1.818 20 0 FDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000566119018 547613684 /nfs/dbraw/zinc/61/36/84/547613684.db2.gz NWWTVRVVFBBHGT-FKQCQYRASA-N -2 3 352.181 1.730 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2nc(C(=O)[O-])cs2)c1 ZINC000566184806 547648193 /nfs/dbraw/zinc/64/81/93/547648193.db2.gz OMBJENNKYZNZJK-UHFFFAOYSA-N -2 3 358.445 1.215 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC000567053304 547979226 /nfs/dbraw/zinc/97/92/26/547979226.db2.gz YUFKDDZDTGYKHA-UHFFFAOYSA-N -2 3 359.454 1.366 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1cccs1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000567100637 547994297 /nfs/dbraw/zinc/99/42/97/547994297.db2.gz SYOASQGYIGCFEN-UHFFFAOYSA-N -2 3 368.465 2.117 20 0 FDADHL COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000567805640 548265889 /nfs/dbraw/zinc/26/58/89/548265889.db2.gz POWOONFZYDVVIN-SNVBAGLBSA-N -2 3 355.368 1.732 20 0 FDADHL COc1ccc(Cl)cc1-c1cc(=NC([O-])=C2CCCS2(=O)=O)[nH][n-]1 ZINC000568232618 548452126 /nfs/dbraw/zinc/45/21/26/548452126.db2.gz XDVJHALYUWRWPX-ZDUSSCGKSA-N -2 3 369.830 2.254 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])cc1F ZINC000568589283 548595027 /nfs/dbraw/zinc/59/50/27/548595027.db2.gz XLXJKPKEBCLHSZ-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL CN1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000568640397 548621207 /nfs/dbraw/zinc/62/12/07/548621207.db2.gz SUJINZDISQSFHS-AWEZNQCLSA-N -2 3 369.421 1.284 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cn1C ZINC000569082105 548788592 /nfs/dbraw/zinc/78/85/92/548788592.db2.gz CYXMGHBPYQNVJR-VIFPVBQESA-N -2 3 371.381 1.865 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)c2ccccc2)C(=O)[O-])s1 ZINC000569312139 548869585 /nfs/dbraw/zinc/86/95/85/548869585.db2.gz RGPFZPMFLRBVLL-LBPRGKRZSA-N -2 3 368.436 1.846 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)cc1Cl ZINC000569686722 549009878 /nfs/dbraw/zinc/00/98/78/549009878.db2.gz IZGNGJFVDBPROI-ZKCHVHJHSA-N -2 3 364.782 1.579 20 0 FDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc2c(c1)OCO2 ZINC000570042351 549138590 /nfs/dbraw/zinc/13/85/90/549138590.db2.gz JLRUPGYFLOUSOQ-UHFFFAOYSA-N -2 3 367.379 1.963 20 0 FDADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cn(C(C)C)cn2)(C(=O)[O-])C1(C)C ZINC000570387735 549260923 /nfs/dbraw/zinc/26/09/23/549260923.db2.gz NKWRNRDXGNSOEZ-XHDPSFHLSA-N -2 3 359.448 1.401 20 0 FDADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000571438399 549646088 /nfs/dbraw/zinc/64/60/88/549646088.db2.gz KJUZMVJKTLLSOW-UHFFFAOYSA-N -2 3 368.411 1.985 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccc(O)cc3)cn21 ZINC000572260446 549877671 /nfs/dbraw/zinc/87/76/71/549877671.db2.gz MTEVIHULVFAPES-MEBBXXQBSA-N -2 3 365.411 1.590 20 0 FDADHL C[C@H](CC(=O)[O-])CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000573338050 550114963 /nfs/dbraw/zinc/11/49/63/550114963.db2.gz BLXCNZOYVITBDU-NSHDSACASA-N -2 3 374.484 1.518 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000575293862 550450705 /nfs/dbraw/zinc/45/07/05/550450705.db2.gz LBYCHFAIIHEUKW-UHFFFAOYSA-N -2 3 361.391 1.527 20 0 FDADHL COC(C)(C)CS(=O)(=O)[N-][C@@H](CC1CCCCC1)[C@H](O)C(=O)[O-] ZINC000576520709 550558425 /nfs/dbraw/zinc/55/84/25/550558425.db2.gz JFMCMYCSUNDAJD-STQMWFEESA-N -2 3 351.465 1.115 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCOCCC(C)C ZINC000576871692 550595199 /nfs/dbraw/zinc/59/51/99/550595199.db2.gz KQUDMEFQNDZDSY-UHFFFAOYSA-N -2 3 351.446 1.796 20 0 FDADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)no1 ZINC000577629130 550677525 /nfs/dbraw/zinc/67/75/25/550677525.db2.gz IXOFZIGHWDDPPL-UHFFFAOYSA-N -2 3 353.400 1.907 20 0 FDADHL Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(=O)[O-])CCCC2)no1 ZINC000577845939 550701172 /nfs/dbraw/zinc/70/11/72/550701172.db2.gz OMWKTYUKJPABGQ-UHFFFAOYSA-N -2 3 351.384 1.824 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000578129900 550731342 /nfs/dbraw/zinc/73/13/42/550731342.db2.gz HORHREDLYVTFTJ-PWSUYJOCSA-N -2 3 353.375 1.862 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2c1OCO2)C(F)(F)F ZINC000578252659 550745041 /nfs/dbraw/zinc/74/50/41/550745041.db2.gz IBYYDXIQTUVUKI-SSDOTTSWSA-N -2 3 355.290 1.347 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2)C1CC1 ZINC000578323243 550751845 /nfs/dbraw/zinc/75/18/45/550751845.db2.gz AFVGUNACDVLLRO-CYBMUJFWSA-N -2 3 357.384 1.323 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)o1 ZINC000578439904 550763614 /nfs/dbraw/zinc/76/36/14/550763614.db2.gz CVCWXOZRYRFALO-UHFFFAOYSA-N -2 3 353.352 1.618 20 0 FDADHL CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)CCO1 ZINC000578745361 550796909 /nfs/dbraw/zinc/79/69/09/550796909.db2.gz QJSMEGMENJUOLW-GHMZBOCLSA-N -2 3 361.391 1.768 20 0 FDADHL Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000578765095 550799472 /nfs/dbraw/zinc/79/94/72/550799472.db2.gz GMXBMZPROOKJQY-SNVBAGLBSA-N -2 3 354.409 1.952 20 0 FDADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579118851 550838141 /nfs/dbraw/zinc/83/81/41/550838141.db2.gz JRIBPNUGXDIIOW-SECBINFHSA-N -2 3 372.424 1.596 20 0 FDADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000579838508 550915736 /nfs/dbraw/zinc/91/57/36/550915736.db2.gz AFNLDCUQQJFQQG-APPZFPTMSA-N -2 3 358.347 1.182 20 0 FDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000579845020 550916689 /nfs/dbraw/zinc/91/66/89/550916689.db2.gz TYVHQPNGWLNFIW-UHFFFAOYSA-N -2 3 364.379 1.349 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000580987140 551039989 /nfs/dbraw/zinc/03/99/89/551039989.db2.gz FHSVHOAJKJEHRZ-GFCCVEGCSA-N -2 3 354.453 1.927 20 0 FDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)OC ZINC000581190949 551062102 /nfs/dbraw/zinc/06/21/02/551062102.db2.gz FFTSCYAVBKWOLJ-JOYOIKCWSA-N -2 3 361.391 1.780 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000581941307 551153108 /nfs/dbraw/zinc/15/31/08/551153108.db2.gz APQZJFLELPNEAG-UHFFFAOYSA-N -2 3 369.395 1.824 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCOCC1 ZINC000582120060 551178895 /nfs/dbraw/zinc/17/88/95/551178895.db2.gz CCFPKKWIYPHSBY-VIFPVBQESA-N -2 3 361.391 1.626 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)F ZINC000582206084 551190886 /nfs/dbraw/zinc/19/08/86/551190886.db2.gz NXPGIMOWZUYLTG-ZCFIWIBFSA-N -2 3 362.276 1.735 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cn21 ZINC000583920407 551421127 /nfs/dbraw/zinc/42/11/27/551421127.db2.gz IEWKTUOWVDMNTD-JGVFFNPUSA-N -2 3 355.338 1.464 20 0 FDADHL Cc1csc(CCCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000584229687 551467291 /nfs/dbraw/zinc/46/72/91/551467291.db2.gz JIWFMQZMUMPABS-UHFFFAOYSA-N -2 3 361.470 1.907 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc21 ZINC000592429010 551994023 /nfs/dbraw/zinc/99/40/23/551994023.db2.gz HLNUBBYNRNNDST-UHFFFAOYSA-N -2 3 368.317 1.972 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c1 ZINC000592448176 551997096 /nfs/dbraw/zinc/99/70/96/551997096.db2.gz LHNLGMPPPCNIGG-QMMMGPOBSA-N -2 3 367.470 1.267 20 0 FDADHL C[C@H](CSCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000592451865 551997859 /nfs/dbraw/zinc/99/78/59/551997859.db2.gz WFZKLHWREHNMNL-MRVPVSSYSA-N -2 3 372.390 1.833 20 0 FDADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000592451866 551997966 /nfs/dbraw/zinc/99/79/66/551997966.db2.gz WFZKLHWREHNMNL-QMMMGPOBSA-N -2 3 372.390 1.833 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000593272197 552079906 /nfs/dbraw/zinc/07/99/06/552079906.db2.gz GGGAKUMQMMXWAT-SNVBAGLBSA-N -2 3 359.400 1.408 20 0 FDADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000594574014 552335892 /nfs/dbraw/zinc/33/58/92/552335892.db2.gz VONQPCJPZPUYBU-SNVBAGLBSA-N -2 3 353.755 1.218 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000596027607 552646418 /nfs/dbraw/zinc/64/64/18/552646418.db2.gz SNBDKUYNDRKSSM-CQSZACIVSA-N -2 3 373.402 1.782 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)n[n-]1 ZINC000600651282 553291654 /nfs/dbraw/zinc/29/16/54/553291654.db2.gz FVEVSOKLRRKONF-ZDUSSCGKSA-N -2 3 371.390 1.855 20 0 FDADHL CC1(C)C[C@H](S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])CO1 ZINC000600658233 553293304 /nfs/dbraw/zinc/29/33/04/553293304.db2.gz KNPKGUNSOBDUIG-BFHYXJOUSA-N -2 3 363.476 1.258 20 0 FDADHL CSc1nc(C)c(CCC(=O)NC2(c3nnn[n-]3)CCCC2)c(=O)[n-]1 ZINC000605381800 553979857 /nfs/dbraw/zinc/97/98/57/553979857.db2.gz XMTZZQHEEIKGPZ-UHFFFAOYSA-N -2 3 363.447 1.244 20 0 FDADHL CSc1nc(C)c(CCC(=O)NC2(c3nn[n-]n3)CCCC2)c(=O)[n-]1 ZINC000605381800 553979859 /nfs/dbraw/zinc/97/98/59/553979859.db2.gz XMTZZQHEEIKGPZ-UHFFFAOYSA-N -2 3 363.447 1.244 20 0 FDADHL O=C([O-])CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C1CCCC1 ZINC000621573636 556114043 /nfs/dbraw/zinc/11/40/43/556114043.db2.gz GPLFEDPBYAWLBE-UHFFFAOYSA-N -2 3 359.382 1.348 20 0 FDADHL C[C@@]1(c2cccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000621585914 556115615 /nfs/dbraw/zinc/11/56/15/556115615.db2.gz MCJMZMZUABWASP-LIRRHRJNSA-N -2 3 373.409 1.505 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCCC2)C(=O)[O-])c(F)c1F ZINC000629296522 557755821 /nfs/dbraw/zinc/75/58/21/557755821.db2.gz GZKCCARSUUCERU-NSHDSACASA-N -2 3 362.398 1.491 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC000629313607 557760958 /nfs/dbraw/zinc/76/09/58/557760958.db2.gz BVZIICUFACTLPS-ZDUSSCGKSA-N -2 3 369.374 1.121 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c(C)o1 ZINC000630266359 557893323 /nfs/dbraw/zinc/89/33/23/557893323.db2.gz WTOKHLQZBOYRDX-CYBMUJFWSA-N -2 3 372.443 1.507 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCO1 ZINC000630422156 557907986 /nfs/dbraw/zinc/90/79/86/557907986.db2.gz KNAHWTJGJJZJFM-ONGXEEELSA-N -2 3 371.308 1.755 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCOC1 ZINC000630433102 557908867 /nfs/dbraw/zinc/90/88/67/557908867.db2.gz 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ZINC000737145133 599769970 /nfs/dbraw/zinc/76/99/70/599769970.db2.gz GAWSAKOZIYPKQD-SNVBAGLBSA-N -2 3 362.404 1.417 20 0 FDADHL C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736826797 599775656 /nfs/dbraw/zinc/77/56/56/599775656.db2.gz SUOXWIATJCWWJU-NSHDSACASA-N -2 3 350.396 1.707 20 0 FDADHL CC(C)(C)c1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C2 ZINC000736299132 600083981 /nfs/dbraw/zinc/08/39/81/600083981.db2.gz IWTCBXLMEQIUQG-SNVBAGLBSA-N -2 3 367.427 1.765 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCNC(=O)c2ccc(F)cc2)o1 ZINC000739417407 600344856 /nfs/dbraw/zinc/34/48/56/600344856.db2.gz YPFWMEAJXLQDDS-UHFFFAOYSA-N -2 3 370.358 1.215 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c2)n1 ZINC000655942122 600345766 /nfs/dbraw/zinc/34/57/66/600345766.db2.gz INZNSJRCWFDGDA-SNVBAGLBSA-N -2 3 372.381 1.187 20 0 FDADHL O=C([O-])C1CCN(C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)CC1 ZINC000739345813 600389860 /nfs/dbraw/zinc/38/98/60/600389860.db2.gz 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/nfs/dbraw/zinc/69/15/01/601691501.db2.gz NTXBESNTEPXTBA-CABZTGNLSA-N -2 3 370.402 1.059 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000827553825 601796981 /nfs/dbraw/zinc/79/69/81/601796981.db2.gz QCHHDQUCKFXDTM-RKDXNWHRSA-N -2 3 357.363 1.577 20 0 FDADHL COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1-c1nnn[n-]1 ZINC000826196633 607527760 /nfs/dbraw/zinc/52/77/60/607527760.db2.gz ITZQCTMBWBUKFN-UHFFFAOYSA-N -2 3 373.413 1.917 20 0 FDADHL COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1-c1nn[n-]n1 ZINC000826196633 607527762 /nfs/dbraw/zinc/52/77/62/607527762.db2.gz ITZQCTMBWBUKFN-UHFFFAOYSA-N -2 3 373.413 1.917 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826303721 607534185 /nfs/dbraw/zinc/53/41/85/607534185.db2.gz BMUQPYOLRPXTHO-UHFFFAOYSA-N -2 3 373.398 1.467 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000826291479 607535971 /nfs/dbraw/zinc/53/59/71/607535971.db2.gz IKNIUYBJNOVSTJ-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740244307 601988373 /nfs/dbraw/zinc/98/83/73/601988373.db2.gz AXDGMZXBVHIJMM-VIFPVBQESA-N -2 3 350.828 1.050 20 0 FDADHL O=C([O-])c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000642222191 602196253 /nfs/dbraw/zinc/19/62/53/602196253.db2.gz VSSMBNWHOOJCPW-UHFFFAOYSA-N -2 3 355.350 1.084 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])ccc1O ZINC000481447716 602199918 /nfs/dbraw/zinc/19/99/18/602199918.db2.gz MBVAPGARSIIXRW-UHFFFAOYSA-N -2 3 368.342 1.989 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCNC(=O)[O-])ccc1F ZINC000736262853 602215555 /nfs/dbraw/zinc/21/55/55/602215555.db2.gz NRAQIVYYDNYVPZ-UHFFFAOYSA-N -2 3 362.379 1.327 20 0 FDADHL O=C([O-])NC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCCCC1 ZINC000740610749 602595073 /nfs/dbraw/zinc/59/50/73/602595073.db2.gz GYMVRPDMEOAXMD-AWEZNQCLSA-N -2 3 359.382 1.517 20 0 FDADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cn1C ZINC000739744769 602652962 /nfs/dbraw/zinc/65/29/62/602652962.db2.gz JNUVACJQTPTKMK-UHFFFAOYSA-N -2 3 370.362 1.415 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000740220408 602809385 /nfs/dbraw/zinc/80/93/85/602809385.db2.gz XFEKKYWTKFXMIA-OCCSQVGLSA-N -2 3 350.419 1.674 20 0 FDADHL CCOCCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H]1C ZINC000739486058 602867630 /nfs/dbraw/zinc/86/76/30/602867630.db2.gz DQLLFTYFRLTYCM-GFCCVEGCSA-N -2 3 351.403 1.665 20 0 FDADHL Cc1nc(C)c(CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c(=O)[n-]1 ZINC000830716745 603467359 /nfs/dbraw/zinc/46/73/59/603467359.db2.gz XFLVEJKIZDLWIC-UHFFFAOYSA-N -2 3 362.430 1.723 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c(C)o1 ZINC000828579845 603515133 /nfs/dbraw/zinc/51/51/33/603515133.db2.gz RHCMKOCBLAZZKU-JTQLQIEISA-N -2 3 372.403 1.901 20 0 FDADHL O=S(=O)([N-]c1cn[nH]c1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826492877 607634724 /nfs/dbraw/zinc/63/47/24/607634724.db2.gz JGNNAKHBWKSSOW-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL O=S(=O)([N-]c1cn[nH]c1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826492877 607634725 /nfs/dbraw/zinc/63/47/25/607634725.db2.gz JGNNAKHBWKSSOW-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCC(=O)[N-]C(=O)c2cccs2)C1 ZINC000832334557 603876643 /nfs/dbraw/zinc/87/66/43/603876643.db2.gz YFXNCMNIOZJZIY-NXEZZACHSA-N -2 3 354.384 1.374 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c([O-])c1 ZINC000830217482 604003506 /nfs/dbraw/zinc/00/35/06/604003506.db2.gz YGTWQKXARCRVLX-ZDUSSCGKSA-N -2 3 363.414 1.421 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)o1 ZINC000833323539 604816179 /nfs/dbraw/zinc/81/61/79/604816179.db2.gz ZIXWZQINXDTKIK-JTQLQIEISA-N -2 3 361.441 1.701 20 0 FDADHL COc1ccc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c(OC)n1 ZINC000833733547 605011591 /nfs/dbraw/zinc/01/15/91/605011591.db2.gz UCGJIFLIRSOTEG-UHFFFAOYSA-N -2 3 352.368 1.739 20 0 FDADHL C[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833739206 605049599 /nfs/dbraw/zinc/04/95/99/605049599.db2.gz RBPQCRMHFQHHER-ZCFIWIBFSA-N -2 3 370.196 1.336 20 0 FDADHL CCC(CC)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCOCC1 ZINC000833642112 605193661 /nfs/dbraw/zinc/19/36/61/605193661.db2.gz FXCJWDHCDBDFDP-AWEZNQCLSA-N -2 3 374.459 1.393 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C(=O)N1c1ccccc1 ZINC000833599056 605208019 /nfs/dbraw/zinc/20/80/19/605208019.db2.gz VVHCHGPCTVZEKN-ZWNOBZJWSA-N -2 3 364.379 1.450 20 0 FDADHL COc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)cc1[N-]S(C)(=O)=O ZINC000829479586 605242683 /nfs/dbraw/zinc/24/26/83/605242683.db2.gz KLZVKKUHCVSFEV-LLVKDONJSA-N -2 3 357.432 1.869 20 0 FDADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000823997833 605493452 /nfs/dbraw/zinc/49/34/52/605493452.db2.gz RVUVSHJPAZZMAM-UHFFFAOYSA-N -2 3 369.212 1.913 20 0 FDADHL COc1cc(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833884945 605919159 /nfs/dbraw/zinc/91/91/59/605919159.db2.gz AWQFOYNPBGWOPG-SNVBAGLBSA-N -2 3 352.387 1.918 20 0 FDADHL Cc1nn(C)c2nc(C)c(CCC(=O)[N-]OC[C@H](C)NC(=O)[O-])c(C)c12 ZINC000833915641 606069270 /nfs/dbraw/zinc/06/92/70/606069270.db2.gz IWCWTWDFZNVFBF-VIFPVBQESA-N -2 3 363.418 1.530 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2c1CCCC2 ZINC000823583590 606207826 /nfs/dbraw/zinc/20/78/26/606207826.db2.gz VKGQANLQQQMCSV-UHFFFAOYSA-N -2 3 356.411 1.941 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc2ncccc21 ZINC000823583436 606212225 /nfs/dbraw/zinc/21/22/25/606212225.db2.gz QOXAOTGMLBSBKN-UHFFFAOYSA-N -2 3 368.378 1.921 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000822223713 606392536 /nfs/dbraw/zinc/39/25/36/606392536.db2.gz HIAIZSIBBCBLFD-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000822223713 606392537 /nfs/dbraw/zinc/39/25/37/606392537.db2.gz HIAIZSIBBCBLFD-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820676750 606626815 /nfs/dbraw/zinc/62/68/15/606626815.db2.gz OAYHQEJKJHGXLL-ZGSOTFDTSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820676750 606626816 /nfs/dbraw/zinc/62/68/16/606626816.db2.gz OAYHQEJKJHGXLL-ZGSOTFDTSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000820542636 606653170 /nfs/dbraw/zinc/65/31/70/606653170.db2.gz POKNHGKAEFAMFH-SNVBAGLBSA-N -2 3 365.415 1.023 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000820542636 606653171 /nfs/dbraw/zinc/65/31/71/606653171.db2.gz POKNHGKAEFAMFH-SNVBAGLBSA-N -2 3 365.415 1.023 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822374331 606695930 /nfs/dbraw/zinc/69/59/30/606695930.db2.gz RJMWXAFMIYLDCG-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822374331 606695931 /nfs/dbraw/zinc/69/59/31/606695931.db2.gz RJMWXAFMIYLDCG-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822373754 606696008 /nfs/dbraw/zinc/69/60/08/606696008.db2.gz BPFDFIMOJYYVAH-UHFFFAOYSA-N -2 3 374.361 1.158 20 0 FDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822373754 606696009 /nfs/dbraw/zinc/69/60/09/606696009.db2.gz BPFDFIMOJYYVAH-UHFFFAOYSA-N -2 3 374.361 1.158 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC000820438389 606794313 /nfs/dbraw/zinc/79/43/13/606794313.db2.gz ONHZYQUFSKCTLI-QMMMGPOBSA-N -2 3 373.385 1.238 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821027627 607095866 /nfs/dbraw/zinc/09/58/66/607095866.db2.gz PCHSSGAXVIDERJ-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821027627 607095868 /nfs/dbraw/zinc/09/58/68/607095868.db2.gz PCHSSGAXVIDERJ-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820055960 607109575 /nfs/dbraw/zinc/10/95/75/607109575.db2.gz MAWAECPUJWHCLO-NWDGAFQWSA-N -2 3 361.402 1.497 20 0 FDADHL CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820055960 607109576 /nfs/dbraw/zinc/10/95/76/607109576.db2.gz MAWAECPUJWHCLO-NWDGAFQWSA-N -2 3 361.402 1.497 20 0 FDADHL O=C([O-])c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000823036489 607111061 /nfs/dbraw/zinc/11/10/61/607111061.db2.gz DLEHAHUNTJRJBM-UHFFFAOYSA-N -2 3 357.301 1.722 20 0 FDADHL Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1C(=O)[O-] ZINC000822248692 607111063 /nfs/dbraw/zinc/11/10/63/607111063.db2.gz IXRVCFYROCBTKN-UHFFFAOYSA-N -2 3 353.338 1.891 20 0 FDADHL O=C([O-])c1cccc(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823392363 607207106 /nfs/dbraw/zinc/20/71/06/607207106.db2.gz ORALAHGPTNDHNV-UHFFFAOYSA-N -2 3 359.367 1.507 20 0 FDADHL O=C([O-])c1cccc(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823392363 607207107 /nfs/dbraw/zinc/20/71/07/607207107.db2.gz ORALAHGPTNDHNV-UHFFFAOYSA-N -2 3 359.367 1.507 20 0 FDADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC000826263312 607776617 /nfs/dbraw/zinc/77/66/17/607776617.db2.gz VDLWJZZHVHUECX-UHFFFAOYSA-N -2 3 374.426 1.547 20 0 FDADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC000826263312 607776618 /nfs/dbraw/zinc/77/66/18/607776618.db2.gz VDLWJZZHVHUECX-UHFFFAOYSA-N -2 3 374.426 1.547 20 0 FDADHL O=C([O-])C1(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC000826461417 608011643 /nfs/dbraw/zinc/01/16/43/608011643.db2.gz UIQZOPDNGOYBBO-UHFFFAOYSA-N -2 3 369.378 1.072 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826231985 608141139 /nfs/dbraw/zinc/14/11/39/608141139.db2.gz ZSKFYUUXZWPZPS-LLVKDONJSA-N -2 3 357.395 1.475 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826231985 608141140 /nfs/dbraw/zinc/14/11/40/608141140.db2.gz ZSKFYUUXZWPZPS-LLVKDONJSA-N -2 3 357.395 1.475 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCOC(C)C ZINC000826279587 608142767 /nfs/dbraw/zinc/14/27/67/608142767.db2.gz VFOLPQMISBZQTL-UHFFFAOYSA-N -2 3 367.431 1.185 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCOC(C)C ZINC000826279587 608142768 /nfs/dbraw/zinc/14/27/68/608142768.db2.gz VFOLPQMISBZQTL-UHFFFAOYSA-N -2 3 367.431 1.185 20 0 FDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826452261 608214473 /nfs/dbraw/zinc/21/44/73/608214473.db2.gz MZUZXHRWKOUZQW-AWEZNQCLSA-N -2 3 365.328 1.593 20 0 FDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000826452261 608214475 /nfs/dbraw/zinc/21/44/75/608214475.db2.gz MZUZXHRWKOUZQW-AWEZNQCLSA-N -2 3 365.328 1.593 20 0 FDADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000825348763 608219868 /nfs/dbraw/zinc/21/98/68/608219868.db2.gz ZLZTTWHXVTYISE-UHFFFAOYSA-N -2 3 365.394 1.493 20 0 FDADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000825348763 608219870 /nfs/dbraw/zinc/21/98/70/608219870.db2.gz ZLZTTWHXVTYISE-UHFFFAOYSA-N -2 3 365.394 1.493 20 0 FDADHL COc1ccc(-c2nc(SC[C@@H](C)CO)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181884 608262859 /nfs/dbraw/zinc/26/28/59/608262859.db2.gz QYNXSLOKVOHSPO-VIFPVBQESA-N -2 3 374.426 1.758 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826449790 608474122 /nfs/dbraw/zinc/47/41/22/608474122.db2.gz KBARTTXWZKYEPP-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL O=C([N-]OC1CCCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826449790 608474123 /nfs/dbraw/zinc/47/41/23/608474123.db2.gz KBARTTXWZKYEPP-UHFFFAOYSA-N -2 3 350.766 1.449 20 0 FDADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826166586 609139049 /nfs/dbraw/zinc/13/90/49/609139049.db2.gz RNKHRPMHVDQAKR-CQSZACIVSA-N -2 3 373.394 1.059 20 0 FDADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826166586 609139050 /nfs/dbraw/zinc/13/90/50/609139050.db2.gz RNKHRPMHVDQAKR-CQSZACIVSA-N -2 3 373.394 1.059 20 0 FDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824877569 609139475 /nfs/dbraw/zinc/13/94/75/609139475.db2.gz YNPAUSPQZANEFS-QWRGUYRKSA-N -2 3 363.443 1.744 20 0 FDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824877569 609139476 /nfs/dbraw/zinc/13/94/76/609139476.db2.gz YNPAUSPQZANEFS-QWRGUYRKSA-N -2 3 363.443 1.744 20 0 FDADHL O=S(=O)([N-]c1cnc2c(c1)COCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000826493155 609163787 /nfs/dbraw/zinc/16/37/87/609163787.db2.gz WBYSLWNWPOIWOQ-UHFFFAOYSA-N -2 3 358.383 1.135 20 0 FDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456293 609250667 /nfs/dbraw/zinc/25/06/67/609250667.db2.gz XQADGKVLPVVCQP-ZDUSSCGKSA-N -2 3 368.378 1.969 20 0 FDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456293 609250668 /nfs/dbraw/zinc/25/06/68/609250668.db2.gz XQADGKVLPVVCQP-ZDUSSCGKSA-N -2 3 368.378 1.969 20 0 FDADHL 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GPRRYXLYMFLBBG-NOZJJQNGSA-N -2 3 368.436 1.382 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000424396201 538287940 /nfs/dbraw/zinc/28/79/40/538287940.db2.gz WYFMXZOIOBYPMZ-UHFFFAOYSA-N -2 3 362.473 1.554 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000461465550 538521459 /nfs/dbraw/zinc/52/14/59/538521459.db2.gz SXMRMBRHNXXRBH-UHFFFAOYSA-N -2 3 358.322 1.536 20 0 FDADHL Cc1noc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1C ZINC000489536832 538821939 /nfs/dbraw/zinc/82/19/39/538821939.db2.gz TXBLKPCGZRAZOP-UHFFFAOYSA-N -2 3 363.392 1.603 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000561357680 545816641 /nfs/dbraw/zinc/81/66/41/545816641.db2.gz NQAHSKUANVEWEN-SECBINFHSA-N -2 3 357.281 1.866 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000563803152 546689851 /nfs/dbraw/zinc/68/98/51/546689851.db2.gz KSDAVCYPMHKTGJ-LLVKDONJSA-N -2 3 374.216 1.287 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000564233794 546855203 /nfs/dbraw/zinc/85/52/03/546855203.db2.gz IJDJHHPVPNNTKM-CQSZACIVSA-N -2 3 366.443 1.685 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000564327679 546880499 /nfs/dbraw/zinc/88/04/99/546880499.db2.gz YCMKMWNFECELIH-LBPRGKRZSA-N -2 3 363.407 1.872 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000564919231 547103065 /nfs/dbraw/zinc/10/30/65/547103065.db2.gz AVXXRPFJXJSSNL-NSHDSACASA-N -2 3 361.391 1.770 20 0 FDADHL O=C([O-])CC[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000564977958 547139735 /nfs/dbraw/zinc/13/97/35/547139735.db2.gz IJHJSCMGDGNEDO-GFCCVEGCSA-N -2 3 372.418 1.350 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000565446918 547352742 /nfs/dbraw/zinc/35/27/42/547352742.db2.gz XQBYZPUXKSAAAX-CQSZACIVSA-N -2 3 367.354 1.717 20 0 FDADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000566056075 547582184 /nfs/dbraw/zinc/58/21/84/547582184.db2.gz NTHKKUKPGLNWMC-QMMMGPOBSA-N -2 3 360.363 1.572 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@](C)(C(=O)[O-])C1CC1 ZINC000566179397 547644525 /nfs/dbraw/zinc/64/45/25/547644525.db2.gz WFVVRKZWGJTRRJ-HNNXBMFYSA-N -2 3 361.391 1.383 20 0 FDADHL C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000566235694 547675061 /nfs/dbraw/zinc/67/50/61/547675061.db2.gz SCTFESOUAHJMJX-NEPJUHHUSA-N -2 3 372.418 1.063 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000567367713 548094461 /nfs/dbraw/zinc/09/44/61/548094461.db2.gz VJBHSFYJQBMADK-UHFFFAOYSA-N -2 3 373.394 1.801 20 0 FDADHL COCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCC1 ZINC000567467703 548127655 /nfs/dbraw/zinc/12/76/55/548127655.db2.gz JUQAKOFZGZKXCR-UHFFFAOYSA-N -2 3 363.457 1.940 20 0 FDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000567579630 548166947 /nfs/dbraw/zinc/16/69/47/548166947.db2.gz HSNOSLGVOFHTTJ-GFCCVEGCSA-N -2 3 363.407 1.773 20 0 FDADHL Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC000567798944 548263303 /nfs/dbraw/zinc/26/33/03/548263303.db2.gz YBSYVMUTROMPRE-JTQLQIEISA-N -2 3 356.425 1.896 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2cccc(F)c2)cn1C ZINC000569336955 548879374 /nfs/dbraw/zinc/87/93/74/548879374.db2.gz UXIUOLPPGRXSCE-HNNXBMFYSA-N -2 3 355.391 1.536 20 0 FDADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000569964890 549112063 /nfs/dbraw/zinc/11/20/63/549112063.db2.gz XXHWCZHVAUQMCY-JTQLQIEISA-N -2 3 353.391 1.715 20 0 FDADHL CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000569998741 549124033 /nfs/dbraw/zinc/12/40/33/549124033.db2.gz UMUPDPDWQCKZAE-CQSZACIVSA-N -2 3 353.334 1.860 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ncc(C(=O)[O-])s1 ZINC000571524118 549676446 /nfs/dbraw/zinc/67/64/46/549676446.db2.gz QUUCSMCYVROVNZ-IUCAKERBSA-N -2 3 370.456 1.975 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c(Cl)c1 ZINC000572187116 549861148 /nfs/dbraw/zinc/86/11/48/549861148.db2.gz QMGXCGHMESXEDH-LLVKDONJSA-N -2 3 363.819 1.904 20 0 FDADHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1C ZINC000572270557 549879724 /nfs/dbraw/zinc/87/97/24/549879724.db2.gz UBZBAAIQRIZNMR-AWEZNQCLSA-N -3 3 374.371 1.056 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000572368952 549899720 /nfs/dbraw/zinc/89/97/20/549899720.db2.gz OEALYNMZBULREQ-SECBINFHSA-N -2 3 363.461 1.517 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2)cc(=O)[n-]1 ZINC000573307687 550108080 /nfs/dbraw/zinc/10/80/80/550108080.db2.gz VVQKYEXWYSJJTQ-KRWDZBQOSA-N -2 3 358.354 1.523 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000573320671 550111344 /nfs/dbraw/zinc/11/13/44/550111344.db2.gz DTNJYNHJCVERRY-UHFFFAOYSA-N -2 3 351.384 1.475 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCc3nc(C)ncc3C2)cc1C(=O)[O-] ZINC000574875328 550384790 /nfs/dbraw/zinc/38/47/90/550384790.db2.gz YKHIGDUJBMLOFG-NSHDSACASA-N -2 3 351.384 1.220 20 0 FDADHL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000575785309 550475645 /nfs/dbraw/zinc/47/56/45/550475645.db2.gz YHOXRUKPLYMQBG-UHFFFAOYSA-N -2 3 355.329 1.411 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)cc1C(=O)[O-] ZINC000575865778 550484537 /nfs/dbraw/zinc/48/45/37/550484537.db2.gz SEEQXCAOBZBFLA-UHFFFAOYSA-N -2 3 357.388 1.704 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000575985370 550498397 /nfs/dbraw/zinc/49/83/97/550498397.db2.gz IRASOQQFZICDSG-JSGCOSHPSA-N -2 3 351.428 1.513 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F)nc1 ZINC000577230989 550635000 /nfs/dbraw/zinc/63/50/00/550635000.db2.gz BRKXHLIZTASTNJ-UHFFFAOYSA-N -2 3 371.431 1.096 20 0 FDADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577296046 550642006 /nfs/dbraw/zinc/64/20/06/550642006.db2.gz TVEJVTNQWUAULM-UHFFFAOYSA-N -2 3 366.374 1.823 20 0 FDADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CF)C(=O)[O-] ZINC000577489785 550662119 /nfs/dbraw/zinc/66/21/19/550662119.db2.gz YLIBWNHKXFTACD-PSASIEDQSA-N -2 3 369.798 1.455 20 0 FDADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000578045013 550722289 /nfs/dbraw/zinc/72/22/89/550722289.db2.gz KJZWWKYBZBSKAI-QMMMGPOBSA-N -2 3 374.390 1.818 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1F ZINC000579076747 550832099 /nfs/dbraw/zinc/83/20/99/550832099.db2.gz XJLZPLGOJJICRE-DOMZBBRYSA-N -2 3 359.375 1.534 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])nc1C ZINC000580308585 550964882 /nfs/dbraw/zinc/96/48/82/550964882.db2.gz MVRILSOWBQRYGB-ZDUSSCGKSA-N -2 3 369.418 1.572 20 0 FDADHL C[C@]1(c2cccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000580325862 550967492 /nfs/dbraw/zinc/96/74/92/550967492.db2.gz AHEWPJIGGMTOLT-BBATYDOGSA-N -2 3 359.382 1.068 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000581254569 551068688 /nfs/dbraw/zinc/06/86/88/551068688.db2.gz NAAQHTUQIRBZGP-LBPRGKRZSA-N -2 3 373.402 1.530 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000581354526 551079249 /nfs/dbraw/zinc/07/92/49/551079249.db2.gz OQRDRZNTMSECAF-SECBINFHSA-N -2 3 353.755 1.082 20 0 FDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000581532928 551100380 /nfs/dbraw/zinc/10/03/80/551100380.db2.gz SJBKQDGKEJBMRH-RQJHMYQMSA-N -2 3 354.197 1.976 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c(F)c1 ZINC000581572705 551106263 /nfs/dbraw/zinc/10/62/63/551106263.db2.gz MWJZILQUWWTBEN-XYPYZODXSA-N -2 3 373.402 1.782 20 0 FDADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C2CC2)s1 ZINC000582782908 551266576 /nfs/dbraw/zinc/26/65/76/551266576.db2.gz NMXSSTMAMUMURI-GFCCVEGCSA-N -2 3 353.425 1.974 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1F ZINC000583930277 551422332 /nfs/dbraw/zinc/42/23/32/551422332.db2.gz XEPFSBOZRSDFGY-TVQRCGJNSA-N -2 3 361.391 1.636 20 0 FDADHL Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000584170564 551457966 /nfs/dbraw/zinc/45/79/66/551457966.db2.gz XUHKDVAVJDQLHW-UHFFFAOYSA-N -2 3 358.445 1.103 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000584388850 551489539 /nfs/dbraw/zinc/48/95/39/551489539.db2.gz UILVZYRYCHZKIF-UHFFFAOYSA-N -2 3 363.439 1.440 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])c1 ZINC000584583686 551521705 /nfs/dbraw/zinc/52/17/05/551521705.db2.gz SJJWJBHLESTJNJ-CYBMUJFWSA-N -2 3 369.468 1.817 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N3CCOC[C@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000584757590 551542697 /nfs/dbraw/zinc/54/26/97/551542697.db2.gz PVIHSHAPHYSWAU-AWEZNQCLSA-N -2 3 358.354 1.475 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c[n-]1 ZINC000585730811 551589294 /nfs/dbraw/zinc/58/92/94/551589294.db2.gz COEOWDJOUCXCGS-UHFFFAOYSA-N -2 3 353.400 1.576 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(CCOC)cc2)[n-]1 ZINC000585730811 551589295 /nfs/dbraw/zinc/58/92/95/551589295.db2.gz COEOWDJOUCXCGS-UHFFFAOYSA-N -2 3 353.400 1.576 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000593944366 552231750 /nfs/dbraw/zinc/23/17/50/552231750.db2.gz JRCZFZIWMFLIFP-LLVKDONJSA-N -2 3 361.391 1.638 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c[n-]1 ZINC000594725561 552364735 /nfs/dbraw/zinc/36/47/35/552364735.db2.gz FTSNVVJIVQPCCE-GFCCVEGCSA-N -2 3 359.448 1.923 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c(F)c1 ZINC000596025219 552645618 /nfs/dbraw/zinc/64/56/18/552645618.db2.gz RRVNRKGWOPYPKC-LLVKDONJSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C1CCC1 ZINC000596025867 552645973 /nfs/dbraw/zinc/64/59/73/552645973.db2.gz COJRIEZAKXHMHM-SNVBAGLBSA-N -2 3 361.441 1.622 20 0 FDADHL COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616089 553103823 /nfs/dbraw/zinc/10/38/23/553103823.db2.gz DVGSHFLOMQBMNZ-WPRPVWTQSA-N -2 3 368.411 1.351 20 0 FDADHL CCOC(=O)c1cc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)[n-]c1C ZINC000600512448 553279552 /nfs/dbraw/zinc/27/95/52/553279552.db2.gz DVBXPKFFHQFROP-UHFFFAOYSA-N -2 3 364.427 1.920 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000600661112 553294502 /nfs/dbraw/zinc/29/45/02/553294502.db2.gz ZPIBTPOJURTVQB-CMPLNLGQSA-N -2 3 373.402 1.924 20 0 FDADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000605613573 554007901 /nfs/dbraw/zinc/00/79/01/554007901.db2.gz SPNHOEXDZMRQCE-LLVKDONJSA-N -2 3 351.384 1.491 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C(=O)[O-] ZINC000609795891 554422357 /nfs/dbraw/zinc/42/23/57/554422357.db2.gz GPTNIYPBHQZHRY-HSZRJFAPSA-N -2 3 369.420 1.932 20 0 FDADHL C[C@]1(c2ccc([N-]S(=O)(=O)c3cncc(F)c3)cc2)NC(=O)[N-]C1=O ZINC000623623131 556456469 /nfs/dbraw/zinc/45/64/69/556456469.db2.gz QQMGCYXBPGVNSE-OAHLLOKOSA-N -2 3 364.358 1.076 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000629294519 557754832 /nfs/dbraw/zinc/75/48/32/557754832.db2.gz DYMYANCQJMOBTF-AWEZNQCLSA-N -2 3 357.359 1.924 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1F ZINC000629296137 557755255 /nfs/dbraw/zinc/75/52/55/557755255.db2.gz DSRHGQAUBFZELI-NSHDSACASA-N -2 3 373.381 1.229 20 0 FDADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-])C1CC1 ZINC000629302830 557757610 /nfs/dbraw/zinc/75/76/10/557757610.db2.gz AVTYQXVPHLCZHO-MNOVXSKESA-N -2 3 363.382 1.820 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1nc(C(=O)[O-])cs1 ZINC000629308206 557759162 /nfs/dbraw/zinc/75/91/62/557759162.db2.gz GNNYFRARMVLUTA-QMMMGPOBSA-N -2 3 354.409 1.816 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000630425031 557908571 /nfs/dbraw/zinc/90/85/71/557908571.db2.gz ZJBKWWXACZMYCS-MNOVXSKESA-N -2 3 354.211 1.904 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630418266 557907327 /nfs/dbraw/zinc/90/73/27/557907327.db2.gz JHMBMHAHYUUFET-ZETCQYMHSA-N -2 3 358.235 1.279 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cscc1Br)CC(=O)[O-] ZINC000630419692 557907507 /nfs/dbraw/zinc/90/75/07/557907507.db2.gz IWTBLZFGXDPKRJ-LURJTMIESA-N -2 3 358.235 1.279 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H]1CCCO1 ZINC000630422964 557907916 /nfs/dbraw/zinc/90/79/16/557907916.db2.gz DSWZAQKXWINIOH-CBAPKCEASA-N -2 3 370.246 1.421 20 0 FDADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736957841 598823640 /nfs/dbraw/zinc/82/36/40/598823640.db2.gz VBPJMZSRCPACER-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737053258 598841674 /nfs/dbraw/zinc/84/16/74/598841674.db2.gz HIKKNEWJFNUYQK-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737053258 598841675 /nfs/dbraw/zinc/84/16/75/598841675.db2.gz HIKKNEWJFNUYQK-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737386259 598909638 /nfs/dbraw/zinc/90/96/38/598909638.db2.gz XMYRJXFSKGCELS-GFCCVEGCSA-N -2 3 371.422 1.784 20 0 FDADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737386259 598909640 /nfs/dbraw/zinc/90/96/40/598909640.db2.gz XMYRJXFSKGCELS-GFCCVEGCSA-N -2 3 371.422 1.784 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1sccc1-c1nnn[n-]1 ZINC000738139696 599025949 /nfs/dbraw/zinc/02/59/49/599025949.db2.gz NVBWHEPVGBSCAC-UHFFFAOYSA-N -2 3 367.387 1.327 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1sccc1-c1nn[n-]n1 ZINC000738139696 599025952 /nfs/dbraw/zinc/02/59/52/599025952.db2.gz NVBWHEPVGBSCAC-UHFFFAOYSA-N -2 3 367.387 1.327 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCCC2 ZINC000823583056 599233994 /nfs/dbraw/zinc/23/39/94/599233994.db2.gz FSCJJIZOPGTGKG-UHFFFAOYSA-N -2 3 356.411 1.941 20 0 FDADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000675989934 597461192 /nfs/dbraw/zinc/46/11/92/597461192.db2.gz HARQMLWBJFQEEW-VIFPVBQESA-N -2 3 369.374 1.500 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736230032 598314079 /nfs/dbraw/zinc/31/40/79/598314079.db2.gz QOFSTPMWWDSTPI-OAHLLOKOSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736230032 598314081 /nfs/dbraw/zinc/31/40/81/598314081.db2.gz QOFSTPMWWDSTPI-OAHLLOKOSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737370587 598491063 /nfs/dbraw/zinc/49/10/63/598491063.db2.gz SYHSYUWWFUXEFA-AREMUKBSSA-N -2 3 369.450 1.908 20 0 FDADHL Cc1cccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737412098 598492721 /nfs/dbraw/zinc/49/27/21/598492721.db2.gz TZIRPHIBPCEKJX-RUZDIDTESA-N -2 3 355.423 1.599 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1Cl ZINC000737617837 598594142 /nfs/dbraw/zinc/59/41/42/598594142.db2.gz CUGHWCJIIDJHQM-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1Cl ZINC000737617837 598594143 /nfs/dbraw/zinc/59/41/43/598594143.db2.gz CUGHWCJIIDJHQM-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738137915 598639002 /nfs/dbraw/zinc/63/90/02/598639002.db2.gz VDHXYPQCUPRYJB-UHFFFAOYSA-N -2 3 356.317 1.192 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738137915 598639004 /nfs/dbraw/zinc/63/90/04/598639004.db2.gz VDHXYPQCUPRYJB-UHFFFAOYSA-N -2 3 356.317 1.192 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736423235 598785162 /nfs/dbraw/zinc/78/51/62/598785162.db2.gz MMSQZSOFFRPQHU-VMPCVLLUSA-N -2 3 363.443 1.762 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736423235 598785163 /nfs/dbraw/zinc/78/51/63/598785163.db2.gz MMSQZSOFFRPQHU-VMPCVLLUSA-N -2 3 363.443 1.762 20 0 FDADHL O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343466 598809599 /nfs/dbraw/zinc/80/95/99/598809599.db2.gz ZNTYHLZQXXICFC-UHFFFAOYSA-N -2 3 372.410 1.851 20 0 FDADHL O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343466 598809600 /nfs/dbraw/zinc/80/96/00/598809600.db2.gz ZNTYHLZQXXICFC-UHFFFAOYSA-N -2 3 372.410 1.851 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000823583562 599308437 /nfs/dbraw/zinc/30/84/37/599308437.db2.gz UMHKNPVNKYTAQG-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000823583562 599308440 /nfs/dbraw/zinc/30/84/40/599308440.db2.gz UMHKNPVNKYTAQG-UHFFFAOYSA-N -2 3 359.293 1.409 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736204573 599515670 /nfs/dbraw/zinc/51/56/70/599515670.db2.gz SEKXBUBSCXHHEM-NSHDSACASA-N -2 3 357.395 1.688 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736204573 599515671 /nfs/dbraw/zinc/51/56/71/599515671.db2.gz SEKXBUBSCXHHEM-NSHDSACASA-N -2 3 357.395 1.688 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000819866727 599619698 /nfs/dbraw/zinc/61/96/98/599619698.db2.gz PAFRVTLKSCGLSM-JTQLQIEISA-N -2 3 361.383 1.209 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000819866727 599619699 /nfs/dbraw/zinc/61/96/99/599619699.db2.gz PAFRVTLKSCGLSM-JTQLQIEISA-N -2 3 361.383 1.209 20 0 FDADHL C[C@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000262716019 599759636 /nfs/dbraw/zinc/75/96/36/599759636.db2.gz RVPSQCZZPIFTKH-ZETCQYMHSA-N -2 3 369.226 1.251 20 0 FDADHL C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@H](C)O1 ZINC000736811692 599767894 /nfs/dbraw/zinc/76/78/94/599767894.db2.gz ZVMSXQKKADOZQN-PHIMTYICSA-N -2 3 360.432 1.144 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)o1 ZINC000740176477 599777341 /nfs/dbraw/zinc/77/73/41/599777341.db2.gz HHIVXOWFVNGELR-UHFFFAOYSA-N -2 3 352.368 1.640 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3F)C2)o1 ZINC000740175772 599779584 /nfs/dbraw/zinc/77/95/84/599779584.db2.gz YLBVVCJFNGAVDE-SNVBAGLBSA-N -2 3 372.349 1.813 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c1 ZINC000737691365 599812430 /nfs/dbraw/zinc/81/24/30/599812430.db2.gz MXSDAVLGNYATAX-AWEZNQCLSA-N -2 3 367.354 1.717 20 0 FDADHL CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736271886 600346370 /nfs/dbraw/zinc/34/63/70/600346370.db2.gz BEWKBIAGUVNHLZ-SECBINFHSA-N -2 3 360.388 1.266 20 0 FDADHL CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736389533 600370739 /nfs/dbraw/zinc/37/07/39/600370739.db2.gz JPLGOWXVVCUKDT-AWEZNQCLSA-N -2 3 350.371 1.292 20 0 FDADHL COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2c1 ZINC000832481612 600988902 /nfs/dbraw/zinc/98/89/02/600988902.db2.gz NBQHSHRZEKPBGM-UHFFFAOYSA-N -2 3 364.379 1.989 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1F ZINC000392293328 600990098 /nfs/dbraw/zinc/99/00/98/600990098.db2.gz VNLPKKLTDAUFKY-UHFFFAOYSA-N -2 3 371.317 1.870 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)oc1C ZINC000831343209 601215213 /nfs/dbraw/zinc/21/52/13/601215213.db2.gz GSEIJXWUXSIVQL-CYBMUJFWSA-N -2 3 367.379 1.869 20 0 FDADHL CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000825898424 601220604 /nfs/dbraw/zinc/22/06/04/601220604.db2.gz XCVSOROCVHTXNS-UHFFFAOYSA-N -2 3 366.395 1.766 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2cccnc2)c1F ZINC000833293611 601236317 /nfs/dbraw/zinc/23/63/17/601236317.db2.gz AALDGSYZFWEALM-UHFFFAOYSA-N -2 3 358.322 1.415 20 0 FDADHL CCCCOC(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829401054 601237218 /nfs/dbraw/zinc/23/72/18/601237218.db2.gz BYVPIUZJUBVJSE-UHFFFAOYSA-N -2 3 351.327 1.285 20 0 FDADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)o1 ZINC000829881767 601401920 /nfs/dbraw/zinc/40/19/20/601401920.db2.gz YSFWKEBFFQAWLX-UHFFFAOYSA-N -2 3 359.381 1.695 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(F)(F)F ZINC000831520476 601578715 /nfs/dbraw/zinc/57/87/15/601578715.db2.gz WYGGUWSGPIQAHM-MRVPVSSYSA-N -2 3 363.260 1.519 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(F)(F)F ZINC000831520478 601578727 /nfs/dbraw/zinc/57/87/27/601578727.db2.gz WYGGUWSGPIQAHM-QMMMGPOBSA-N -2 3 363.260 1.519 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000831467353 601596711 /nfs/dbraw/zinc/59/67/11/601596711.db2.gz ZBJNVUJAMPQWMU-GFCCVEGCSA-N -2 3 361.441 1.847 20 0 FDADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826045700 601611361 /nfs/dbraw/zinc/61/13/61/601611361.db2.gz XIUQFFQLYXKXGC-MEBBXXQBSA-N -2 3 352.346 1.762 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2occc2C(=O)[O-])ccc1F ZINC000831034090 601682508 /nfs/dbraw/zinc/68/25/08/601682508.db2.gz KRMWVMRHINKCGZ-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL C[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC000827552932 601789305 /nfs/dbraw/zinc/78/93/05/601789305.db2.gz KOLFWPALNIHYJW-ONGXEEELSA-N -2 3 360.819 1.085 20 0 FDADHL O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000740477600 601893192 /nfs/dbraw/zinc/89/31/92/601893192.db2.gz FPHHJOBSPQUOQL-CQSZACIVSA-N -2 3 364.365 1.910 20 0 FDADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826222130 607535549 /nfs/dbraw/zinc/53/55/49/607535549.db2.gz JYLXFTHZOXLTSZ-UHFFFAOYSA-N -2 3 360.399 1.688 20 0 FDADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826222130 607535550 /nfs/dbraw/zinc/53/55/50/607535550.db2.gz JYLXFTHZOXLTSZ-UHFFFAOYSA-N -2 3 360.399 1.688 20 0 FDADHL O=C([O-])N(CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1CC1 ZINC000740436607 602065742 /nfs/dbraw/zinc/06/57/42/602065742.db2.gz MCFVXBXKCBFZBH-AWEZNQCLSA-N -2 3 361.398 1.255 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CN1C1CC1 ZINC000828183974 602164201 /nfs/dbraw/zinc/16/42/01/602164201.db2.gz MRGADUCUHSEOGG-BDAKNGLRSA-N -2 3 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C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589086444 955904543 /nfs/dbraw/zinc/90/45/43/955904543.db2.gz MJIXZXYUIXJGNN-NHCYSSNCSA-N -2 3 351.403 1.613 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(Br)s2)CCSC1 ZINC000043511370 957434441 /nfs/dbraw/zinc/43/44/41/957434441.db2.gz WEYSSSIBQQQIAX-VIFPVBQESA-N -2 3 372.287 1.749 20 0 FDADHL COc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594078287 958237960 /nfs/dbraw/zinc/23/79/60/958237960.db2.gz IPTVPTSFPMYWHR-RYUDHWBXSA-N -2 3 359.382 1.465 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)s1 ZINC001588525822 958853058 /nfs/dbraw/zinc/85/30/58/958853058.db2.gz GKGIWRMESCZRGE-UHFFFAOYSA-N -2 3 355.397 1.278 20 0 FDADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197773094 972428876 /nfs/dbraw/zinc/42/88/76/972428876.db2.gz NRFVFKLTEZODCQ-UHFFFAOYSA-N -2 3 354.211 1.847 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)n1 ZINC001594268844 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ZINC000852741844 967572106 /nfs/dbraw/zinc/57/21/06/967572106.db2.gz LCCQWGYBSZUMMB-GOSISDBHSA-N -2 3 370.453 1.762 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000776633447 967714244 /nfs/dbraw/zinc/71/42/44/967714244.db2.gz CUVMZPDBKKEIOH-SWLSCSKDSA-N -2 3 359.375 1.534 20 0 FDADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000681563809 968868299 /nfs/dbraw/zinc/86/82/99/968868299.db2.gz YGZXVOQMABVSDN-SNVBAGLBSA-N -3 3 370.408 1.406 20 0 FDADHL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001192109668 968946431 /nfs/dbraw/zinc/94/64/31/968946431.db2.gz JMZGERWALMEWJC-UHFFFAOYSA-N -2 3 355.397 1.289 20 0 FDADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(CC(=O)OC)ccc1[O-] ZINC001193052683 969459512 /nfs/dbraw/zinc/45/95/12/969459512.db2.gz YQWPROPZBMVOBX-UHFFFAOYSA-N -2 3 359.400 1.191 20 0 FDADHL O=C(NCc1c[nH]cn1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193253926 969581367 /nfs/dbraw/zinc/58/13/67/969581367.db2.gz 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COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c1F ZINC000794766991 973832038 /nfs/dbraw/zinc/83/20/38/973832038.db2.gz OGQVAAYWXUPOHD-VIFPVBQESA-N -2 3 363.338 1.283 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000794765986 973832274 /nfs/dbraw/zinc/83/22/74/973832274.db2.gz DTQTUDHUPSUGJC-SSDOTTSWSA-N -2 3 360.741 1.975 20 0 FDADHL Cc1nc(Cl)sc1S(=O)(=O)[N-]CC[N-]C(=O)C(F)(F)F ZINC001201769403 975146497 /nfs/dbraw/zinc/14/64/97/975146497.db2.gz WWEZDTZQTYGHMI-UHFFFAOYSA-N -2 3 351.759 1.062 20 0 FDADHL CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001591776781 975926499 /nfs/dbraw/zinc/92/64/99/975926499.db2.gz LURKRSHCEMILFX-CYBMUJFWSA-N -2 3 369.395 1.777 20 0 FDADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591778254 975937737 /nfs/dbraw/zinc/93/77/37/975937737.db2.gz QALWWFFBYYRWCN-CABZTGNLSA-N -2 3 367.345 1.857 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000848676660 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1.008 20 0 FDADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])c1 ZINC000275075876 181231369 /nfs/dbraw/zinc/23/13/69/181231369.db2.gz MBXMMMMQSBIVCW-LLVKDONJSA-N -2 3 373.818 1.056 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1 ZINC000275085180 181233811 /nfs/dbraw/zinc/23/38/11/181233811.db2.gz ZNPSOICVECQKEC-QMMMGPOBSA-N -2 3 366.233 1.989 20 0 FDADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000275118061 181243101 /nfs/dbraw/zinc/24/31/01/181243101.db2.gz SVDQVOABVRAQSA-QMMMGPOBSA-N -2 3 372.624 1.216 20 0 FDADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000275227546 181265032 /nfs/dbraw/zinc/26/50/32/181265032.db2.gz JCEVHFXJLKQZEB-QMMMGPOBSA-N -2 3 371.745 1.513 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000275315096 181288679 /nfs/dbraw/zinc/28/86/79/181288679.db2.gz RTECCCCJJDDXTQ-VIFPVBQESA-N -2 3 370.210 1.678 20 0 FDADHL Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc12 ZINC000536698256 540641066 /nfs/dbraw/zinc/64/10/66/540641066.db2.gz GGECQBPYIMMFQO-UHFFFAOYSA-N -2 3 356.363 1.556 20 0 FDADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc12 ZINC000536698256 540641068 /nfs/dbraw/zinc/64/10/68/540641068.db2.gz GGECQBPYIMMFQO-UHFFFAOYSA-N -2 3 356.363 1.556 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)c1 ZINC000538296041 540838268 /nfs/dbraw/zinc/83/82/68/540838268.db2.gz IQPDWWXFIGMDIE-UHFFFAOYSA-N -2 3 363.395 1.731 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)c1 ZINC000538298832 540838968 /nfs/dbraw/zinc/83/89/68/540838968.db2.gz MXIAVCNOCGCANT-UHFFFAOYSA-N -2 3 371.436 1.914 20 0 FDADHL C[C@@]1(c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000538577748 540869575 /nfs/dbraw/zinc/86/95/75/540869575.db2.gz AGGFCWWMKJWFPU-IBGZPJMESA-N -2 3 367.361 1.621 20 0 FDADHL C[C@]1(c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000538577751 540870021 /nfs/dbraw/zinc/87/00/21/540870021.db2.gz AGGFCWWMKJWFPU-LJQANCHMSA-N -2 3 367.361 1.621 20 0 FDADHL Cc1cc(C(=O)Nc2ccccc2-c2nnc[nH]2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000538898028 540906583 /nfs/dbraw/zinc/90/65/83/540906583.db2.gz QUMIOGHYJCRVIN-UHFFFAOYSA-N -2 3 363.337 1.782 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C ZINC000570564192 549326666 /nfs/dbraw/zinc/32/66/66/549326666.db2.gz IATYGVXAJXZAPA-JOYOIKCWSA-N -2 3 361.391 1.636 20 0 FDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000287287243 183253232 /nfs/dbraw/zinc/25/32/32/183253232.db2.gz SACKQUBNBUXRRQ-UHFFFAOYSA-N -2 3 354.359 1.869 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)on1 ZINC000546960513 542265598 /nfs/dbraw/zinc/26/55/98/542265598.db2.gz UFHFHCOKDJUUNJ-UHFFFAOYSA-N -2 3 368.367 1.185 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(F)cc1C ZINC000297042898 184229217 /nfs/dbraw/zinc/22/92/17/184229217.db2.gz UTAKSHUYALYCDT-SECBINFHSA-N -2 3 369.317 1.307 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000297251814 184250192 /nfs/dbraw/zinc/25/01/92/184250192.db2.gz QRZJOYXZXOAJHJ-MRVPVSSYSA-N -2 3 373.280 1.139 20 0 FDADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000547551779 542371177 /nfs/dbraw/zinc/37/11/77/542371177.db2.gz NJDFRDABKWLEJA-UHFFFAOYSA-N -2 3 357.800 1.845 20 0 FDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C(=O)[O-])n1 ZINC000547552061 542371425 /nfs/dbraw/zinc/37/14/25/542371425.db2.gz AVWWGZNVLSYWHW-ZDUSSCGKSA-N -2 3 359.354 1.210 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547565309 542377142 /nfs/dbraw/zinc/37/71/42/542377142.db2.gz LRZUJYBHLDGFII-XJKSGUPXSA-N -2 3 373.402 1.924 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)oc1C ZINC000547567495 542377423 /nfs/dbraw/zinc/37/74/23/542377423.db2.gz BZRWWJMXNYRWIS-QFYYESIMSA-N -2 3 373.427 1.934 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000547614674 542391896 /nfs/dbraw/zinc/39/18/96/542391896.db2.gz JMKAVUGOBNKFQI-DGCLKSJQSA-N -2 3 359.375 1.773 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(C)o1 ZINC000547587942 542384304 /nfs/dbraw/zinc/38/43/04/542384304.db2.gz AQNXWUMHXHJAKE-SNVBAGLBSA-N -2 3 361.416 1.932 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])cnc2c1Cl ZINC000547639371 542397956 /nfs/dbraw/zinc/39/79/56/542397956.db2.gz PPJIGNRMIWLHCD-QMMMGPOBSA-N -2 3 374.850 1.859 20 0 FDADHL C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000547700473 542422454 /nfs/dbraw/zinc/42/24/54/542422454.db2.gz VLTFNMSRZJPTNF-JTQLQIEISA-N -2 3 372.262 1.262 20 0 FDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2sc(C)nc2C)C(=O)[O-])n1 ZINC000547881923 542475151 /nfs/dbraw/zinc/47/51/51/542475151.db2.gz SYTJCTMOCFDLSY-NSHDSACASA-N -2 3 358.445 1.005 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2sc(C)nc2C)C(=O)[O-])n1 ZINC000547881917 542475528 /nfs/dbraw/zinc/47/55/28/542475528.db2.gz SYTJCTMOCFDLSY-LLVKDONJSA-N -2 3 358.445 1.005 20 0 FDADHL CC[C@H](CC[N-]S(=O)(=O)c1ccco1)[N-]S(=O)(=O)c1ccco1 ZINC000188598169 177871499 /nfs/dbraw/zinc/87/14/99/177871499.db2.gz QCAWCECLCAVBHI-LLVKDONJSA-N -2 3 362.429 1.298 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000547932024 542491619 /nfs/dbraw/zinc/49/16/19/542491619.db2.gz SYKFAQWBPHCIGK-ZDUSSCGKSA-N -3 3 365.791 1.193 20 0 FDADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)C(=O)[O-])cc1 ZINC000548203961 542584248 /nfs/dbraw/zinc/58/42/48/542584248.db2.gz XEZUMHYMWVGXTP-AWEZNQCLSA-N -2 3 367.379 1.733 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])s1 ZINC000548204950 542584993 /nfs/dbraw/zinc/58/49/93/542584993.db2.gz XBEPMLWQZOLJRO-SNVBAGLBSA-N -2 3 355.441 1.322 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548227587 542592626 /nfs/dbraw/zinc/59/26/26/542592626.db2.gz RVGJDIYTSANPIF-ZCFIWIBFSA-N -3 3 373.280 1.298 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000548208575 542586561 /nfs/dbraw/zinc/58/65/61/542586561.db2.gz XWPAJPXGZXVMAY-LLVKDONJSA-N -2 3 359.791 1.046 20 0 FDADHL COc1cccc(CSC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C(=O)[O-])c1 ZINC000548268138 542605996 /nfs/dbraw/zinc/60/59/96/542605996.db2.gz XLNJYPFXPPWPOE-GFCCVEGCSA-N -2 3 371.440 1.083 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c1 ZINC000548238970 542596628 /nfs/dbraw/zinc/59/66/28/542596628.db2.gz RXDUXHFSQVBCMJ-UHFFFAOYSA-N -2 3 351.428 1.758 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(F)cc1F ZINC000548241096 542597965 /nfs/dbraw/zinc/59/79/65/542597965.db2.gz GMYCQNDPUIZMGC-AWEZNQCLSA-N -2 3 371.361 1.953 20 0 FDADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548248249 542599887 /nfs/dbraw/zinc/59/98/87/542599887.db2.gz LAGKMJNRGOCTER-QMMMGPOBSA-N -3 3 373.280 1.441 20 0 FDADHL O=C(NC[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ncccc1[O-] ZINC000548304043 542617434 /nfs/dbraw/zinc/61/74/34/542617434.db2.gz QUMYUHMEDJPWSG-CHWSQXEVSA-N -2 3 370.409 1.606 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])nc1C ZINC000548542652 542696760 /nfs/dbraw/zinc/69/67/60/542696760.db2.gz BSJHJNPYBLLKKK-OAHLLOKOSA-N -2 3 365.455 1.742 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000548555192 542701387 /nfs/dbraw/zinc/70/13/87/542701387.db2.gz DPKZYQUPWHCFSO-AWEZNQCLSA-N -2 3 352.412 1.822 20 0 FDADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N(C)CCOC ZINC000548588339 542711799 /nfs/dbraw/zinc/71/17/99/542711799.db2.gz LZQIYLXKTHZQFW-UHFFFAOYSA-N -2 3 350.368 1.158 20 0 FDADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548770018 542775451 /nfs/dbraw/zinc/77/54/51/542775451.db2.gz TXYJNPRWPWCKLZ-SECBINFHSA-N -2 3 364.301 1.668 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000548836996 542788751 /nfs/dbraw/zinc/78/87/51/542788751.db2.gz KDFRQBJJGMECQP-QFYYESIMSA-N -2 3 373.402 1.924 20 0 FDADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1F ZINC000549520291 542895008 /nfs/dbraw/zinc/89/50/08/542895008.db2.gz NQEVGHURTCOVCR-DZGCQCFKSA-N -2 3 359.419 1.889 20 0 FDADHL CCc1oc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1C(=O)[O-] ZINC000549935570 542971461 /nfs/dbraw/zinc/97/14/61/542971461.db2.gz FLWMEYHTOGJIBU-GOSISDBHSA-N -2 3 371.349 1.847 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c(C)c1Cl ZINC000278700517 258507361 /nfs/dbraw/zinc/50/73/61/258507361.db2.gz NHBFBCZRLYABDN-RXMQYKEDSA-N -2 3 355.821 1.638 20 0 FDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-])C1CC1 ZINC000554665464 543847770 /nfs/dbraw/zinc/84/77/70/543847770.db2.gz MDAJDHAAQOMXRS-RDDDGLTNSA-N -2 3 363.233 1.622 20 0 FDADHL CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000554912955 543890438 /nfs/dbraw/zinc/89/04/38/543890438.db2.gz BAGIUDVTJWMIPQ-NSHDSACASA-N -2 3 368.477 1.370 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(F)c1 ZINC000332372017 259260909 /nfs/dbraw/zinc/26/09/09/259260909.db2.gz VZNIPGYSRHUUDN-JTQLQIEISA-N -2 3 366.436 1.045 20 0 FDADHL Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)[C@H]3CCCOC3)cc2)n1 ZINC000372317428 260845189 /nfs/dbraw/zinc/84/51/89/260845189.db2.gz WNCJSJZDVMOQKJ-ZDUSSCGKSA-N -2 3 365.411 1.706 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000031665602 519452987 /nfs/dbraw/zinc/45/29/87/519452987.db2.gz BOENOHQZNAGQIH-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000036838331 519628113 /nfs/dbraw/zinc/62/81/13/519628113.db2.gz OMNMJBURDVIDGP-SECBINFHSA-N -2 3 366.233 1.989 20 0 FDADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000045713105 522141371 /nfs/dbraw/zinc/14/13/71/522141371.db2.gz TUWQQOXNCUNUMP-UHFFFAOYSA-N -2 3 354.771 1.938 20 0 FDADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NC1CCCC1 ZINC000065832941 522898330 /nfs/dbraw/zinc/89/83/30/522898330.db2.gz DYOTYNWSVPJVQI-UHFFFAOYSA-N -3 3 369.443 1.943 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138865 523333047 /nfs/dbraw/zinc/33/30/47/523333047.db2.gz HCGDTAJRLLSFQY-QMMMGPOBSA-N -2 3 373.818 1.956 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075645 523682801 /nfs/dbraw/zinc/68/28/01/523682801.db2.gz AOKYCODPVSRFAF-UHFFFAOYSA-N -2 3 368.436 1.889 20 0 FDADHL CNC(=O)c1sc2[n-]c(Cc3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000054752897 523687983 /nfs/dbraw/zinc/68/79/83/523687983.db2.gz BPSGEBICDDJYOH-UHFFFAOYSA-N -2 3 357.391 1.942 20 0 FDADHL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216017 523730800 /nfs/dbraw/zinc/73/08/00/523730800.db2.gz VVPQKGNIVOZGAR-UHFFFAOYSA-N -2 3 374.378 1.122 20 0 FDADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216481 523732925 /nfs/dbraw/zinc/73/29/25/523732925.db2.gz VZCYCRPALOGZMX-UHFFFAOYSA-N -2 3 373.390 1.638 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000164804209 525532541 /nfs/dbraw/zinc/53/25/41/525532541.db2.gz CWDALLVGBVLWFR-UHFFFAOYSA-N -2 3 365.806 1.222 20 0 FDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000164804209 525532545 /nfs/dbraw/zinc/53/25/45/525532545.db2.gz CWDALLVGBVLWFR-UHFFFAOYSA-N -2 3 365.806 1.222 20 0 FDADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000133256877 526041225 /nfs/dbraw/zinc/04/12/25/526041225.db2.gz YNUCMHIUCMBKMT-SFYZADRCSA-N -2 3 366.233 1.845 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCN2CCC(C)CC2)c1 ZINC000184916660 536190968 /nfs/dbraw/zinc/19/09/68/536190968.db2.gz CBDDMLHZNGAGJQ-UHFFFAOYSA-N -2 3 358.435 1.843 20 0 FDADHL O=S(=O)([N-][C@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)CC1)c1ccco1 ZINC000188786766 536948778 /nfs/dbraw/zinc/94/87/78/536948778.db2.gz BHFMTTOUCUKBTG-TXEJJXNPSA-N -2 3 374.440 1.441 20 0 FDADHL C[C@@]1(c2cccc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O ZINC000263445863 537032523 /nfs/dbraw/zinc/03/25/23/537032523.db2.gz QXNAJQNPEDTDSU-FASAQXTFSA-N -2 3 371.393 1.068 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])c[nH]1 ZINC000290683427 537388111 /nfs/dbraw/zinc/38/81/11/537388111.db2.gz QHEQHUOIRLKXCE-GFCCVEGCSA-N -2 3 355.441 1.632 20 0 FDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000217102280 537453247 /nfs/dbraw/zinc/45/32/47/537453247.db2.gz GSCNVFZAKMGXSV-NSHDSACASA-N -2 3 351.222 1.623 20 0 FDADHL CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000273776050 537499891 /nfs/dbraw/zinc/49/98/91/537499891.db2.gz RSHSZQCENNAFMV-UHFFFAOYSA-N -2 3 362.379 1.327 20 0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)c1F ZINC000273779664 537500449 /nfs/dbraw/zinc/50/04/49/537500449.db2.gz YRBZGYTXNDFEDL-VIFPVBQESA-N -2 3 360.407 1.414 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000310468864 537606338 /nfs/dbraw/zinc/60/63/38/537606338.db2.gz VWWGFVBWPVOIIH-AWEZNQCLSA-N -2 3 364.423 1.921 20 0 FDADHL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cnn1C ZINC000314213327 537607392 /nfs/dbraw/zinc/60/73/92/537607392.db2.gz VGFDOOWCOHZAJN-UHFFFAOYSA-N -2 3 374.216 1.990 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000324745549 537620557 /nfs/dbraw/zinc/62/05/57/537620557.db2.gz POCQOIRVOYKKRN-NSHDSACASA-N -2 3 369.420 1.681 20 0 FDADHL C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H](C)C(=O)[O-] ZINC000294460731 537699527 /nfs/dbraw/zinc/69/95/27/537699527.db2.gz AEODPAJWJDRZML-VHSXEESVSA-N -2 3 374.434 1.742 20 0 FDADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000388089677 537764584 /nfs/dbraw/zinc/76/45/84/537764584.db2.gz CVCXVZDLHQLSGS-MRVPVSSYSA-N -3 3 370.210 1.816 20 0 FDADHL Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)C)[nH][n-]2)c1 ZINC000416253121 537780185 /nfs/dbraw/zinc/78/01/85/537780185.db2.gz QMHJCTCGIGEVLD-HNNXBMFYSA-N -2 3 368.434 2.037 20 0 FDADHL COc1cc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)cc1Cl ZINC000369961696 538082453 /nfs/dbraw/zinc/08/24/53/538082453.db2.gz LVHKWFVBYZEMRP-UHFFFAOYSA-N -2 3 356.183 1.134 20 0 FDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000444229827 538132921 /nfs/dbraw/zinc/13/29/21/538132921.db2.gz XXXZMQNZUHNANH-ZJUUUORDSA-N -2 3 350.437 1.664 20 0 FDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000444229826 538132989 /nfs/dbraw/zinc/13/29/89/538132989.db2.gz XXXZMQNZUHNANH-VHSXEESVSA-N -2 3 350.437 1.664 20 0 FDADHL Cc1cnc(C(=O)NCCCCN(C)C(=O)c2ncc(C)cc2[O-])c([O-])c1 ZINC000427657669 538225467 /nfs/dbraw/zinc/22/54/67/538225467.db2.gz RGLLFOLEKTWAGB-UHFFFAOYSA-N -2 3 372.425 1.787 20 0 FDADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cc4nnn[n-]4)cc3)cc2o1 ZINC000481595391 538532997 /nfs/dbraw/zinc/53/29/97/538532997.db2.gz UCMCUOOKPNRELF-UHFFFAOYSA-N -2 3 372.366 1.438 20 0 FDADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cc4nn[n-]n4)cc3)cc2o1 ZINC000481595391 538533004 /nfs/dbraw/zinc/53/30/04/538533004.db2.gz UCMCUOOKPNRELF-UHFFFAOYSA-N -2 3 372.366 1.438 20 0 FDADHL C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485876397 538853043 /nfs/dbraw/zinc/85/30/43/538853043.db2.gz RPMAAZHLJWFXBJ-SNVBAGLBSA-N -2 3 366.370 1.829 20 0 FDADHL Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000476075256 538854720 /nfs/dbraw/zinc/85/47/20/538854720.db2.gz QNVNDVIYBDLHOK-UHFFFAOYSA-N -2 3 357.417 1.411 20 0 FDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-])C1CC1 ZINC000560889275 545627055 /nfs/dbraw/zinc/62/70/55/545627055.db2.gz YKEDVNNDTUFELQ-QTTZVWFDSA-N -2 3 358.347 1.038 20 0 FDADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@@H]3C(=O)[O-])cc(C3CC3)nc21 ZINC000562231604 546062622 /nfs/dbraw/zinc/06/26/22/546062622.db2.gz LKAFHHCKFITMEC-GFCCVEGCSA-N -2 3 372.381 1.084 20 0 FDADHL CCCN(CC(=O)[O-])C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000562463945 546147860 /nfs/dbraw/zinc/14/78/60/546147860.db2.gz JZJHCZSFQOFBTB-UHFFFAOYSA-N -2 3 373.406 1.595 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])cc1Cl ZINC000562966893 546333708 /nfs/dbraw/zinc/33/37/08/546333708.db2.gz KNYUKPHQWVHMLR-NKWVEPMBSA-N -2 3 366.798 1.825 20 0 FDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000562998674 546348547 /nfs/dbraw/zinc/34/85/47/546348547.db2.gz BDQJUFXAHIBOBT-FKQCQYRASA-N -2 3 352.181 1.730 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O ZINC000563070978 546385353 /nfs/dbraw/zinc/38/53/53/546385353.db2.gz QDDQFDKZLWMDAQ-QMMMGPOBSA-N -2 3 351.446 1.530 20 0 FDADHL COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC000563073006 546386935 /nfs/dbraw/zinc/38/69/35/546386935.db2.gz PUCDQFCYSYYZFP-SECBINFHSA-N -2 3 356.425 1.759 20 0 FDADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000564208541 546844386 /nfs/dbraw/zinc/84/43/86/546844386.db2.gz JEAJCLMHCVMZLB-UONOGXRCSA-N -2 3 365.411 1.615 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CCOC1 ZINC000564638160 546981352 /nfs/dbraw/zinc/98/13/52/546981352.db2.gz YMAMJGMTKOHFBZ-MUWHJKNJSA-N -2 3 359.347 1.535 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000564924274 547107686 /nfs/dbraw/zinc/10/76/86/547107686.db2.gz YYHVKXAKFPHGGA-UHFFFAOYSA-N -2 3 364.423 1.623 20 0 FDADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cs1 ZINC000566177045 547642401 /nfs/dbraw/zinc/64/24/01/547642401.db2.gz PVIGXFKUUVHGIF-UHFFFAOYSA-N -2 3 358.416 1.950 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(OC)c2)nc1C ZINC000566177360 547642464 /nfs/dbraw/zinc/64/24/64/547642464.db2.gz HASDHUWPBKMDDO-UHFFFAOYSA-N -2 3 353.400 1.397 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000567606837 548179240 /nfs/dbraw/zinc/17/92/40/548179240.db2.gz XZFATLFHOFNWNO-SNVBAGLBSA-N -2 3 359.791 1.046 20 0 FDADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000568247327 548457642 /nfs/dbraw/zinc/45/76/42/548457642.db2.gz JGPOTUHABUPYLY-SNVBAGLBSA-N -2 3 356.444 1.901 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000568726420 548651921 /nfs/dbraw/zinc/65/19/21/548651921.db2.gz FWTNXXKPKOHGRT-CQSZACIVSA-N -2 3 352.412 1.882 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000568957058 548742422 /nfs/dbraw/zinc/74/24/22/548742422.db2.gz UOAWPEFSVCFVKQ-SFYZADRCSA-N -2 3 366.233 1.845 20 0 FDADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CCC(F)(F)F ZINC000569489848 548937240 /nfs/dbraw/zinc/93/72/40/548937240.db2.gz OUFADBSYEJCXSP-QWRGUYRKSA-N -2 3 361.382 1.643 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(=O)[O-] ZINC000569955582 549108277 /nfs/dbraw/zinc/10/82/77/549108277.db2.gz RZTGXYSJPPWGDZ-QMMMGPOBSA-N -2 3 357.306 1.195 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000571041770 549503724 /nfs/dbraw/zinc/50/37/24/549503724.db2.gz XSILTTVNSLTVIO-NXEZZACHSA-N -2 3 359.400 1.408 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])c1ccc(C)o1 ZINC000571044225 549504803 /nfs/dbraw/zinc/50/48/03/549504803.db2.gz RKOAOYMJMKHTNR-NSHDSACASA-N -2 3 354.384 1.737 20 0 FDADHL COCCn1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CCC2 ZINC000571996490 549819671 /nfs/dbraw/zinc/81/96/71/549819671.db2.gz CXBFVPFJLKMMPL-LLVKDONJSA-N -2 3 369.399 1.177 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])s1 ZINC000573973367 550240429 /nfs/dbraw/zinc/24/04/29/550240429.db2.gz UMVOVFZXOUNOIG-SNVBAGLBSA-N -2 3 361.445 1.413 20 0 FDADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-] ZINC000574662726 550350457 /nfs/dbraw/zinc/35/04/57/550350457.db2.gz PMPDNSYQOFVOOQ-SSDOTTSWSA-N -2 3 360.363 1.428 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@H](O)Cc1ccccc1 ZINC000575826111 550479975 /nfs/dbraw/zinc/47/99/75/550479975.db2.gz KLUXOHHAJYQOIB-ZIAGYGMSSA-N -2 3 370.814 1.070 20 0 FDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000576030112 550503264 /nfs/dbraw/zinc/50/32/64/550503264.db2.gz NSKPNOAFYSPPMO-LJGSYFOKSA-N -2 3 357.281 1.866 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c1 ZINC000576515602 550557766 /nfs/dbraw/zinc/55/77/66/550557766.db2.gz UFOZDLXJYRAPGH-GFCCVEGCSA-N -2 3 355.437 1.891 20 0 FDADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000577593459 550673022 /nfs/dbraw/zinc/67/30/22/550673022.db2.gz PDGWQYLXSITCLU-JTQLQIEISA-N -2 3 363.848 1.856 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2cc(F)cc3c2OCOC3)c1 ZINC000579105983 550836163 /nfs/dbraw/zinc/83/61/63/550836163.db2.gz LYLFZADFGGFNIR-UHFFFAOYSA-N -2 3 371.342 1.504 20 0 FDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000579717644 550903057 /nfs/dbraw/zinc/90/30/57/550903057.db2.gz FZPVRLOHVHDVKL-QMMMGPOBSA-N -2 3 372.624 1.216 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000580141397 550947060 /nfs/dbraw/zinc/94/70/60/550947060.db2.gz MYGBMFIHKOYDCQ-SECBINFHSA-N -2 3 370.196 1.356 20 0 FDADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000581307912 551074652 /nfs/dbraw/zinc/07/46/52/551074652.db2.gz KWFUBROVVIHKJM-UHFFFAOYSA-N -2 3 369.468 1.941 20 0 FDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)o1 ZINC000581941770 551152853 /nfs/dbraw/zinc/15/28/53/551152853.db2.gz CVFAWWAKYBFWFW-UHFFFAOYSA-N -2 3 363.351 1.870 20 0 FDADHL CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000582624271 551249282 /nfs/dbraw/zinc/24/92/82/551249282.db2.gz ITXHSSYEKSYJMN-BXKDBHETSA-N -2 3 367.431 1.080 20 0 FDADHL CCO[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000583562362 551369593 /nfs/dbraw/zinc/36/95/93/551369593.db2.gz OZEPRSHIIPNUCW-NSHDSACASA-N -2 3 356.425 1.897 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000583597318 551374764 /nfs/dbraw/zinc/37/47/64/551374764.db2.gz FNFSBJWSJMRIFS-UHFFFAOYSA-N -2 3 362.379 1.674 20 0 FDADHL COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000584410916 551492998 /nfs/dbraw/zinc/49/29/98/551492998.db2.gz YJKCSQNTITVPJX-ZANVPECISA-N -2 3 369.399 1.171 20 0 FDADHL COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000584837256 551557294 /nfs/dbraw/zinc/55/72/94/551557294.db2.gz ANWRMAJVRADEOZ-SNVBAGLBSA-N -2 3 355.368 1.732 20 0 FDADHL O=C(Cn1cnc(=NC(=O)c2cc3ccsc3[n-]2)[n-]1)N1CCCCCC1 ZINC000588657375 551673254 /nfs/dbraw/zinc/67/32/54/551673254.db2.gz FZONSPKCXMKOKB-UHFFFAOYSA-N -2 3 372.454 2.476 20 0 FDADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000592450733 551997652 /nfs/dbraw/zinc/99/76/52/551997652.db2.gz OTGTVSNMOWTUOX-WDEREUQCSA-N -2 3 361.489 1.513 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000593254899 552077444 /nfs/dbraw/zinc/07/74/44/552077444.db2.gz WOONLTWCAHGJQH-JTQLQIEISA-N -2 3 351.421 1.709 20 0 FDADHL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000594572805 552334958 /nfs/dbraw/zinc/33/49/58/552334958.db2.gz CMTWDOCZZWFYPQ-LLVKDONJSA-N -2 3 367.782 1.608 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000594574660 552335763 /nfs/dbraw/zinc/33/57/63/552335763.db2.gz HEMZUOJVLOVYLW-SECBINFHSA-N -2 3 351.421 1.709 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c(F)c1 ZINC000596025222 552645628 /nfs/dbraw/zinc/64/56/28/552645628.db2.gz RRVNRKGWOPYPKC-NSHDSACASA-N -2 3 359.375 1.392 20 0 FDADHL CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616395 553104064 /nfs/dbraw/zinc/10/40/64/553104064.db2.gz GKJBIOUINOBCSQ-UWVGGRQHSA-N -2 3 368.411 1.433 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(=O)[O-] ZINC000599932651 553176220 /nfs/dbraw/zinc/17/62/20/553176220.db2.gz RYGIOQQPOWAFQY-UHFFFAOYSA-N -2 3 351.380 1.865 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)n[n-]1 ZINC000618291075 555605696 /nfs/dbraw/zinc/60/56/96/555605696.db2.gz GZKUWFJCEUTTMA-UHFFFAOYSA-N -2 3 362.361 1.846 20 0 FDADHL CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)[n-]1 ZINC000618291075 555605698 /nfs/dbraw/zinc/60/56/98/555605698.db2.gz GZKUWFJCEUTTMA-UHFFFAOYSA-N -2 3 362.361 1.846 20 0 FDADHL CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)n1 ZINC000618291075 555605699 /nfs/dbraw/zinc/60/56/99/555605699.db2.gz GZKUWFJCEUTTMA-UHFFFAOYSA-N -2 3 362.361 1.846 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])[n-]1 ZINC000618919651 555696084 /nfs/dbraw/zinc/69/60/84/555696084.db2.gz KZYGFLOZHSTSNL-UHFFFAOYSA-N -2 3 359.317 1.869 20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c[n-]1 ZINC000618919651 555696087 /nfs/dbraw/zinc/69/60/87/555696087.db2.gz KZYGFLOZHSTSNL-UHFFFAOYSA-N -2 3 359.317 1.869 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCCC2)C(=O)[O-])c(F)c1F ZINC000629296521 557755534 /nfs/dbraw/zinc/75/55/34/557755534.db2.gz GZKCCARSUUCERU-LLVKDONJSA-N -2 3 362.398 1.491 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1nc(C(=O)[O-])cs1 ZINC000629309386 557759592 /nfs/dbraw/zinc/75/95/92/557759592.db2.gz GOEXKHGMJOUYKM-IUCAKERBSA-N -2 3 372.428 1.039 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)cc1C(=O)[O-] ZINC000629332178 557766547 /nfs/dbraw/zinc/76/65/47/557766547.db2.gz AIBMZWXWASPMMJ-ZDUSSCGKSA-N -2 3 351.380 1.706 20 0 FDADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000629341294 557769855 /nfs/dbraw/zinc/76/98/55/557769855.db2.gz WQAQTIZWYFLIKY-ZYHUDNBSSA-N -2 3 361.391 1.383 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235777 557890515 /nfs/dbraw/zinc/89/05/15/557890515.db2.gz IEUBYXWCBIZNJL-CYBMUJFWSA-N -2 3 367.427 1.769 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@@H]1CCOC1 ZINC000630414519 557906941 /nfs/dbraw/zinc/90/69/41/557906941.db2.gz UXMQDTIUJCFUFD-MUWHJKNJSA-N -2 3 370.246 1.279 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCCO1 ZINC000630422154 557908010 /nfs/dbraw/zinc/90/80/10/557908010.db2.gz KNAHWTJGJJZJFM-KOLCDFICSA-N -2 3 371.308 1.755 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000319050347 568589141 /nfs/dbraw/zinc/58/91/41/568589141.db2.gz LUNHHXKTTYZCLN-MRVPVSSYSA-N -3 3 370.210 1.980 20 0 FDADHL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736655695 598948282 /nfs/dbraw/zinc/94/82/82/598948282.db2.gz DDDFUQIAXCVTMP-UHFFFAOYSA-N -2 3 360.399 1.770 20 0 FDADHL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736655695 598948283 /nfs/dbraw/zinc/94/82/83/598948283.db2.gz DDDFUQIAXCVTMP-UHFFFAOYSA-N -2 3 360.399 1.770 20 0 FDADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736461853 598977722 /nfs/dbraw/zinc/97/77/22/598977722.db2.gz ZFQIMHMGCGMORW-NSHDSACASA-N -2 3 367.431 1.185 20 0 FDADHL CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736461853 598977724 /nfs/dbraw/zinc/97/77/24/598977724.db2.gz ZFQIMHMGCGMORW-NSHDSACASA-N -2 3 367.431 1.185 20 0 FDADHL CCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000736697215 599029499 /nfs/dbraw/zinc/02/94/99/599029499.db2.gz BGQUJFRXTDVJHS-UHFFFAOYSA-N -2 3 350.429 1.995 20 0 FDADHL CCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000736697215 599029500 /nfs/dbraw/zinc/02/95/00/599029500.db2.gz BGQUJFRXTDVJHS-UHFFFAOYSA-N -2 3 350.429 1.995 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000737297884 599156735 /nfs/dbraw/zinc/15/67/35/599156735.db2.gz DLDRNXDSNKLLOV-SNVBAGLBSA-N -2 3 351.432 1.662 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000737297884 599156739 /nfs/dbraw/zinc/15/67/39/599156739.db2.gz DLDRNXDSNKLLOV-SNVBAGLBSA-N -2 3 351.432 1.662 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000738338949 599198845 /nfs/dbraw/zinc/19/88/45/599198845.db2.gz KRFNSUJKAOISGJ-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000738338949 599198847 /nfs/dbraw/zinc/19/88/47/599198847.db2.gz KRFNSUJKAOISGJ-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC000735977567 599218154 /nfs/dbraw/zinc/21/81/54/599218154.db2.gz UEYNLTMJNPMETJ-LLVKDONJSA-N -2 3 360.399 1.124 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000735977567 599218157 /nfs/dbraw/zinc/21/81/57/599218157.db2.gz UEYNLTMJNPMETJ-LLVKDONJSA-N -2 3 360.399 1.124 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CCC(=O)[O-])cc1OC ZINC000737889349 596983017 /nfs/dbraw/zinc/98/30/17/596983017.db2.gz CPDIASOBSDGTJP-UHFFFAOYSA-N -2 3 359.404 1.395 20 0 FDADHL CC(=O)NCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H](C)C(=O)[O-] ZINC000819780229 597676464 /nfs/dbraw/zinc/67/64/64/597676464.db2.gz GERAXRAAZFEDDH-JTQLQIEISA-N -2 3 372.381 1.493 20 0 FDADHL Cc1ccccc1S([O-])=CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737432418 598492699 /nfs/dbraw/zinc/49/26/99/598492699.db2.gz XJCBIJICJNCCME-RUZDIDTESA-N -2 3 355.423 1.599 20 0 FDADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC000736947768 598663122 /nfs/dbraw/zinc/66/31/22/598663122.db2.gz FJJZKJJRVXYJRW-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC000736947768 598663123 /nfs/dbraw/zinc/66/31/23/598663123.db2.gz FJJZKJJRVXYJRW-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735550842 599616853 /nfs/dbraw/zinc/61/68/53/599616853.db2.gz LZRAGDOPNBMPKY-SECBINFHSA-N -2 3 363.424 1.537 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735550842 599616855 /nfs/dbraw/zinc/61/68/55/599616855.db2.gz LZRAGDOPNBMPKY-SECBINFHSA-N -2 3 363.424 1.537 20 0 FDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820691786 599619941 /nfs/dbraw/zinc/61/99/41/599619941.db2.gz ZJAOUSUOPMOPCD-ZYHUDNBSSA-N -2 3 365.415 1.019 20 0 FDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820691786 599619942 /nfs/dbraw/zinc/61/99/42/599619942.db2.gz ZJAOUSUOPMOPCD-ZYHUDNBSSA-N -2 3 365.415 1.019 20 0 FDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)N2CCCC2)o1 ZINC000738569000 599776960 /nfs/dbraw/zinc/77/69/60/599776960.db2.gz BKTUTYFSOJTLOJ-LBPRGKRZSA-N -2 3 368.411 1.995 20 0 FDADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000737717230 599816104 /nfs/dbraw/zinc/81/61/04/599816104.db2.gz JHHHYWHEMSPDBI-UHFFFAOYSA-N -2 3 358.353 1.134 20 0 FDADHL O=C([O-])CCOc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000739739985 600161622 /nfs/dbraw/zinc/16/16/22/600161622.db2.gz NQBOKTGQGOFRGD-UHFFFAOYSA-N -2 3 358.350 1.614 20 0 FDADHL CCN(CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccc(C)c1 ZINC000737102947 600230490 /nfs/dbraw/zinc/23/04/90/600230490.db2.gz DGSLGMXSUMVRFR-UHFFFAOYSA-N -2 3 366.443 1.530 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(F)c1 ZINC000740155303 600236929 /nfs/dbraw/zinc/23/69/29/600236929.db2.gz QXIHSJCMWKLKLK-UHFFFAOYSA-N -2 3 351.311 1.995 20 0 FDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000739525918 600319861 /nfs/dbraw/zinc/31/98/61/600319861.db2.gz FCFKVSCERPCCKP-GJZGRUSLSA-N -2 3 372.421 1.710 20 0 FDADHL CN(Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1)C(=O)[O-] ZINC000737485249 600331320 /nfs/dbraw/zinc/33/13/20/600331320.db2.gz DXADBGYMKMPURD-UHFFFAOYSA-N -2 3 353.334 1.932 20 0 FDADHL O=C([O-])CCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739753001 600510513 /nfs/dbraw/zinc/51/05/13/600510513.db2.gz MALDGHRVPNPFIX-UHFFFAOYSA-N -2 3 360.341 1.803 20 0 FDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1 ZINC000326652817 600626146 /nfs/dbraw/zinc/62/61/46/600626146.db2.gz GSLASNZJVOQUMN-UHFFFAOYSA-N -2 3 358.379 1.695 20 0 FDADHL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738379076 600633125 /nfs/dbraw/zinc/63/31/25/600633125.db2.gz KWFIMVUEKUJXAE-UHFFFAOYSA-N -2 3 360.399 1.776 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)o1 ZINC000739309861 600652439 /nfs/dbraw/zinc/65/24/39/600652439.db2.gz UFZFWNVIZSQGLC-UHFFFAOYSA-N -2 3 373.770 1.653 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1C(=O)[O-] ZINC000525330205 600678316 /nfs/dbraw/zinc/67/83/16/600678316.db2.gz HJKKHGWEAPWOPQ-UHFFFAOYSA-N -2 3 351.380 1.995 20 0 FDADHL O=C([O-])CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000653322041 601439270 /nfs/dbraw/zinc/43/92/70/601439270.db2.gz IMALSLRENKUQMZ-UHFFFAOYSA-N -2 3 366.848 1.193 20 0 FDADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000751143445 601485877 /nfs/dbraw/zinc/48/58/77/601485877.db2.gz XWKVGRAQNMNRBY-UHFFFAOYSA-N -2 3 374.777 1.985 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1F ZINC000831029583 601624626 /nfs/dbraw/zinc/62/46/26/601624626.db2.gz XJXSADPBZJDWTK-LLVKDONJSA-N -2 3 370.402 1.061 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1F ZINC000826980562 601635004 /nfs/dbraw/zinc/63/50/04/601635004.db2.gz PYUSJUWNFYHVEI-UHFFFAOYSA-N -2 3 358.391 1.202 20 0 FDADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000832992190 601712663 /nfs/dbraw/zinc/71/26/63/601712663.db2.gz AXVWNMTYDOHFTQ-SFHVURJKSA-N -2 3 374.372 1.510 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)ccc1F ZINC000831029104 601756534 /nfs/dbraw/zinc/75/65/34/601756534.db2.gz GPDUZQZSGXKBDZ-UHFFFAOYSA-N -2 3 368.342 1.390 20 0 FDADHL COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])n1 ZINC000832583398 601797229 /nfs/dbraw/zinc/79/72/29/601797229.db2.gz UWQARECKCXTSKV-ZJUUUORDSA-N -2 3 369.399 1.446 20 0 FDADHL O=C([O-])NC1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCCCC1 ZINC000740546877 602004606 /nfs/dbraw/zinc/00/46/06/602004606.db2.gz AHHAHECDKPSKNS-UHFFFAOYSA-N -2 3 360.370 1.662 20 0 FDADHL COc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1NC(=O)[O-] ZINC000739923484 602062959 /nfs/dbraw/zinc/06/29/59/602062959.db2.gz SBRGHWMLVQNKNA-UHFFFAOYSA-N -2 3 359.338 1.859 20 0 FDADHL CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313088 602140260 /nfs/dbraw/zinc/14/02/60/602140260.db2.gz UUBNOQQXRLVGNQ-UHFFFAOYSA-N -2 3 356.194 1.445 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(Br)o1 ZINC000055329675 602146988 /nfs/dbraw/zinc/14/69/88/602146988.db2.gz VRRJAIGBHCVOKI-SSDOTTSWSA-N -2 3 368.205 1.445 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000381673987 602160106 /nfs/dbraw/zinc/16/01/06/602160106.db2.gz IHHUWNHVDPPEFD-MRVPVSSYSA-N -2 3 370.221 1.690 20 0 FDADHL Cn1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000231764099 602161606 /nfs/dbraw/zinc/16/16/06/602161606.db2.gz XEVHBBNVCGRXSZ-UHFFFAOYSA-N -2 3 363.189 1.557 20 0 FDADHL C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000485885127 602253588 /nfs/dbraw/zinc/25/35/88/602253588.db2.gz YZAIJFQUZBPMKG-SNVBAGLBSA-N -2 3 366.370 1.829 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1C(N)=O ZINC000740289859 602653395 /nfs/dbraw/zinc/65/33/95/602653395.db2.gz KPRQSXWELSQOGJ-UHFFFAOYSA-N -2 3 356.335 1.154 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C2CC2)c1 ZINC000739794650 602707399 /nfs/dbraw/zinc/70/73/99/602707399.db2.gz XTTPDBYCBRNRLA-CYBMUJFWSA-N -2 3 362.429 1.249 20 0 FDADHL O=C([O-])NCCOc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000832672618 603399956 /nfs/dbraw/zinc/39/99/56/603399956.db2.gz RYYNZDMNXXHWEC-CQSZACIVSA-N -2 3 358.416 1.644 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)oc1C ZINC000828760852 603491744 /nfs/dbraw/zinc/49/17/44/603491744.db2.gz JAKOJJIGGYMDNY-GXSJLCMTSA-N -2 3 374.415 1.431 20 0 FDADHL CC(C)[C@@H](CCN(C)C(=O)CNC(=O)c1ccc([O-])cc1)NC(=O)[O-] ZINC000824077627 603606713 /nfs/dbraw/zinc/60/67/13/603606713.db2.gz FGLHIYRDUWDBHH-CQSZACIVSA-N -2 3 351.403 1.263 20 0 FDADHL C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCN1C(=O)[O-] ZINC000825974403 603875202 /nfs/dbraw/zinc/87/52/02/603875202.db2.gz INMCMOCGHJQKIM-OCCSQVGLSA-N -2 3 361.398 1.208 20 0 FDADHL CC(C)[C@@H](CCN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[O-] ZINC000824086252 604240527 /nfs/dbraw/zinc/24/05/27/604240527.db2.gz UJCRVHWRGMBWAD-CYBMUJFWSA-N 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ZINC000833747429 605169708 /nfs/dbraw/zinc/16/97/08/605169708.db2.gz YDVPYWZYIQYPNE-UHFFFAOYSA-N -2 3 351.380 1.865 20 0 FDADHL CC(C)CNC(=O)N1CCC[C@H](CC(=O)[N-]OC[C@@H](C)NC(=O)[O-])C1 ZINC000833796146 605399933 /nfs/dbraw/zinc/39/99/33/605399933.db2.gz IRSHSVNKLDVDMO-CHWSQXEVSA-N -2 3 358.439 1.158 20 0 FDADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000834076717 605427639 /nfs/dbraw/zinc/42/76/39/605427639.db2.gz CPODYBCVHYLABF-ZETCQYMHSA-N -2 3 354.215 1.667 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)NC(=O)[O-] ZINC000824803650 605493888 /nfs/dbraw/zinc/49/38/88/605493888.db2.gz SSBNTHGNLOIJFR-ZETCQYMHSA-N -2 3 369.212 1.913 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833935405 605690200 /nfs/dbraw/zinc/69/02/00/605690200.db2.gz GOXMDEWKLNDPLK-NSHDSACASA-N -2 3 374.353 1.423 20 0 FDADHL C[C@@H](C(=O)Nc1n[n-]c(SCCO)n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833788595 605950866 /nfs/dbraw/zinc/95/08/66/605950866.db2.gz BEOBEKUESBOGNA-MWLCHTKSSA-N -2 3 365.415 1.473 20 0 FDADHL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834285495 605956885 /nfs/dbraw/zinc/95/68/85/605956885.db2.gz OQGOPXWLIQACRJ-GFCCVEGCSA-N -2 3 374.315 1.876 20 0 FDADHL O=C([O-])N1CC(OCCC(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000833992490 606111034 /nfs/dbraw/zinc/11/10/34/606111034.db2.gz BVVDEDNVENIQSR-UHFFFAOYSA-N -2 3 359.176 1.862 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1C ZINC000821668038 606163162 /nfs/dbraw/zinc/16/31/62/606163162.db2.gz MDQVVOISHMOIBD-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823285405 606206089 /nfs/dbraw/zinc/20/60/89/606206089.db2.gz SHTLSMDUTHAEHR-WDNDVIMCSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823285405 606206090 /nfs/dbraw/zinc/20/60/90/606206090.db2.gz SHTLSMDUTHAEHR-WDNDVIMCSA-N -2 3 361.427 1.249 20 0 FDADHL CCCc1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000821143047 606468801 /nfs/dbraw/zinc/46/88/01/606468801.db2.gz PRAAFLXNFJTKIN-UHFFFAOYSA-N -2 3 365.444 1.780 20 0 FDADHL CCCc1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821143047 606468803 /nfs/dbraw/zinc/46/88/03/606468803.db2.gz PRAAFLXNFJTKIN-UHFFFAOYSA-N -2 3 365.444 1.780 20 0 FDADHL C[C@H]1CCCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000820708991 606707640 /nfs/dbraw/zinc/70/76/40/606707640.db2.gz BICUGNABQRNKSN-JTQLQIEISA-N -2 3 368.467 1.207 20 0 FDADHL C[C@H]1CCCN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000820708991 606707641 /nfs/dbraw/zinc/70/76/41/606707641.db2.gz BICUGNABQRNKSN-JTQLQIEISA-N -2 3 368.467 1.207 20 0 FDADHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822210694 607025956 /nfs/dbraw/zinc/02/59/56/607025956.db2.gz NPYUIQJCGBQQBR-UHFFFAOYSA-N -2 3 368.325 1.355 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1OC ZINC000821846661 607026416 /nfs/dbraw/zinc/02/64/16/607026416.db2.gz XGDVOPCEHYSJKO-UHFFFAOYSA-N -2 3 368.400 1.141 20 0 FDADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683394 607094791 /nfs/dbraw/zinc/09/47/91/607094791.db2.gz AQXJTRWAJNRPSE-DGCLKSJQSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683394 607094792 /nfs/dbraw/zinc/09/47/92/607094792.db2.gz AQXJTRWAJNRPSE-DGCLKSJQSA-N -2 3 363.443 1.639 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000822222908 607097091 /nfs/dbraw/zinc/09/70/91/607097091.db2.gz XQMKUBLIEOWELP-ZYHUDNBSSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000822222908 607097092 /nfs/dbraw/zinc/09/70/92/607097092.db2.gz XQMKUBLIEOWELP-ZYHUDNBSSA-N -2 3 363.443 1.806 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000820534208 607101280 /nfs/dbraw/zinc/10/12/80/607101280.db2.gz KBJVXCJFVAAKOB-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000820534208 607101282 /nfs/dbraw/zinc/10/12/82/607101282.db2.gz KBJVXCJFVAAKOB-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)nc1Cl ZINC000822685118 607118087 /nfs/dbraw/zinc/11/80/87/607118087.db2.gz SJRDWEDNHQQQMJ-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)nc1Cl ZINC000822685118 607118088 /nfs/dbraw/zinc/11/80/88/607118088.db2.gz SJRDWEDNHQQQMJ-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821698780 607155538 /nfs/dbraw/zinc/15/55/38/607155538.db2.gz YIXBLNVVZJLMKP-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821698780 607155540 /nfs/dbraw/zinc/15/55/40/607155540.db2.gz YIXBLNVVZJLMKP-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL CCOC(=O)c1nnc([N-]C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000821346470 607187559 /nfs/dbraw/zinc/18/75/59/607187559.db2.gz JYVQOUIXVJJJQU-UHFFFAOYSA-N -2 3 351.373 1.209 20 0 FDADHL CCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1CC ZINC000825718026 607932525 /nfs/dbraw/zinc/93/25/25/607932525.db2.gz UEWNNYGOJFQLOJ-UHFFFAOYSA-N -2 3 361.431 1.526 20 0 FDADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826224476 607945649 /nfs/dbraw/zinc/94/56/49/607945649.db2.gz FNEUIHYKDXDNGF-SECBINFHSA-N -2 3 355.445 1.122 20 0 FDADHL CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826224476 607945650 /nfs/dbraw/zinc/94/56/50/607945650.db2.gz FNEUIHYKDXDNGF-SECBINFHSA-N -2 3 355.445 1.122 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC000826450570 607985863 /nfs/dbraw/zinc/98/58/63/607985863.db2.gz RSUSTSKBDRVDQP-UHFFFAOYSA-N -2 3 371.369 1.497 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826450570 607985864 /nfs/dbraw/zinc/98/58/64/607985864.db2.gz RSUSTSKBDRVDQP-UHFFFAOYSA-N -2 3 371.369 1.497 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cccnc1 ZINC000826279213 607992187 /nfs/dbraw/zinc/99/21/87/607992187.db2.gz JDPUBQAVCBOQRD-ALCCZGGFSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cccnc1 ZINC000826279213 607992188 /nfs/dbraw/zinc/99/21/88/607992188.db2.gz JDPUBQAVCBOQRD-ALCCZGGFSA-N -2 3 370.394 1.088 20 0 FDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824309289 608140872 /nfs/dbraw/zinc/14/08/72/608140872.db2.gz JOXHENPDGSFXQU-UHFFFAOYSA-N -2 3 367.431 1.018 20 0 FDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824309289 608140873 /nfs/dbraw/zinc/14/08/73/608140873.db2.gz JOXHENPDGSFXQU-UHFFFAOYSA-N -2 3 367.431 1.018 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)=C1CCCC1 ZINC000824045011 608247869 /nfs/dbraw/zinc/24/78/69/608247869.db2.gz CZHWCJXAUWQCGP-UHFFFAOYSA-N -2 3 361.427 1.871 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)=C1CCCC1 ZINC000824045011 608247870 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373.413 1.880 20 0 FDADHL O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[N-]S(=O)(=O)c1ccco1 ZINC000277280462 674905357 /nfs/dbraw/zinc/90/53/57/674905357.db2.gz PSHBLGLYRMOAPM-LBPRGKRZSA-N -2 3 367.379 1.415 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC000278252304 675112661 /nfs/dbraw/zinc/11/26/61/675112661.db2.gz XAYMAQDVMZUDOV-SECBINFHSA-N -2 3 373.280 1.296 20 0 FDADHL CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000043998628 670948460 /nfs/dbraw/zinc/94/84/60/670948460.db2.gz MURQMRGGZHJNJG-UHFFFAOYSA-N -2 3 351.340 1.461 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccn1 ZINC000045774645 670981599 /nfs/dbraw/zinc/98/15/99/670981599.db2.gz HFOINFFORKPZNA-UHFFFAOYSA-N -2 3 374.191 1.607 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCCC1 ZINC000055586776 671237148 /nfs/dbraw/zinc/23/71/48/671237148.db2.gz VMCNXVFSBBKSFV-UHFFFAOYSA-N -2 3 355.391 1.210 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)OCCC)cc1 ZINC000068716327 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/nfs/dbraw/zinc/49/39/23/972493923.db2.gz AKVMRCIGYKBHNE-UHFFFAOYSA-N -2 3 366.370 1.825 20 0 FDADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000773911189 960777858 /nfs/dbraw/zinc/77/78/58/960777858.db2.gz QRKDWUUTADVNRF-IHRRRGAJSA-N -2 3 362.474 1.796 20 0 FDADHL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568360 963981866 /nfs/dbraw/zinc/98/18/66/963981866.db2.gz RUZKKIUKAMPQSY-UHFFFAOYSA-N -2 3 359.415 1.582 20 0 FDADHL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568360 963981870 /nfs/dbraw/zinc/98/18/70/963981870.db2.gz RUZKKIUKAMPQSY-UHFFFAOYSA-N -2 3 359.415 1.582 20 0 FDADHL O=S(=O)([N-]c1cn(CC2CCC2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185572133 963982965 /nfs/dbraw/zinc/98/29/65/963982965.db2.gz AUTOOMNFCKERAE-UHFFFAOYSA-N -2 3 359.415 1.664 20 0 FDADHL O=S(=O)([N-]c1cn(CC2CCC2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185572133 963982969 /nfs/dbraw/zinc/98/29/69/963982969.db2.gz AUTOOMNFCKERAE-UHFFFAOYSA-N -2 3 359.415 1.664 20 0 FDADHL O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185604749 964000892 /nfs/dbraw/zinc/00/08/92/964000892.db2.gz NHLZCUNBDNRUIS-UHFFFAOYSA-N -2 3 357.351 1.338 20 0 FDADHL O=C(CCCCCCCNC(=O)c1ccccc1[O-])N[C@@H]1CO[N-]C1=O ZINC001185936902 964203680 /nfs/dbraw/zinc/20/36/80/964203680.db2.gz MPFOBDOXSNEUST-CQSZACIVSA-N -2 3 363.414 1.009 20 0 FDADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176235 965124860 /nfs/dbraw/zinc/12/48/60/965124860.db2.gz RYZNGGJWTIMDQO-UHFFFAOYSA-N -2 3 357.187 1.612 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c1F ZINC000776587297 967223235 /nfs/dbraw/zinc/22/32/35/967223235.db2.gz KEYIXLJOBUDKMA-SSDOTTSWSA-N -2 3 351.327 1.141 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1F ZINC000776594722 967288349 /nfs/dbraw/zinc/28/83/49/967288349.db2.gz CCXZKZPALZZCDK-LSDHHAIUSA-N -2 3 371.361 1.738 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000776632616 967701516 /nfs/dbraw/zinc/70/15/16/967701516.db2.gz AKGFEMFAMUCYPP-QMMMGPOBSA-N -2 3 364.807 1.443 20 0 FDADHL Cc1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)nn1 ZINC000903408796 969577890 /nfs/dbraw/zinc/57/78/90/969577890.db2.gz NIJDPDTYDCPHBM-NEPJUHHUSA-N -2 3 360.336 1.190 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])sc1Cl ZINC001605219613 972968673 /nfs/dbraw/zinc/96/86/73/972968673.db2.gz LPIGAPARGMSQPG-UHFFFAOYSA-N -2 3 357.837 1.106 20 0 FDADHL COc1ccccc1Cn1cc(C(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001199562893 974368350 /nfs/dbraw/zinc/36/83/50/974368350.db2.gz JIGYWOHJLMPQQR-UHFFFAOYSA-N -2 3 367.342 1.628 20 0 FDADHL CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])no1 ZINC001591733991 975711474 /nfs/dbraw/zinc/71/14/74/975711474.db2.gz AAGCDHNQMGGXOG-JTQLQIEISA-N -2 3 369.399 1.732 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000848675546 976991621 /nfs/dbraw/zinc/99/16/21/976991621.db2.gz DYLHYICCTDHFNI-QMMMGPOBSA-N -2 3 369.317 1.307 20 0 FDADHL CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(F)cc1C ZINC000848680597 976997564 /nfs/dbraw/zinc/99/75/64/976997564.db2.gz LKRNRUWGSBEDKW-LLVKDONJSA-N -2 3 365.354 1.402 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000848681326 976998214 /nfs/dbraw/zinc/99/82/14/976998214.db2.gz ZCYBJBYUIYVGFA-SECBINFHSA-N -2 3 351.327 1.012 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccn1 ZINC000776532248 978964521 /nfs/dbraw/zinc/96/45/21/978964521.db2.gz BIVCWGRLIHXGMV-JTQLQIEISA-N -2 3 355.803 1.352 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCc2ccccc2C1 ZINC001592716008 979214378 /nfs/dbraw/zinc/21/43/78/979214378.db2.gz NAACBDQWUOLGOH-GFCCVEGCSA-N -2 3 364.423 1.703 20 0 FDADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1(CC)CC ZINC000833660153 979216533 /nfs/dbraw/zinc/21/65/33/979216533.db2.gz MKDIXPSXISSFBN-MNOVXSKESA-N -2 3 359.448 1.678 20 0 FDADHL COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840897369 979279313 /nfs/dbraw/zinc/27/93/13/979279313.db2.gz SHXYQRQNMMVCAN-SSDOTTSWSA-N -2 3 370.221 1.691 20 0 FDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000776562526 979287621 /nfs/dbraw/zinc/28/76/21/979287621.db2.gz YJHFZBHAXPRJCG-VIFPVBQESA-N -2 3 361.420 1.207 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1ncc(C(=O)[O-])s1 ZINC000843295035 979335178 /nfs/dbraw/zinc/33/51/78/979335178.db2.gz RJNFVYMJDHQQDK-RXMQYKEDSA-N -2 3 350.809 1.268 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000843295273 979335619 /nfs/dbraw/zinc/33/56/19/979335619.db2.gz JKXCIBFNVMMSCE-WCQYABFASA-N -2 3 373.402 1.924 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)[O-] ZINC001592817099 979519631 /nfs/dbraw/zinc/51/96/31/979519631.db2.gz WAWOOIICAQSBOQ-HLUHBDAQSA-N -2 3 367.345 1.561 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001595169683 979730648 /nfs/dbraw/zinc/73/06/48/979730648.db2.gz DJBBCXVZIUXZON-LURJTMIESA-N -3 3 353.755 1.566 20 0 FDADHL C[C@@](Cn1cccn1)([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)[O-] ZINC001592918960 979912182 /nfs/dbraw/zinc/91/21/82/979912182.db2.gz UPKNSKAKUMROIB-HNNXBMFYSA-N -2 3 367.308 1.327 20 0 FDADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cc([O-])cc(Br)c1 ZINC000882735933 981633833 /nfs/dbraw/zinc/63/38/33/981633833.db2.gz YYMZXVPJTWSVQE-GOSISDBHSA-N -2 3 372.266 1.386 20 0 FDADHL CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001596519858 984315215 /nfs/dbraw/zinc/31/52/15/984315215.db2.gz QIZHHPWJIHYPBO-SSDOTTSWSA-N -2 3 367.782 1.655 20 0 FDADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C)c1C ZINC001596544287 984400105 /nfs/dbraw/zinc/40/01/05/984400105.db2.gz RUPHROUHTDJFOI-HNNXBMFYSA-N -2 3 357.428 1.692 20 0 FDADHL CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(/C=C/C(=O)[O-])o2)s1 ZINC001596637241 984625902 /nfs/dbraw/zinc/62/59/02/984625902.db2.gz UFSCKXUMQLTWGM-GQCTYLIASA-N -2 3 351.340 1.587 20 0 FDADHL CCOC(=O)c1nnc([C@@H](C)NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)[n-]1 ZINC001596748876 985080529 /nfs/dbraw/zinc/08/05/29/985080529.db2.gz LZGUPEHMQNXIIO-MNOVXSKESA-N -2 3 362.386 1.684 20 0 FDADHL CCO[C@H]1C[C@](NC(=O)c2cc3c(cc2[O-])OCO3)(C(=O)[O-])C1(C)C ZINC001596829723 985458731 /nfs/dbraw/zinc/45/87/31/985458731.db2.gz ZQWMZDWFWIYXGZ-GUYCJALGSA-N -2 3 351.355 1.509 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(C2CC2)c1 ZINC000826450512 985653072 /nfs/dbraw/zinc/65/30/72/985653072.db2.gz PPBNSTXMFOIDLQ-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(C2CC2)c1 ZINC000826450512 985653091 /nfs/dbraw/zinc/65/30/91/985653091.db2.gz PPBNSTXMFOIDLQ-UHFFFAOYSA-N -2 3 370.394 1.258 20 0 FDADHL CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001596980496 986230175 /nfs/dbraw/zinc/23/01/75/986230175.db2.gz GGMBPDZEHIPWEP-GHMZBOCLSA-N -2 3 367.782 1.260 20 0 FDADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001589457829 986896703 /nfs/dbraw/zinc/89/67/03/986896703.db2.gz ACBUFRHJYIWTNH-BXKDBHETSA-N -2 3 372.385 1.280 20 0 FDADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000653495295 1015276464 /nfs/dbraw/zinc/27/64/64/1015276464.db2.gz FPTPXHLMEMYPFS-UHFFFAOYSA-N -2 3 371.806 1.148 20 0 FDADHL O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000653495295 1015276466 /nfs/dbraw/zinc/27/64/66/1015276466.db2.gz FPTPXHLMEMYPFS-UHFFFAOYSA-N -2 3 371.806 1.148 20 0 FDADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC(=O)[O-] ZINC001589709949 987830184 /nfs/dbraw/zinc/83/01/84/987830184.db2.gz CJKHUSMQSJXTBU-SSDOTTSWSA-N -3 3 350.418 1.257 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC001599829085 988641970 /nfs/dbraw/zinc/64/19/70/988641970.db2.gz MPMZSXZADVTJDV-QPJJXVBHSA-N -2 3 371.465 1.836 20 0 FDADHL CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)no1 ZINC001590395956 989920121 /nfs/dbraw/zinc/92/01/21/989920121.db2.gz LHMQDMWEKULILC-UHFFFAOYSA-N -2 3 369.399 1.561 20 0 FDADHL CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001598106369 990487755 /nfs/dbraw/zinc/48/77/55/990487755.db2.gz KGJFADGEFBPLHX-UHFFFAOYSA-N -2 3 359.795 1.004 20 0 FDADHL CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001598106369 990487757 /nfs/dbraw/zinc/48/77/57/990487757.db2.gz KGJFADGEFBPLHX-UHFFFAOYSA-N -2 3 359.795 1.004 20 0 FDADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001590766652 990572527 /nfs/dbraw/zinc/57/25/27/990572527.db2.gz ZHZZQBWEIAGSKD-UHFFFAOYSA-N -3 3 353.755 1.566 20 0 FDADHL COc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC001599734701 991757116 /nfs/dbraw/zinc/75/71/16/991757116.db2.gz KSPDEDFFRARONO-JQWIXIFHSA-N -2 3 370.452 1.762 20 0 FDADHL COc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)s1 ZINC001599735129 991763173 /nfs/dbraw/zinc/76/31/73/991763173.db2.gz PRANDIJUYZKUAS-QXEWZRGKSA-N -2 3 364.445 1.088 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001599743600 991896996 /nfs/dbraw/zinc/89/69/96/991896996.db2.gz IWPIYMQIQYIFJI-CEKUMRDESA-N -2 3 358.441 1.231 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001599761429 992127576 /nfs/dbraw/zinc/12/75/76/992127576.db2.gz ZFPJVVXLTIWENC-WVWOOGAGSA-N -2 3 353.396 1.714 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC001598674185 994812331 /nfs/dbraw/zinc/81/23/31/994812331.db2.gz LECNBBSRTJJGFU-UHFFFAOYSA-N -2 3 371.342 1.690 20 0 FDADHL C[C@]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC001593324546 994860934 /nfs/dbraw/zinc/86/09/34/994860934.db2.gz AROMWGPBBKRXFI-ASSNKEHSSA-N -2 3 352.478 1.505 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@H](C)C(=O)[O-] ZINC001593327393 994887860 /nfs/dbraw/zinc/88/78/60/994887860.db2.gz ZOEDTULOEVRGEP-PHDIDXHHSA-N -3 3 353.755 1.565 20 0 FDADHL COc1cccc([O-])c1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001599680597 994975730 /nfs/dbraw/zinc/97/57/30/994975730.db2.gz ZIOLXFSPSKVQJP-JTQLQIEISA-N -2 3 353.371 1.706 20 0 FDADHL COC(=O)/C(C)=C\C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001598689238 995037963 /nfs/dbraw/zinc/03/79/63/995037963.db2.gz TXCDYBNAPGYEMX-CLTKARDFSA-N -2 3 365.766 1.575 20 0 FDADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1F ZINC001593432756 995261837 /nfs/dbraw/zinc/26/18/37/995261837.db2.gz QJFHETKYEXXDBR-OTYXRUKQSA-N -2 3 354.359 1.319 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(C)cc(C)c1 ZINC001598708506 995318547 /nfs/dbraw/zinc/31/85/47/995318547.db2.gz FDUIIMCSIHWZHC-MJBXVCDLSA-N -2 3 355.412 1.300 20 0 FDADHL C[C@@H](Oc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1F)C(=O)[O-] ZINC001593629820 995911621 /nfs/dbraw/zinc/91/16/21/995911621.db2.gz VCGNGYUBMVGNFP-ZJUUUORDSA-N -2 3 366.349 1.311 20 0 FDADHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC001599281058 996896898 /nfs/dbraw/zinc/89/68/98/996896898.db2.gz ONKYLILIHQQAHV-UHFFFAOYSA-N -2 3 369.370 1.963 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598917977 997511694 /nfs/dbraw/zinc/51/16/94/997511694.db2.gz ZFFCVWYPKIYRHY-XQRVVYSFSA-N -2 3 362.294 1.531 20 0 FDADHL COCC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)[O-] ZINC001599212189 997521270 /nfs/dbraw/zinc/52/12/70/997521270.db2.gz FVMTVHWLEKOFOQ-MRVPVSSYSA-N -2 3 367.146 1.542 20 0 FDADHL COc1ccc([C@@H](NC(=O)c2cccc3n[n-]nc32)C(=O)[O-])c(OC)c1 ZINC001599524919 997542252 /nfs/dbraw/zinc/54/22/52/997542252.db2.gz SFEABWCOJOCHFY-OAHLLOKOSA-N -2 3 356.338 1.531 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)cc1F ZINC001599424849 997656143 /nfs/dbraw/zinc/65/61/43/997656143.db2.gz XKHLIIVBCBMCOS-GFCCVEGCSA-N -2 3 353.368 1.212 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1 ZINC001598928717 997700744 /nfs/dbraw/zinc/70/07/44/997700744.db2.gz HBRJIVULSHZTJA-KXNHARMFSA-N -2 3 371.386 1.308 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])c1 ZINC001598928782 997702166 /nfs/dbraw/zinc/70/21/66/997702166.db2.gz JXNRNNIDIPPURT-CQSZACIVSA-N -2 3 365.354 1.402 20 0 FDADHL COC(=O)c1cc(NC(=O)Cc2ccc(C(=O)[O-])nc2)c([O-])c(OC)c1 ZINC001598939105 997928457 /nfs/dbraw/zinc/92/84/57/997928457.db2.gz UUXDIVXZYVMTEJ-UHFFFAOYSA-N -2 3 360.322 1.462 20 0 FDADHL CC1=NO[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001594120346 998268208 /nfs/dbraw/zinc/26/82/08/998268208.db2.gz GBPOADVMWQKOCD-SSDOTTSWSA-N -2 3 350.755 1.620 20 0 FDADHL COC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)[O-] ZINC001599165362 998533077 /nfs/dbraw/zinc/53/30/77/998533077.db2.gz CUUSFJWCJWVMJL-SECBINFHSA-N -2 3 352.131 1.757 20 0 FDADHL COC(=O)c1cccc([C@@H](C(=O)[O-])N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001598999637 998812289 /nfs/dbraw/zinc/81/22/89/998812289.db2.gz UIJAOTBCZKDMOF-HNNXBMFYSA-N -2 3 369.377 1.988 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001599017660 998952154 /nfs/dbraw/zinc/95/21/54/998952154.db2.gz OBHDOMUWIWXHFT-CQSZACIVSA-N -2 3 370.408 1.208 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1C[C@H]1C(=O)[O-] ZINC001599022614 998992786 /nfs/dbraw/zinc/99/27/86/998992786.db2.gz NREQFKQAJJWZTP-PSASIEDQSA-N -2 3 369.420 1.687 20 0 FDADHL Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266808806 999237608 /nfs/dbraw/zinc/23/76/08/999237608.db2.gz IDVKESRBNINHQZ-LBPRGKRZSA-N -2 3 373.438 1.839 20 0 FDADHL COC(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC)c3c([O-])coc32)[n-]1 ZINC000796343483 1009231580 /nfs/dbraw/zinc/23/15/80/1009231580.db2.gz CKLYJLKGXDQIOD-UHFFFAOYSA-N -2 3 373.317 1.425 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1)C1CCOCC1 ZINC000647129095 1009502157 /nfs/dbraw/zinc/50/21/57/1009502157.db2.gz BWFCEZQSOOYMIJ-AWEZNQCLSA-N -2 3 361.391 1.707 20 0 FDADHL O=C(CSc1n[nH]c(=O)[n-]1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000507551077 538918825 /nfs/dbraw/zinc/91/88/25/538918825.db2.gz HUDOYQZZNWPVIN-UHFFFAOYSA-N -2 3 350.278 1.845 20 0 FDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000194066310 178196913 /nfs/dbraw/zinc/19/69/13/178196913.db2.gz XABJWZGKDMYMKT-NSHDSACASA-N -2 3 370.335 1.186 20 0 FDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000194066310 178196915 /nfs/dbraw/zinc/19/69/15/178196915.db2.gz XABJWZGKDMYMKT-NSHDSACASA-N -2 3 370.335 1.186 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000516925581 539330702 /nfs/dbraw/zinc/33/07/02/539330702.db2.gz UBOYOUUFGJDAIW-YGRLFVJLSA-N -2 3 352.412 1.902 20 0 FDADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1OC ZINC000518604101 539436635 /nfs/dbraw/zinc/43/66/35/539436635.db2.gz YZBPBCJAKVVRSJ-UHFFFAOYSA-N -2 3 358.347 1.680 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000269188342 180237916 /nfs/dbraw/zinc/23/79/16/180237916.db2.gz NHCPYMGWOFOVLT-NSHDSACASA-N -2 3 372.418 1.449 20 0 FDADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)COc2ccccc2O1 ZINC000530148984 539895993 /nfs/dbraw/zinc/89/59/93/539895993.db2.gz AZMRGRUULGFEEY-OAHLLOKOSA-N -2 3 353.352 1.486 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)s1 ZINC000530149042 539895999 /nfs/dbraw/zinc/89/59/99/539895999.db2.gz BYBMMSJXPCPGAD-MRVPVSSYSA-N -2 3 369.346 1.725 20 0 FDADHL Cc1c([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)[O-])cnn1C ZINC000530382950 539958262 /nfs/dbraw/zinc/95/82/62/539958262.db2.gz GPHPIHZGIKBIEE-GFCCVEGCSA-N -2 3 363.317 1.250 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000530488790 539984167 /nfs/dbraw/zinc/98/41/67/539984167.db2.gz SXSYHPCYXCCOBX-MRVPVSSYSA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000274885399 181186339 /nfs/dbraw/zinc/18/63/39/181186339.db2.gz DTQBPDVDWGQUSC-QMMMGPOBSA-N -2 3 361.725 1.473 20 0 FDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000274898392 181189480 /nfs/dbraw/zinc/18/94/80/181189480.db2.gz HNOGBPYYWYQVKK-ZCFIWIBFSA-N -2 3 370.196 1.738 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(Cl)c1Cl ZINC000274890937 181187593 /nfs/dbraw/zinc/18/75/93/181187593.db2.gz FZWXVFFARJVLIJ-ZCFIWIBFSA-N -2 3 358.199 1.116 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)s2)cs1 ZINC000274926094 181196586 /nfs/dbraw/zinc/19/65/86/181196586.db2.gz NXDUNJGWXDMQNI-KGFZYKRKSA-N -2 3 362.454 1.292 20 0 FDADHL O=C([O-])CCCN1CCC([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000274940710 181201519 /nfs/dbraw/zinc/20/15/19/181201519.db2.gz GDOWFPOFIBNZOA-UHFFFAOYSA-N -2 3 362.398 1.572 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])s1 ZINC000274995981 181214396 /nfs/dbraw/zinc/21/43/96/181214396.db2.gz NGZHIDQKCLNJBC-VIFPVBQESA-N -2 3 374.465 1.826 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000275016415 181218459 /nfs/dbraw/zinc/21/84/59/181218459.db2.gz OBNHBXMKQPTJED-CQSZACIVSA-N -2 3 352.412 1.822 20 0 FDADHL Cc1ncc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cn1 ZINC000533229133 540217750 /nfs/dbraw/zinc/21/77/50/540217750.db2.gz FADOYJXZRVRKMN-UHFFFAOYSA-N -2 3 360.392 1.096 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000275057659 181227114 /nfs/dbraw/zinc/22/71/14/181227114.db2.gz UDQJRABLLXJEJJ-AWEZNQCLSA-N -2 3 373.381 1.922 20 0 FDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000275077554 181232077 /nfs/dbraw/zinc/23/20/77/181232077.db2.gz XYXFWMROAUHYIN-JTQLQIEISA-N -2 3 353.318 1.806 20 0 FDADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000275111710 181241694 /nfs/dbraw/zinc/24/16/94/181241694.db2.gz SALQFADTRYCVKF-LURJTMIESA-N -2 3 359.256 1.873 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000275170170 181253626 /nfs/dbraw/zinc/25/36/26/181253626.db2.gz BYPMBTCMZSHMQA-VIFPVBQESA-N -2 3 370.210 1.678 20 0 FDADHL COc1cccc(OC)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000275270585 181275767 /nfs/dbraw/zinc/27/57/67/181275767.db2.gz NCDRUSLPQKLNLT-SSDOTTSWSA-N -2 3 357.306 1.388 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000537207428 540700769 /nfs/dbraw/zinc/70/07/69/540700769.db2.gz ODHNEKUGORCNKS-UHFFFAOYSA-N -3 3 350.328 1.146 20 0 FDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538298731 540838860 /nfs/dbraw/zinc/83/88/60/540838860.db2.gz BBKZKRURBDBNBX-UHFFFAOYSA-N -2 3 350.396 1.870 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1CC(=O)[O-] ZINC000539193555 540932693 /nfs/dbraw/zinc/93/26/93/540932693.db2.gz JNZMYMZKJPIDLU-UHFFFAOYSA-N -2 3 369.370 1.755 20 0 FDADHL COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000544925272 541855261 /nfs/dbraw/zinc/85/52/61/541855261.db2.gz PLSUMRAFCIJIKJ-GFCCVEGCSA-N -2 3 374.434 1.221 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)on1 ZINC000544929453 541856746 /nfs/dbraw/zinc/85/67/46/541856746.db2.gz MKEIAKYUVLVSAF-UHFFFAOYSA-N -2 3 370.383 1.431 20 0 FDADHL CCc1nc(C[N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cs1 ZINC000546253425 542132514 /nfs/dbraw/zinc/13/25/14/542132514.db2.gz FPKUQMKKMZUBDB-UHFFFAOYSA-N -2 3 370.452 1.820 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000296842529 184205879 /nfs/dbraw/zinc/20/58/79/184205879.db2.gz BYBWCNKHORLAJR-MRVPVSSYSA-N -2 3 373.280 1.139 20 0 FDADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000297152938 184239801 /nfs/dbraw/zinc/23/98/01/184239801.db2.gz JAJPLDNVTOFUQP-VIFPVBQESA-N -2 3 367.420 1.008 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000297215705 184245980 /nfs/dbraw/zinc/24/59/80/184245980.db2.gz NSHNYPTYLMRPCD-YLWLKBPMSA-N -2 3 372.624 1.215 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000547541847 542367361 /nfs/dbraw/zinc/36/73/61/542367361.db2.gz ZMFPODGMGCTNQI-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000547551226 542371026 /nfs/dbraw/zinc/37/10/26/542371026.db2.gz MFKFOILTFDJNML-LLVKDONJSA-N -2 3 357.819 1.295 20 0 FDADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)ccc1C(=O)[O-] ZINC000547561981 542375862 /nfs/dbraw/zinc/37/58/62/542375862.db2.gz LPDSNZVYAIHDNN-UHFFFAOYSA-N -2 3 368.367 1.200 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2C)C(=O)[O-])c1 ZINC000547564290 542376285 /nfs/dbraw/zinc/37/62/85/542376285.db2.gz BBGQOFDPCGVXFD-AWEZNQCLSA-N -2 3 351.428 1.433 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)c1 ZINC000547565929 542377232 /nfs/dbraw/zinc/37/72/32/542377232.db2.gz QTPMNYMVHGIWMS-UHFFFAOYSA-N -2 3 370.408 1.415 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547554076 542372028 /nfs/dbraw/zinc/37/20/28/542372028.db2.gz WKPSZCCEABODIK-GHMZBOCLSA-N -2 3 358.372 1.061 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000547558636 542373854 /nfs/dbraw/zinc/37/38/54/542373854.db2.gz OQRDRZNTMSECAF-VIFPVBQESA-N -2 3 353.755 1.082 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000547609529 542390305 /nfs/dbraw/zinc/39/03/05/542390305.db2.gz MTWAOWJSRHLSTB-UHFFFAOYSA-N -2 3 357.340 1.398 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000547865957 542468742 /nfs/dbraw/zinc/46/87/42/542468742.db2.gz AXLAVDKBKXYUKQ-QMMMGPOBSA-N -2 3 357.409 1.687 20 0 FDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547871282 542470366 /nfs/dbraw/zinc/47/03/66/542470366.db2.gz PYXLMNHRRMIUED-CYBMUJFWSA-N -2 3 367.358 1.718 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000547871510 542471223 /nfs/dbraw/zinc/47/12/23/542471223.db2.gz LEAYKMUNYSGETA-LBPRGKRZSA-N -2 3 373.408 1.794 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000547876030 542472621 /nfs/dbraw/zinc/47/26/21/542472621.db2.gz APAZMHPRBXYBTO-GFCCVEGCSA-N -2 3 352.387 1.751 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCOC1 ZINC000547876345 542472538 /nfs/dbraw/zinc/47/25/38/542472538.db2.gz ACZFPAGEQQCJKC-WRWORJQWSA-N -2 3 371.308 1.613 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000547885627 542476484 /nfs/dbraw/zinc/47/64/84/542476484.db2.gz UPRNMYIVATYMDH-WFASDCNBSA-N -2 3 374.484 1.696 20 0 FDADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000547908018 542484325 /nfs/dbraw/zinc/48/43/25/542484325.db2.gz RCJYLTHNTFYQLT-QMMMGPOBSA-N -2 3 364.217 1.926 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C1CCC1 ZINC000547939209 542494202 /nfs/dbraw/zinc/49/42/02/542494202.db2.gz ATNNMXXOXPDELA-LLVKDONJSA-N -2 3 360.775 1.306 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)c(F)c2)s1 ZINC000547940667 542495011 /nfs/dbraw/zinc/49/50/11/542495011.db2.gz UQZWLQOKPFHMDQ-ZDUSSCGKSA-N -2 3 374.415 1.957 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c1C(=O)[O-] ZINC000548196053 542580616 /nfs/dbraw/zinc/58/06/16/542580616.db2.gz QKXCCIGPSBBXEV-UHFFFAOYSA-N -2 3 374.418 1.960 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Br)cc2)c[nH]1 ZINC000548208569 542586442 /nfs/dbraw/zinc/58/64/42/542586442.db2.gz XQKFLXQJLZGJCW-NSHDSACASA-N -2 3 374.216 1.585 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)s1 ZINC000548246796 542600069 /nfs/dbraw/zinc/60/00/69/542600069.db2.gz KVCNFRDGOHUILZ-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)oc1C ZINC000548526904 542690572 /nfs/dbraw/zinc/69/05/72/542690572.db2.gz OTUHQTTZNSDXEM-CYBMUJFWSA-N -2 3 353.352 1.479 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000548543821 542697360 /nfs/dbraw/zinc/69/73/60/542697360.db2.gz YNCMFRVFCDXNFM-LRDDRELGSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000548550302 542699319 /nfs/dbraw/zinc/69/93/19/542699319.db2.gz UIHONRXFYALRCM-CYBMUJFWSA-N -2 3 355.391 1.577 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000548557555 542702234 /nfs/dbraw/zinc/70/22/34/542702234.db2.gz IPMNLSFLVDCVKE-CYBMUJFWSA-N -2 3 357.819 1.969 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000548567580 542705431 /nfs/dbraw/zinc/70/54/31/542705431.db2.gz BKQMHWVVMSVDNC-GFCCVEGCSA-N -2 3 361.782 1.800 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cn1C ZINC000548569358 542706183 /nfs/dbraw/zinc/70/61/83/542706183.db2.gz JYDTXWVPUYJFML-GFCCVEGCSA-N -2 3 361.782 1.625 20 0 FDADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000548571624 542706748 /nfs/dbraw/zinc/70/67/48/542706748.db2.gz JSORZLUFZGNFCW-UHFFFAOYSA-N -2 3 370.814 1.719 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)s1 ZINC000548590048 542712917 /nfs/dbraw/zinc/71/29/17/542712917.db2.gz NWPXJGIWGRSPNL-JTQLQIEISA-N -2 3 361.422 1.700 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]CC[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000548684244 542752362 /nfs/dbraw/zinc/75/23/62/542752362.db2.gz ZGCKMHADLGZWTK-CQSZACIVSA-N -2 3 351.428 1.515 20 0 FDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548770102 542775489 /nfs/dbraw/zinc/77/54/89/542775489.db2.gz RMBPBYJRDTYVEV-GMSGAONNSA-N -2 3 352.334 1.878 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)oc1C ZINC000548837601 542788616 /nfs/dbraw/zinc/78/86/16/542788616.db2.gz FEUKQBIVXOSJKQ-VFZGTOFNSA-N -2 3 359.400 1.686 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000548867390 542794405 /nfs/dbraw/zinc/79/44/05/542794405.db2.gz DFUOLWUOVKCYFJ-ISVAXAHUSA-N -2 3 359.375 1.390 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551597592 543308122 /nfs/dbraw/zinc/30/81/22/543308122.db2.gz VBRVLSIXSGZXHP-UHFFFAOYSA-N -2 3 354.609 1.998 20 0 FDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(F)cc2Br)CCOC1 ZINC000096844111 172325029 /nfs/dbraw/zinc/32/50/29/172325029.db2.gz VLRUHSMWWVXSPT-NSHDSACASA-N -2 3 368.180 1.110 20 0 FDADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000136247213 173359343 /nfs/dbraw/zinc/35/93/43/173359343.db2.gz VKOFLSLGNPDTIM-JTQLQIEISA-N -2 3 351.222 1.622 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000275203785 258458767 /nfs/dbraw/zinc/45/87/67/258458767.db2.gz GYGXZYIVDYLIBA-NSHDSACASA-N -2 3 361.391 1.597 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c1 ZINC000554665405 543848043 /nfs/dbraw/zinc/84/80/43/543848043.db2.gz HBYHCMHRHDFVMF-LKFCYVNXSA-N -2 3 373.402 1.780 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000554677740 543850667 /nfs/dbraw/zinc/85/06/67/543850667.db2.gz XYEWGECFRCNYRE-AMIZOPFISA-N -2 3 359.375 1.390 20 0 FDADHL COc1ccc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c2occ([O-])c21 ZINC000554939905 543894610 /nfs/dbraw/zinc/89/46/10/543894610.db2.gz UPGPQSACBXNMJC-UHFFFAOYSA-N -2 3 350.714 1.069 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N=c2[n-]nc(C3CC3)s2)s1 ZINC000555370248 543948992 /nfs/dbraw/zinc/94/89/92/543948992.db2.gz ZZAWWQQAUDXEFW-UHFFFAOYSA-N -2 3 373.485 1.707 20 0 FDADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000558692767 544507423 /nfs/dbraw/zinc/50/74/23/544507423.db2.gz XFZORLLEDTUDEL-JTQLQIEISA-N -2 3 356.381 1.284 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)Oc1ccccc1 ZINC000559153243 544598714 /nfs/dbraw/zinc/59/87/14/544598714.db2.gz LCRAGZYPBQAXIS-AWEZNQCLSA-N -2 3 357.334 1.775 20 0 FDADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000560418342 545003088 /nfs/dbraw/zinc/00/30/88/545003088.db2.gz XMLSGXQGIOGXTE-UHFFFAOYSA-N -2 3 374.216 1.990 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000330606971 259153136 /nfs/dbraw/zinc/15/31/36/259153136.db2.gz ONYKXXHITAPIEY-KOLCDFICSA-N -2 3 366.436 1.043 20 0 FDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c1 ZINC000368285362 260161067 /nfs/dbraw/zinc/16/10/67/260161067.db2.gz VEGKWOMTJBGXGW-UHFFFAOYSA-N -2 3 374.418 1.580 20 0 FDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000368646180 260214385 /nfs/dbraw/zinc/21/43/85/260214385.db2.gz VGQPHVZESOVCDW-UHFFFAOYSA-N -2 3 360.391 1.651 20 0 FDADHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000368794010 260236901 /nfs/dbraw/zinc/23/69/01/260236901.db2.gz DLPFGZDVXYKMOC-UHFFFAOYSA-N -2 3 370.394 1.186 20 0 FDADHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000368794010 260236903 /nfs/dbraw/zinc/23/69/03/260236903.db2.gz DLPFGZDVXYKMOC-UHFFFAOYSA-N -2 3 370.394 1.186 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)s1 ZINC000368799887 260238229 /nfs/dbraw/zinc/23/82/29/260238229.db2.gz KDZAHMPKGRHIJI-PWSUYJOCSA-N -2 3 360.457 1.532 20 0 FDADHL CCOC(=O)c1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n[n-]1 ZINC000542834759 490911870 /nfs/dbraw/zinc/91/18/70/490911870.db2.gz WSPHFZBRRLWFID-UHFFFAOYSA-N -2 3 358.358 1.133 20 0 FDADHL CCOC(=O)c1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)[n-]n1 ZINC000542834759 490911871 /nfs/dbraw/zinc/91/18/71/490911871.db2.gz WSPHFZBRRLWFID-UHFFFAOYSA-N -2 3 358.358 1.133 20 0 FDADHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066045478 522938680 /nfs/dbraw/zinc/93/86/80/522938680.db2.gz OBWCZPPTHKRQNI-UHFFFAOYSA-N -2 3 362.332 1.974 20 0 FDADHL Cc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000157045951 524198636 /nfs/dbraw/zinc/19/86/36/524198636.db2.gz NGXGJCSXVUPUSJ-LLVKDONJSA-N -2 3 373.438 1.426 20 0 FDADHL Cc1cc(=O)n2nc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)[n-]c2n1 ZINC000113770034 524721016 /nfs/dbraw/zinc/72/10/16/524721016.db2.gz BBNJHWWQLRFZSB-UHFFFAOYSA-N -2 3 374.209 1.834 20 0 FDADHL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000103059363 525318617 /nfs/dbraw/zinc/31/86/17/525318617.db2.gz WUQZNEYGFMDPDP-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000103059363 525318626 /nfs/dbraw/zinc/31/86/26/525318626.db2.gz WUQZNEYGFMDPDP-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000104837737 525443009 /nfs/dbraw/zinc/44/30/09/525443009.db2.gz GGEQHHFHDOIFFB-UHFFFAOYSA-N -2 3 353.342 1.199 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000104837737 525443016 /nfs/dbraw/zinc/44/30/16/525443016.db2.gz GGEQHHFHDOIFFB-UHFFFAOYSA-N -2 3 353.342 1.199 20 0 FDADHL Cc1sc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000119104956 525639147 /nfs/dbraw/zinc/63/91/47/525639147.db2.gz BTDUXBWOLUEZTD-UHFFFAOYSA-N -2 3 366.384 1.946 20 0 FDADHL Cc1sc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000119104956 525639154 /nfs/dbraw/zinc/63/91/54/525639154.db2.gz BTDUXBWOLUEZTD-UHFFFAOYSA-N -2 3 366.384 1.946 20 0 FDADHL Cc1cc(C(=O)N(CCN(C)C)C2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000155995076 526029776 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603110581 /nfs/dbraw/zinc/11/05/81/603110581.db2.gz MDFQZESMEMVZKG-UHFFFAOYSA-N -2 3 363.414 1.516 20 0 FDADHL CCCC[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000826815362 603921599 /nfs/dbraw/zinc/92/15/99/603921599.db2.gz RMOPGFHGMPYMAP-SECBINFHSA-N -2 3 352.844 1.487 20 0 FDADHL CCCC[C@H](CNC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000826801923 603962841 /nfs/dbraw/zinc/96/28/41/603962841.db2.gz YYASVAWPVSAMCE-SNVBAGLBSA-N -2 3 361.420 1.052 20 0 FDADHL O=C([O-])NCCCOC1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000832630042 604117808 /nfs/dbraw/zinc/11/78/08/604117808.db2.gz SGLHYNOWUWNPJI-UHFFFAOYSA-N -2 3 366.370 1.400 20 0 FDADHL CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829822392 604410056 /nfs/dbraw/zinc/41/00/56/604410056.db2.gz IEMXZMKZIJREER-SSDOTTSWSA-N -2 3 351.327 1.141 20 0 FDADHL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000832341565 604551873 /nfs/dbraw/zinc/55/18/73/604551873.db2.gz UGJNUEMHDKALLZ-HUUCEWRRSA-N -2 3 361.398 1.113 20 0 FDADHL Cc1c([O-])ccc2c(CN3CCO[C@@H]([C@@H](C)NC(=O)[O-])C3)cc(=O)oc12 ZINC000829884530 604593602 /nfs/dbraw/zinc/59/36/02/604593602.db2.gz PANSFSYKIGBYJK-IAQYHMDHSA-N -2 3 362.382 1.664 20 0 FDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)cc2)n1 ZINC000829894732 604755817 /nfs/dbraw/zinc/75/58/17/604755817.db2.gz WJHQAMYSHUBOPH-CQSZACIVSA-N -2 3 372.381 1.453 20 0 FDADHL CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833470282 605212470 /nfs/dbraw/zinc/21/24/70/605212470.db2.gz IVZRWNZQRLJGKO-CYBMUJFWSA-N -2 3 365.398 1.984 20 0 FDADHL O=C([O-])N[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000834250871 605683593 /nfs/dbraw/zinc/68/35/93/605683593.db2.gz JJQKIPIRXQUPBC-OAHLLOKOSA-N -2 3 357.366 1.247 20 0 FDADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)C1CC1 ZINC000834149455 605803746 /nfs/dbraw/zinc/80/37/46/605803746.db2.gz GMVQPVWLTVXFHO-VIFPVBQESA-N -2 3 364.221 1.169 20 0 FDADHL O=c1[n-]c(CCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)n[nH]1 ZINC000823664642 606126447 /nfs/dbraw/zinc/12/64/47/606126447.db2.gz BOGXIMLCQMDDQE-UHFFFAOYSA-N -2 3 354.296 1.754 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822267246 606460536 /nfs/dbraw/zinc/46/05/36/606460536.db2.gz POZXKIPSEZBMRI-UHFFFAOYSA-N -2 3 355.426 1.417 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822267246 606460537 /nfs/dbraw/zinc/46/05/37/606460537.db2.gz POZXKIPSEZBMRI-UHFFFAOYSA-N -2 3 355.426 1.417 20 0 FDADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820108280 606468231 /nfs/dbraw/zinc/46/82/31/606468231.db2.gz ICICDPNDAZSKIP-UHFFFAOYSA-N -2 3 365.444 1.718 20 0 FDADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820108280 606468232 /nfs/dbraw/zinc/46/82/32/606468232.db2.gz ICICDPNDAZSKIP-UHFFFAOYSA-N -2 3 365.444 1.718 20 0 FDADHL O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)[N-]OCc1ccccc1 ZINC000823022473 606569598 /nfs/dbraw/zinc/56/95/98/606569598.db2.gz HJZNLSYQZTYYAK-UHFFFAOYSA-N -2 3 359.367 1.333 20 0 FDADHL O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)[N-]OCc1ccccc1 ZINC000823022473 606569599 /nfs/dbraw/zinc/56/95/99/606569599.db2.gz HJZNLSYQZTYYAK-UHFFFAOYSA-N -2 3 359.367 1.333 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@H](C)C1 ZINC000822222773 606629305 /nfs/dbraw/zinc/62/93/05/606629305.db2.gz SNFWWVOMIWSPDN-MJWAUXSNSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@H](C)C1 ZINC000822222773 606629307 /nfs/dbraw/zinc/62/93/07/606629307.db2.gz SNFWWVOMIWSPDN-MJWAUXSNSA-N -2 3 361.427 1.726 20 0 FDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000823391870 606763776 /nfs/dbraw/zinc/76/37/76/606763776.db2.gz HSQRJLHEZZZZNK-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000823391947 606763978 /nfs/dbraw/zinc/76/39/78/606763978.db2.gz JJIPSPFHUIWPQD-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821962539 606892176 /nfs/dbraw/zinc/89/21/76/606892176.db2.gz RZPKKNKFGYRUPD-SSDOTTSWSA-N -2 3 363.415 1.565 20 0 FDADHL O=S(=O)([N-]CCC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572695 606895208 /nfs/dbraw/zinc/89/52/08/606895208.db2.gz LAWHZQIIWPCMBI-UHFFFAOYSA-N -2 3 357.264 1.376 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823588999 606980877 /nfs/dbraw/zinc/98/08/77/606980877.db2.gz HJDLUVIQMXKXSV-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823588999 606980878 /nfs/dbraw/zinc/98/08/78/606980878.db2.gz HJDLUVIQMXKXSV-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000822222905 607097279 /nfs/dbraw/zinc/09/72/79/607097279.db2.gz XQMKUBLIEOWELP-CMPLNLGQSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000822222905 607097280 /nfs/dbraw/zinc/09/72/80/607097280.db2.gz XQMKUBLIEOWELP-CMPLNLGQSA-N -2 3 363.443 1.806 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCCCCC(=O)[O-] ZINC000820541601 607108119 /nfs/dbraw/zinc/10/81/19/607108119.db2.gz HFIVXHHGJBUWRS-LBPRGKRZSA-N -2 3 361.402 1.785 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCCCCC(=O)[O-] ZINC000820541601 607108121 /nfs/dbraw/zinc/10/81/21/607108121.db2.gz HFIVXHHGJBUWRS-LBPRGKRZSA-N -2 3 361.402 1.785 20 0 FDADHL C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820234974 607126850 /nfs/dbraw/zinc/12/68/50/607126850.db2.gz PRBSPCBTZROOHD-DTWKUNHWSA-N -2 3 373.385 1.238 20 0 FDADHL Cn1c2cccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)c2oc1=O ZINC000826354610 607809527 /nfs/dbraw/zinc/80/95/27/607809527.db2.gz MTUTXOQSXSBORI-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL Cn1c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2oc1=O ZINC000826354610 607809528 /nfs/dbraw/zinc/80/95/28/607809528.db2.gz MTUTXOQSXSBORI-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801718 607922188 /nfs/dbraw/zinc/92/21/88/607922188.db2.gz GZUIWOMDNJEDSA-LBPRGKRZSA-N -2 3 363.443 1.888 20 0 FDADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801718 607922189 /nfs/dbraw/zinc/92/21/89/607922189.db2.gz GZUIWOMDNJEDSA-LBPRGKRZSA-N -2 3 363.443 1.888 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826232100 608142093 /nfs/dbraw/zinc/14/20/93/608142093.db2.gz MNLPKHAZWUBFRT-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826232100 608142094 /nfs/dbraw/zinc/14/20/94/608142094.db2.gz MNLPKHAZWUBFRT-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826226442 608331933 /nfs/dbraw/zinc/33/19/33/608331933.db2.gz ZKRDVGQCPOZSCM-VIFPVBQESA-N -2 3 355.445 1.203 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826226442 608331935 /nfs/dbraw/zinc/33/19/35/608331935.db2.gz ZKRDVGQCPOZSCM-VIFPVBQESA-N -2 3 355.445 1.203 20 0 FDADHL O=C([N-][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(F)(F)F ZINC000826476463 609266543 /nfs/dbraw/zinc/26/65/43/609266543.db2.gz IESXERQYOTUXPB-JTQLQIEISA-N -2 3 354.292 1.041 20 0 FDADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)OCO2 ZINC000826273044 609274057 /nfs/dbraw/zinc/27/40/57/609274057.db2.gz NFZLRCSRQQITAG-UHFFFAOYSA-N -2 3 360.355 1.100 20 0 FDADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)OCO2 ZINC000826273044 609274059 /nfs/dbraw/zinc/27/40/59/609274059.db2.gz NFZLRCSRQQITAG-UHFFFAOYSA-N -2 3 360.355 1.100 20 0 FDADHL CC(C)c1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000824358241 609340787 /nfs/dbraw/zinc/34/07/87/609340787.db2.gz DHXJIQFKIIMHCF-UHFFFAOYSA-N -2 3 369.794 1.827 20 0 FDADHL CC(C)c1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000824358241 609340788 /nfs/dbraw/zinc/34/07/88/609340788.db2.gz DHXJIQFKIIMHCF-UHFFFAOYSA-N -2 3 369.794 1.827 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000277999197 675076273 /nfs/dbraw/zinc/07/62/73/675076273.db2.gz KJLFCIAGPRXDOZ-JTQLQIEISA-N -2 3 367.782 1.554 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccn1 ZINC000016099721 670638388 /nfs/dbraw/zinc/63/83/88/670638388.db2.gz RRSDAPLRIJWHJX-UHFFFAOYSA-N -2 3 356.201 1.467 20 0 FDADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000060838679 671289756 /nfs/dbraw/zinc/28/97/56/671289756.db2.gz PKGBDXPSHKQCPL-UHFFFAOYSA-N -2 3 355.803 1.514 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)NCC1CC1 ZINC000064940254 671329455 /nfs/dbraw/zinc/32/94/55/671329455.db2.gz YFDPTKBKBLXNFF-UHFFFAOYSA-N -2 3 360.395 1.308 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000072777392 671395719 /nfs/dbraw/zinc/39/57/19/671395719.db2.gz UFYIRLOVCAYBLV-UHFFFAOYSA-N -2 3 356.407 1.804 20 0 FDADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccc(Cn2cccn2)o1 ZINC000078899653 671445407 /nfs/dbraw/zinc/44/54/07/671445407.db2.gz CALVDIMHCJSYOI-UHFFFAOYSA-N -2 3 360.757 1.958 20 0 FDADHL O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000132690407 671814685 /nfs/dbraw/zinc/81/46/85/671814685.db2.gz MHBYLZNORMLHIO-QMMMGPOBSA-N -2 3 352.192 1.688 20 0 FDADHL O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132690407 671814690 /nfs/dbraw/zinc/81/46/90/671814690.db2.gz MHBYLZNORMLHIO-QMMMGPOBSA-N -2 3 352.192 1.688 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000284061092 675671246 /nfs/dbraw/zinc/67/12/46/675671246.db2.gz PXIQGWSGPNZDEP-UHFFFAOYSA-N -2 3 359.791 1.943 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(F)c1 ZINC000416593637 679685426 /nfs/dbraw/zinc/68/54/26/679685426.db2.gz OGADGKOWYDFNPS-ZYHUDNBSSA-N -2 3 368.427 1.756 20 0 FDADHL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cnn1C ZINC000314460944 676554080 /nfs/dbraw/zinc/55/40/80/676554080.db2.gz CIQNJPHAOVHCIY-UHFFFAOYSA-N -2 3 374.216 1.990 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C(N)=O ZINC000327292423 676591020 /nfs/dbraw/zinc/59/10/20/676591020.db2.gz NHSDGFVDIGDVMW-UHFFFAOYSA-N -2 3 364.379 1.602 20 0 FDADHL CCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)o1 ZINC000414341522 679340685 /nfs/dbraw/zinc/34/06/85/679340685.db2.gz OHTBQIGQJCSMND-UHFFFAOYSA-N -2 3 358.347 1.318 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000439573825 681936161 /nfs/dbraw/zinc/93/61/61/681936161.db2.gz SPABHGOHDVCKEK-UHFFFAOYSA-N -2 3 358.445 1.384 20 0 FDADHL CN(C)c1noc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451413695 682877411 /nfs/dbraw/zinc/87/74/11/682877411.db2.gz YZFDSJZJMHFULJ-UHFFFAOYSA-N -2 3 366.321 1.339 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000484561422 686605293 /nfs/dbraw/zinc/60/52/93/686605293.db2.gz YTIZLGWQOVSYMY-UHFFFAOYSA-N -2 3 370.358 1.836 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000515379506 689849904 /nfs/dbraw/zinc/84/99/04/689849904.db2.gz CQSIVNXYEOVVHB-OLZOCXBDSA-N -2 3 351.384 1.307 20 0 FDADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)C(=O)[O-] ZINC000526061330 694643420 /nfs/dbraw/zinc/64/34/20/694643420.db2.gz OPCCRLQZVCWDEP-MRVPVSSYSA-N -2 3 362.820 1.186 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F)n1 ZINC000656383861 775307039 /nfs/dbraw/zinc/30/70/39/775307039.db2.gz UREBPIOXACYOHE-UHFFFAOYSA-N -2 3 371.431 1.096 20 0 FDADHL O=C([O-])CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C1CCCCC1 ZINC000652482255 805765720 /nfs/dbraw/zinc/76/57/20/805765720.db2.gz UQRROTNRAMSELI-UHFFFAOYSA-N -2 3 351.428 1.728 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)oc1C(=O)[O-] ZINC000663423320 806986647 /nfs/dbraw/zinc/98/66/47/806986647.db2.gz UIKLGJNKFFQYLJ-UHFFFAOYSA-N -2 3 367.379 1.926 20 0 FDADHL COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C2 ZINC000663423019 806987285 /nfs/dbraw/zinc/98/72/85/806987285.db2.gz QLTFSWBQUXWBLE-NSHDSACASA-N -2 3 367.379 1.577 20 0 FDADHL O=C(Nc1nnn[n-]1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436525318 816573425 /nfs/dbraw/zinc/57/34/25/816573425.db2.gz AVIRKYABTGYRFG-UHFFFAOYSA-N -2 3 360.280 1.688 20 0 FDADHL O=C(Nc1nn[n-]n1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436525318 816573430 /nfs/dbraw/zinc/57/34/30/816573430.db2.gz AVIRKYABTGYRFG-UHFFFAOYSA-N -2 3 360.280 1.688 20 0 FDADHL O=C(CNC(=O)c1ccc(F)cc1[O-])Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000441808587 820684529 /nfs/dbraw/zinc/68/45/29/820684529.db2.gz NLPYJTKITMFGDV-UHFFFAOYSA-N -2 3 372.312 1.254 20 0 FDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Br)cc(F)c1[O-] ZINC000898744507 845130902 /nfs/dbraw/zinc/13/09/02/845130902.db2.gz CZXKXJCPHBDKSL-SSDOTTSWSA-N -2 3 358.167 1.536 20 0 FDADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000899934728 846905969 /nfs/dbraw/zinc/90/59/69/846905969.db2.gz NDGUDGXTPOAHCG-SVRRBLITSA-N -2 3 372.262 1.585 20 0 FDADHL CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906886464 853503027 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FDADHL O=C([O-])[C@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)CC1CC1 ZINC000579719946 550903669 /nfs/dbraw/zinc/90/36/69/550903669.db2.gz FNBUWPMBQNLDNF-LBPRGKRZSA-N -2 3 359.382 1.109 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000580987141 551040106 /nfs/dbraw/zinc/04/01/06/551040106.db2.gz FHSVHOAJKJEHRZ-LBPRGKRZSA-N -2 3 354.453 1.927 20 0 FDADHL CCOC(=O)[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)[O-] ZINC000581287715 551071830 /nfs/dbraw/zinc/07/18/30/551071830.db2.gz NYIYKBBRSSOMOZ-AWEZNQCLSA-N -2 3 374.353 1.295 20 0 FDADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000582184787 551187901 /nfs/dbraw/zinc/18/79/01/551187901.db2.gz MDWQZILCMRHAMS-CDUCUWFYSA-N -2 3 372.624 1.215 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@@H]1CCCO1 ZINC000583629028 551379257 /nfs/dbraw/zinc/37/92/57/551379257.db2.gz KPEFHEJPUZLQCV-ONGXEEELSA-N -2 3 361.391 1.768 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cnc2n1 ZINC000584545564 551515139 /nfs/dbraw/zinc/51/51/39/551515139.db2.gz IVXNVDJOCNRRFL-JTQLQIEISA-N -2 3 355.354 1.752 20 0 FDADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](c3n[n-]c(=O)o3)C1)c2=O ZINC000584545564 551515141 /nfs/dbraw/zinc/51/51/41/551515141.db2.gz IVXNVDJOCNRRFL-JTQLQIEISA-N -2 3 355.354 1.752 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c[n-]1 ZINC000585730965 551589286 /nfs/dbraw/zinc/58/92/86/551589286.db2.gz SLGSLISTHSLECH-UHFFFAOYSA-N -2 3 351.384 1.712 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)[n-]1 ZINC000585730965 551589288 /nfs/dbraw/zinc/58/92/88/551589288.db2.gz SLGSLISTHSLECH-UHFFFAOYSA-N -2 3 351.384 1.712 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnc3ccsc3c2)c[n-]1 ZINC000585730981 551589413 /nfs/dbraw/zinc/58/94/13/551589413.db2.gz UUGPERGTSAHHJL-UHFFFAOYSA-N -2 3 352.397 1.997 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000590899307 551825984 /nfs/dbraw/zinc/82/59/84/551825984.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1C(=O)[O-] ZINC000609795904 554422103 /nfs/dbraw/zinc/42/21/03/554422103.db2.gz GPTNIYPBHQZHRY-QHCPKHFHSA-N -2 3 369.420 1.932 20 0 FDADHL CCC[C@@H](NC(=O)c1nn(-c2ccccc2CC)cc1[O-])c1nnn[n-]1 ZINC000612059840 554728105 /nfs/dbraw/zinc/72/81/05/554728105.db2.gz FSADGOCFDPACPX-GFCCVEGCSA-N -2 3 355.402 1.925 20 0 FDADHL CCC[C@@H](NC(=O)c1nn(-c2ccccc2CC)cc1[O-])c1nn[n-]n1 ZINC000612059840 554728106 /nfs/dbraw/zinc/72/81/06/554728106.db2.gz FSADGOCFDPACPX-GFCCVEGCSA-N -2 3 355.402 1.925 20 0 FDADHL O=C(CCC1(CCC(=O)Nc2ccncc2[O-])CC1)Nc1ccncc1[O-] ZINC000613085922 554881865 /nfs/dbraw/zinc/88/18/65/554881865.db2.gz FCMLIHHVXHEOOH-UHFFFAOYSA-N -2 3 370.409 1.649 20 0 FDADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000614823815 555122805 /nfs/dbraw/zinc/12/28/05/555122805.db2.gz GYWZUSOGXMFQSV-ZJUUUORDSA-N -2 3 371.397 1.553 20 0 FDADHL CCN(CC)Cc1ccc(C(=O)N=c2[n-]nc([N-]S(C)(=O)=O)s2)o1 ZINC000622055982 556213657 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O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCOC1 ZINC000630432519 557908847 /nfs/dbraw/zinc/90/88/47/557908847.db2.gz MZLIKSPRXJHTPT-CYBMUJFWSA-N -2 3 351.783 1.639 20 0 FDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745435 568337263 /nfs/dbraw/zinc/33/72/63/568337263.db2.gz ZXZLRPNAMMZQJW-UHFFFAOYSA-N -2 3 356.342 1.085 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000234770422 568507440 /nfs/dbraw/zinc/50/74/40/568507440.db2.gz SXGVAAFRQMQYLU-SECBINFHSA-N -2 3 372.624 1.480 20 0 FDADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737285244 598844938 /nfs/dbraw/zinc/84/49/38/598844938.db2.gz PTMLZWQMSBVWEE-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737285244 598844940 /nfs/dbraw/zinc/84/49/40/598844940.db2.gz PTMLZWQMSBVWEE-UHFFFAOYSA-N -2 3 373.373 1.991 20 0 FDADHL CCCn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736501530 598866942 /nfs/dbraw/zinc/86/69/42/598866942.db2.gz DTLYUYQVGYPSRS-UHFFFAOYSA-N -2 3 367.822 1.927 20 0 FDADHL Cc1cn2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2n1 ZINC000737445900 598911344 /nfs/dbraw/zinc/91/13/44/598911344.db2.gz LJQYCDVIHKRMEA-UHFFFAOYSA-N -2 3 373.373 1.763 20 0 FDADHL Cc1cn2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2n1 ZINC000737445900 598911345 /nfs/dbraw/zinc/91/13/45/598911345.db2.gz LJQYCDVIHKRMEA-UHFFFAOYSA-N -2 3 373.373 1.763 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736180458 599220055 /nfs/dbraw/zinc/22/00/55/599220055.db2.gz IVIHZDYWCICEHU-DGCLKSJQSA-N -2 3 371.397 1.347 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736180458 599220058 /nfs/dbraw/zinc/22/00/58/599220058.db2.gz IVIHZDYWCICEHU-DGCLKSJQSA-N -2 3 371.397 1.347 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(C)c1C ZINC000821845916 599234453 /nfs/dbraw/zinc/23/44/53/599234453.db2.gz LVYRHFGJRBNGNN-UHFFFAOYSA-N -2 3 360.399 1.688 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC(=O)[O-])C(C)C ZINC000821159581 598071477 /nfs/dbraw/zinc/07/14/77/598071477.db2.gz DBTUGAIOJJUTRQ-UHFFFAOYSA-N -2 3 358.398 1.395 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737391798 598373319 /nfs/dbraw/zinc/37/33/19/598373319.db2.gz IMKORQVBGTVKHB-UHFFFAOYSA-N -2 3 357.395 1.223 20 0 FDADHL Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737391798 598373321 /nfs/dbraw/zinc/37/33/21/598373321.db2.gz IMKORQVBGTVKHB-UHFFFAOYSA-N -2 3 357.395 1.223 20 0 FDADHL O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136620 598597399 /nfs/dbraw/zinc/59/73/99/598597399.db2.gz HOSCWYPQZMDJTI-CABCVRRESA-N -2 3 358.402 1.410 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736423233 598785109 /nfs/dbraw/zinc/78/51/09/598785109.db2.gz MMSQZSOFFRPQHU-PRDAAYKISA-N -2 3 363.443 1.762 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736423233 598785111 /nfs/dbraw/zinc/78/51/11/598785111.db2.gz MMSQZSOFFRPQHU-PRDAAYKISA-N -2 3 363.443 1.762 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736422295 598785306 /nfs/dbraw/zinc/78/53/06/598785306.db2.gz GZLSGZDIDAYYSH-NSHDSACASA-N -2 3 367.431 1.128 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736422295 598785307 /nfs/dbraw/zinc/78/53/07/598785307.db2.gz GZLSGZDIDAYYSH-NSHDSACASA-N -2 3 367.431 1.128 20 0 FDADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(=O)[O-])c1 ZINC000736691131 598793369 /nfs/dbraw/zinc/79/33/69/598793369.db2.gz OQHYYKHVPPFPCZ-UHFFFAOYSA-N -3 3 374.382 1.323 20 0 FDADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(=O)[O-])c1 ZINC000736691131 598793370 /nfs/dbraw/zinc/79/33/70/598793370.db2.gz OQHYYKHVPPFPCZ-UHFFFAOYSA-N -3 3 374.382 1.323 20 0 FDADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000820108771 599304911 /nfs/dbraw/zinc/30/49/11/599304911.db2.gz RUMZAOCBPZNZRK-UHFFFAOYSA-N -2 3 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ZINC000827342586 605344375 /nfs/dbraw/zinc/34/43/75/605344375.db2.gz BFQHDGOPNMEFNV-GFCCVEGCSA-N -2 3 366.370 1.666 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000823759928 605551490 /nfs/dbraw/zinc/55/14/90/605551490.db2.gz LZNRLZZVTKYAEF-LBPRGKRZSA-N -2 3 358.416 1.784 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)s1 ZINC000822431823 606210455 /nfs/dbraw/zinc/21/04/55/606210455.db2.gz LEMYHIMKKBQDEY-UHFFFAOYSA-N -2 3 352.401 1.446 20 0 FDADHL COCc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000821695726 606211845 /nfs/dbraw/zinc/21/18/45/606211845.db2.gz FPGGYBXATQCOEE-UHFFFAOYSA-N -2 3 361.383 1.520 20 0 FDADHL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000822698701 606359729 /nfs/dbraw/zinc/35/97/29/606359729.db2.gz BIMHNVKNZDZJOD-UHFFFAOYSA-N -2 3 373.373 1.693 20 0 FDADHL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000822698701 606359730 /nfs/dbraw/zinc/35/97/30/606359730.db2.gz BIMHNVKNZDZJOD-UHFFFAOYSA-N -2 3 373.373 1.693 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823285221 606410143 /nfs/dbraw/zinc/41/01/43/606410143.db2.gz OIIXLWWEPUWUIA-WDEREUQCSA-N -2 3 367.818 1.371 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823285221 606410146 /nfs/dbraw/zinc/41/01/46/606410146.db2.gz OIIXLWWEPUWUIA-WDEREUQCSA-N -2 3 367.818 1.371 20 0 FDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000819971907 606606310 /nfs/dbraw/zinc/60/63/10/606606310.db2.gz XBHOVGPCDNDLSQ-UHFFFAOYSA-N -2 3 365.394 1.758 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820051619 606612085 /nfs/dbraw/zinc/61/20/85/606612085.db2.gz RMRPOLDEYBXNTA-UHFFFAOYSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820051619 606612087 /nfs/dbraw/zinc/61/20/87/606612087.db2.gz RMRPOLDEYBXNTA-UHFFFAOYSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@H]2CCCCO2)n1 ZINC000819971316 606706488 /nfs/dbraw/zinc/70/64/88/606706488.db2.gz IGRMAKSXTZGBNA-SNVBAGLBSA-N -2 3 369.451 1.129 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000822623418 606710250 /nfs/dbraw/zinc/71/02/50/606710250.db2.gz WLNSBLALUIBOQQ-UHFFFAOYSA-N -2 3 371.329 1.002 20 0 FDADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823266582 606807204 /nfs/dbraw/zinc/80/72/04/606807204.db2.gz ZPQWSNIGCVLFNE-UHFFFAOYSA-N -2 3 369.267 1.031 20 0 FDADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823266582 606807205 /nfs/dbraw/zinc/80/72/05/606807205.db2.gz ZPQWSNIGCVLFNE-UHFFFAOYSA-N -2 3 369.267 1.031 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000822444363 606886741 /nfs/dbraw/zinc/88/67/41/606886741.db2.gz NPHDYQXFBCLYKI-UHFFFAOYSA-N -2 3 372.382 1.388 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589399 606981073 /nfs/dbraw/zinc/98/10/73/606981073.db2.gz YBRZZNYDNYICQE-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589399 606981075 /nfs/dbraw/zinc/98/10/75/606981075.db2.gz YBRZZNYDNYICQE-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCCCCC(=O)[O-] ZINC000820541599 607108334 /nfs/dbraw/zinc/10/83/34/607108334.db2.gz HFIVXHHGJBUWRS-GFCCVEGCSA-N -2 3 361.402 1.785 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCCCCC(=O)[O-] ZINC000820541599 607108335 /nfs/dbraw/zinc/10/83/35/607108335.db2.gz HFIVXHHGJBUWRS-GFCCVEGCSA-N -2 3 361.402 1.785 20 0 FDADHL O=C([O-])CCc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823387819 607110904 /nfs/dbraw/zinc/11/09/04/607110904.db2.gz ZGQJVKATUIGDDO-UHFFFAOYSA-N -2 3 367.365 1.901 20 0 FDADHL O=C([O-])Cc1ccc(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823387124 607207882 /nfs/dbraw/zinc/20/78/82/607207882.db2.gz DANRHRDQSKPINH-UHFFFAOYSA-N -2 3 373.394 1.436 20 0 FDADHL O=C([O-])Cc1ccc(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823387124 607207883 /nfs/dbraw/zinc/20/78/83/607207883.db2.gz DANRHRDQSKPINH-UHFFFAOYSA-N -2 3 373.394 1.436 20 0 FDADHL CCOC(=O)Cc1nnc([N-]C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000825517584 607775104 /nfs/dbraw/zinc/77/51/04/607775104.db2.gz GNQOHRINMUUVPD-UHFFFAOYSA-N -2 3 365.400 1.138 20 0 FDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825348596 607776404 /nfs/dbraw/zinc/77/64/04/607776404.db2.gz RHUWSIYFHMKZRF-UHFFFAOYSA-N -2 3 360.399 1.266 20 0 FDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825348596 607776405 /nfs/dbraw/zinc/77/64/05/607776405.db2.gz RHUWSIYFHMKZRF-UHFFFAOYSA-N -2 3 360.399 1.266 20 0 FDADHL O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450002 607777605 /nfs/dbraw/zinc/77/76/05/607777605.db2.gz SHHWTRYJTNIGIR-UHFFFAOYSA-N -2 3 370.394 1.242 20 0 FDADHL O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450002 607777606 /nfs/dbraw/zinc/77/76/06/607777606.db2.gz SHHWTRYJTNIGIR-UHFFFAOYSA-N -2 3 370.394 1.242 20 0 FDADHL O=C([O-])CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826461139 608010833 /nfs/dbraw/zinc/01/08/33/608010833.db2.gz HQSWNLQRTCSCIQ-UHFFFAOYSA-N -2 3 373.822 1.443 20 0 FDADHL O=C([O-])CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826461139 608010834 /nfs/dbraw/zinc/01/08/34/608010834.db2.gz HQSWNLQRTCSCIQ-UHFFFAOYSA-N -2 3 373.822 1.443 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000826254879 608011344 /nfs/dbraw/zinc/01/13/44/608011344.db2.gz DFFUKGDPYPSEKI-NSHDSACASA-N -2 3 365.415 1.051 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000826254879 608011345 /nfs/dbraw/zinc/01/13/45/608011345.db2.gz DFFUKGDPYPSEKI-NSHDSACASA-N -2 3 365.415 1.051 20 0 FDADHL C[C@H]1CC([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824893841 608447889 /nfs/dbraw/zinc/44/78/89/608447889.db2.gz VMNSSSNADDNIAJ-YUMQZZPRSA-N -2 3 373.385 1.379 20 0 FDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456292 609250931 /nfs/dbraw/zinc/25/09/31/609250931.db2.gz XQADGKVLPVVCQP-CYBMUJFWSA-N -2 3 368.378 1.969 20 0 FDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456292 609250932 /nfs/dbraw/zinc/25/09/32/609250932.db2.gz XQADGKVLPVVCQP-CYBMUJFWSA-N -2 3 368.378 1.969 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000824729097 609259425 /nfs/dbraw/zinc/25/94/25/609259425.db2.gz IOBXYCHHBMRXDY-TZMCWYRMSA-N -2 3 373.413 1.880 20 0 FDADHL O=S(=O)([N-]c1ncccc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826493235 609342299 /nfs/dbraw/zinc/34/22/99/609342299.db2.gz ACFOQWAOKOFWEC-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1O ZINC000826217612 609423289 /nfs/dbraw/zinc/42/32/89/609423289.db2.gz VDZSWXCVGHVNNN-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1O ZINC000826217612 609423291 /nfs/dbraw/zinc/42/32/91/609423291.db2.gz VDZSWXCVGHVNNN-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000037385777 670880291 /nfs/dbraw/zinc/88/02/91/670880291.db2.gz KZXSGGNJMBZYRI-MRVPVSSYSA-N -3 3 356.183 1.590 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccccc1Br ZINC000049124666 671089825 /nfs/dbraw/zinc/08/98/25/671089825.db2.gz AHAJVJGEFNHDDL-UHFFFAOYSA-N -2 3 350.238 1.742 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1NC(C)=O ZINC000065833073 671334833 /nfs/dbraw/zinc/33/48/33/671334833.db2.gz QQKFUXVOGILKNC-UHFFFAOYSA-N -2 3 370.431 1.089 20 0 FDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161824537 672013213 /nfs/dbraw/zinc/01/32/13/672013213.db2.gz YSHMPXLLNBNLQC-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285285615 675816064 /nfs/dbraw/zinc/81/60/64/675816064.db2.gz WZFIVKGVTUEMAV-SSDLBLMSSA-N -2 3 361.725 1.471 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccnn3C)c2)n1 ZINC000363094602 676934715 /nfs/dbraw/zinc/93/47/15/676934715.db2.gz DICBGGMPYVGGOB-UHFFFAOYSA-N -2 3 359.411 1.946 20 0 FDADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(F)(F)F ZINC000377127470 678457833 /nfs/dbraw/zinc/45/78/33/678457833.db2.gz MOCSHVKIXZOFBJ-SECBINFHSA-N -2 3 369.365 1.541 20 0 FDADHL Cc1c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cnn1C ZINC000427206911 680969336 /nfs/dbraw/zinc/96/93/36/680969336.db2.gz VFQPCOOIQPNWSV-UHFFFAOYSA-N -2 3 359.411 1.588 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(N3CC[NH+]=C3[O-])ccc2F)c[n-]1 ZINC000430978537 681102903 /nfs/dbraw/zinc/10/29/03/681102903.db2.gz JSCGTLRVNIPMOA-UHFFFAOYSA-N -3 3 368.346 1.182 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433370308 681184659 /nfs/dbraw/zinc/18/46/59/681184659.db2.gz FCNWJTYVNOPUAL-UHFFFAOYSA-N -2 3 362.408 1.214 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c1 ZINC000436169313 681672658 /nfs/dbraw/zinc/67/26/58/681672658.db2.gz HEBHNRNPZYISFQ-UHFFFAOYSA-N -2 3 351.306 1.954 20 0 FDADHL CCc1cc(=O)[n-]c(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)n1 ZINC000436262153 681682208 /nfs/dbraw/zinc/68/22/08/681682208.db2.gz QMBRIWQMEUAJNV-UHFFFAOYSA-N -2 3 350.425 1.859 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000436479645 681697824 /nfs/dbraw/zinc/69/78/24/681697824.db2.gz VGUNEJGYKLYKGB-UHFFFAOYSA-N -2 3 363.351 1.562 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)ccc1O ZINC000436806504 681731199 /nfs/dbraw/zinc/73/11/99/681731199.db2.gz GDQQMFYJONHTBC-UHFFFAOYSA-N -2 3 365.363 1.986 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c1 ZINC000436858338 681738186 /nfs/dbraw/zinc/73/81/86/681738186.db2.gz SSGTYOLZBUDNAW-UHFFFAOYSA-N -3 3 351.262 1.633 20 0 FDADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)ccc1[O-] ZINC000443464176 682301370 /nfs/dbraw/zinc/30/13/70/682301370.db2.gz VBYJZPFKKBAXHZ-UHFFFAOYSA-N -2 3 351.388 1.007 20 0 FDADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000467437941 684861166 /nfs/dbraw/zinc/86/11/66/684861166.db2.gz KFSCQPNXHSGBKZ-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc(C(=O)[O-])c1 ZINC000507564993 688649509 /nfs/dbraw/zinc/64/95/09/688649509.db2.gz IPNSISURFIZTIL-UHFFFAOYSA-N -3 3 360.347 1.378 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)no1 ZINC000514607471 689740422 /nfs/dbraw/zinc/74/04/22/689740422.db2.gz ZMGLUQKXPIRFHQ-UHFFFAOYSA-N -2 3 351.384 1.434 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(OC)c1 ZINC000516648263 689976424 /nfs/dbraw/zinc/97/64/24/689976424.db2.gz OXCFIYRXMRNBAR-UHFFFAOYSA-N -2 3 372.424 1.380 20 0 FDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000520236098 690300002 /nfs/dbraw/zinc/30/00/02/690300002.db2.gz MGPHANDPNLXZDY-SCZZXKLOSA-N -2 3 363.461 1.659 20 0 FDADHL O=C(C=Cc1ccccc1)N1CCC(C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000588514490 782555759 /nfs/dbraw/zinc/55/57/59/782555759.db2.gz CUKVJRHLSTUJPH-TWGQIWQCSA-N -2 3 352.394 1.495 20 0 FDADHL CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000659772151 790355176 /nfs/dbraw/zinc/35/51/76/790355176.db2.gz OUTWVFOXJDSKRZ-SSDOTTSWSA-N -2 3 354.837 1.001 20 0 FDADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000647615951 788235672 /nfs/dbraw/zinc/23/56/72/788235672.db2.gz MYFTVRIMGXJOKM-SCZZXKLOSA-N -2 3 363.233 1.766 20 0 FDADHL O=C([O-])C1(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000659419315 788845650 /nfs/dbraw/zinc/84/56/50/788845650.db2.gz SAOZHHSJYAQENT-UHFFFAOYSA-N -2 3 361.398 1.115 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663286308 806332665 /nfs/dbraw/zinc/33/26/65/806332665.db2.gz QNUXCBDXUCQOEN-LLVKDONJSA-N -2 3 356.425 1.496 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)CC(=O)[O-] ZINC000663292386 806343823 /nfs/dbraw/zinc/34/38/23/806343823.db2.gz WUSPMFPEFDGDMV-LBPRGKRZSA-N -2 3 370.452 1.887 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)o1 ZINC000652089063 799826034 /nfs/dbraw/zinc/82/60/34/799826034.db2.gz PPLSDNMYYUCOKI-NSHDSACASA-N -2 3 360.432 1.363 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1OC ZINC000663093950 805397024 /nfs/dbraw/zinc/39/70/24/805397024.db2.gz CSWKPKZJOHOHKG-CYBMUJFWSA-N -2 3 356.400 1.506 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3nc(C)ncc3C2)oc1C(=O)[O-] ZINC000663421352 806983291 /nfs/dbraw/zinc/98/32/91/806983291.db2.gz MZDJZRUHRUEVAF-LLVKDONJSA-N -2 3 351.384 1.220 20 0 FDADHL CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000517007502 817164439 /nfs/dbraw/zinc/16/44/39/817164439.db2.gz UKKICSPENGNANL-HNNXBMFYSA-N -2 3 367.361 1.730 20 0 FDADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000840781552 826739696 /nfs/dbraw/zinc/73/96/96/826739696.db2.gz FRUCUDUCYPGNCK-UHFFFAOYSA-N -2 3 360.363 1.574 20 0 FDADHL C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906982093 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ZINC001591735718 975727724 /nfs/dbraw/zinc/72/77/24/975727724.db2.gz XKSHUXKSYSYBOO-VIFPVBQESA-N -2 3 370.387 1.127 20 0 FDADHL CC(C)c1nccn1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592039009 976760023 /nfs/dbraw/zinc/76/00/23/976760023.db2.gz GGXBPKAFSXXXAF-UHFFFAOYSA-N -2 3 373.381 1.961 20 0 FDADHL CC(C)[C@@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-] ZINC000848591101 976925939 /nfs/dbraw/zinc/92/59/39/976925939.db2.gz YJUNKAVCZXIWTM-LLVKDONJSA-N -2 3 367.368 1.443 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000848676046 976991238 /nfs/dbraw/zinc/99/12/38/976991238.db2.gz MCYVHOBQIHTJQP-LRDDRELGSA-N -2 3 373.402 1.842 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000782212445 978791590 /nfs/dbraw/zinc/79/15/90/978791590.db2.gz PLSSTIKEKVNDMK-UHFFFAOYSA-N -2 3 363.417 1.576 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000829279722 978996784 /nfs/dbraw/zinc/99/67/84/978996784.db2.gz 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Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C)o1 ZINC000826272551 980712393 /nfs/dbraw/zinc/71/23/93/980712393.db2.gz PHVSNEDXGMQJFT-FPLPWBNLSA-N -2 3 373.394 1.595 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C)o1 ZINC000826272551 980712398 /nfs/dbraw/zinc/71/23/98/980712398.db2.gz PHVSNEDXGMQJFT-FPLPWBNLSA-N -2 3 373.394 1.595 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826322469 982148251 /nfs/dbraw/zinc/14/82/51/982148251.db2.gz NVRSLMUKXYMKNC-UHFFFAOYSA-N -2 3 357.758 1.492 20 0 FDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC001595686717 982176114 /nfs/dbraw/zinc/17/61/14/982176114.db2.gz GQGIHRYKZDINFX-LLVKDONJSA-N -2 3 361.391 1.924 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1-c1nnn[n-]1 ZINC000826334454 982299951 /nfs/dbraw/zinc/29/99/51/982299951.db2.gz VSGKROPHBTWZSN-UHFFFAOYSA-N -2 3 371.785 1.502 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826334454 982299964 /nfs/dbraw/zinc/29/99/64/982299964.db2.gz VSGKROPHBTWZSN-UHFFFAOYSA-N -2 3 371.785 1.502 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC001588662178 983788726 /nfs/dbraw/zinc/78/87/26/983788726.db2.gz YJIPNXKISNRFNT-CYBMUJFWSA-N -2 3 350.371 1.467 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c[n-]1 ZINC001596749372 985086844 /nfs/dbraw/zinc/08/68/44/985086844.db2.gz GGMRGYNAGWTQPP-UHFFFAOYSA-N -3 3 369.355 1.094 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(CF)CF)c(F)c1 ZINC000885414109 985380334 /nfs/dbraw/zinc/38/03/34/985380334.db2.gz SRWVUQYCHACIDZ-UHFFFAOYSA-N -2 3 374.406 1.563 20 0 FDADHL CCOc1cc(CN2CC(n3cc(C(=O)[O-])nn3)C2)cc(Cl)c1[O-] ZINC001597031889 986452597 /nfs/dbraw/zinc/45/25/97/986452597.db2.gz OYKKRYPDBPHMPD-UHFFFAOYSA-N -2 3 352.778 1.791 20 0 FDADHL CC(=O)c1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1[O-] ZINC000653462315 1015242558 /nfs/dbraw/zinc/24/25/58/1015242558.db2.gz YNVUVMGKRKKXKP-CYBMUJFWSA-N -2 3 374.393 1.133 20 0 FDADHL CCOc1ccc(C[C@@H](C[N-]S(=O)(=O)c2conc2C)C(=O)[O-])cc1 ZINC001597095956 986700037 /nfs/dbraw/zinc/70/00/37/986700037.db2.gz WKCIHZJLIACKPQ-ZDUSSCGKSA-N -2 3 368.411 1.604 20 0 FDADHL C[C@@H]1OC[C@]2(CC[C@@H](C[N-]S(=O)(=O)c3occc3C(=O)[O-])O2)[C@H]1C ZINC001594639983 986783673 /nfs/dbraw/zinc/78/36/73/986783673.db2.gz MDBFSZRHIYQFBR-USXUVBGUSA-N -2 3 359.400 1.229 20 0 FDADHL C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001589457832 986896642 /nfs/dbraw/zinc/89/66/42/986896642.db2.gz ACBUFRHJYIWTNH-CABZTGNLSA-N -2 3 372.385 1.280 20 0 FDADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(=O)[O-] ZINC001589710376 987834873 /nfs/dbraw/zinc/83/48/73/987834873.db2.gz OSNHUDOZFKNSHT-ZETCQYMHSA-N -3 3 350.418 1.257 20 0 FDADHL CC(C)(C)OC(=O)CN(CCC[N-]C(=O)C(F)(F)F)CCC(=O)[O-] ZINC001589892855 988588458 /nfs/dbraw/zinc/58/84/58/988588458.db2.gz WKAXIQIWNXOTCU-UHFFFAOYSA-N -2 3 356.341 1.173 20 0 FDADHL O=C(c1ncccc1[O-])N(C1CC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000363777771 989436588 /nfs/dbraw/zinc/43/65/88/989436588.db2.gz WSJURVIVXTWFAF-ZDUSSCGKSA-N -2 3 368.393 1.407 20 0 FDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001590649545 990339484 /nfs/dbraw/zinc/33/94/84/990339484.db2.gz PFKIDFMBCOSXCG-UHFFFAOYSA-N -3 3 370.177 1.272 20 0 FDADHL CN(C)c1nc(C(=O)Nc2cccnc2SCCC(=O)[O-])cc(=O)[n-]1 ZINC001598354290 991467622 /nfs/dbraw/zinc/46/76/22/991467622.db2.gz JQDNIZSGBUCFML-UHFFFAOYSA-N -2 3 363.399 1.462 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1)C1CCCCC1 ZINC001599743002 991888060 /nfs/dbraw/zinc/88/80/60/991888060.db2.gz BKORCZHIWVCEJM-FIKIJFGZSA-N -2 3 350.462 1.425 20 0 FDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cccc(C(=O)[O-])n1 ZINC001599759774 992105226 /nfs/dbraw/zinc/10/52/26/992105226.db2.gz GBSVOOVMUQNHED-UHFFFAOYSA-N -2 3 367.358 1.220 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001591441866 992539259 /nfs/dbraw/zinc/53/92/59/992539259.db2.gz UWBHAUJGGHCLPD-SECBINFHSA-N -3 3 367.782 1.955 20 0 FDADHL C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593184536 994090660 /nfs/dbraw/zinc/09/06/60/994090660.db2.gz GPVMDLAYHNFYBV-JGVFFNPUSA-N -2 3 364.383 1.335 20 0 FDADHL COc1ccc2c(C)c(CCC(=O)[N-]OCCCC(=O)[O-])c(=O)oc2c1 ZINC001599624535 994130038 /nfs/dbraw/zinc/13/00/38/994130038.db2.gz URLQYNROFVDZJP-UHFFFAOYSA-N -2 3 363.366 1.955 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c(C)o1 ZINC001598673450 994798474 /nfs/dbraw/zinc/79/84/74/994798474.db2.gz OCPJQYIJSSOTDE-UHFFFAOYSA-N -2 3 364.379 1.397 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001593347465 994957455 /nfs/dbraw/zinc/95/74/55/994957455.db2.gz LRHVQTHBSHRMHR-ZCAPAMDOSA-N -2 3 374.465 1.618 20 0 FDADHL COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598698096 995175423 /nfs/dbraw/zinc/17/54/23/995175423.db2.gz RTMUNDGTXJKFRM-LBPRGKRZSA-N -2 3 359.400 1.768 20 0 FDADHL C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1F ZINC001593432758 995261548 /nfs/dbraw/zinc/26/15/48/995261548.db2.gz QJFHETKYEXXDBR-YMTOWFKASA-N -2 3 354.359 1.319 20 0 FDADHL C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593552643 995630825 /nfs/dbraw/zinc/63/08/25/995630825.db2.gz DSOPOTJSNFCQGO-SNVBAGLBSA-N -2 3 361.354 1.538 20 0 FDADHL CC1(C)CC[C@@H](O)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001593918849 996827120 /nfs/dbraw/zinc/82/71/20/996827120.db2.gz IHLIVRCLEMJXKJ-NXEZZACHSA-N -2 3 363.382 1.881 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC001599385151 996931672 /nfs/dbraw/zinc/93/16/72/996931672.db2.gz PMDXZXKARLXTRA-SECBINFHSA-N -2 3 363.335 1.047 20 0 FDADHL CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H]1O ZINC001593981138 997199070 /nfs/dbraw/zinc/19/90/70/997199070.db2.gz BWCJVXLWEBXUTG-PWSUYJOCSA-N -2 3 372.424 1.326 20 0 FDADHL COc1cc(C[N-]S(=O)(=O)c2ccc(F)nc2F)ccc1C(=O)[O-] ZINC001599416551 997520740 /nfs/dbraw/zinc/52/07/40/997520740.db2.gz AIGLWMGQAYCHQY-UHFFFAOYSA-N -2 3 358.322 1.545 20 0 FDADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])(CC(=O)[O-])C1 ZINC001594308587 999191403 /nfs/dbraw/zinc/19/14/03/999191403.db2.gz MVBKTOFVQBGGLB-SDBXPKJASA-N -3 3 362.429 1.401 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC001599057784 999242647 /nfs/dbraw/zinc/24/26/47/999242647.db2.gz VDGPDHHLURSVEJ-GXFFZTMASA-N -2 3 363.819 1.831 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1OC ZINC000647121649 1009492104 /nfs/dbraw/zinc/49/21/04/1009492104.db2.gz MXAYYKMNZLSJKQ-QWHCGFSZSA-N -2 3 370.427 1.752 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C(=O)[O-])c1 ZINC000507613504 538920418 /nfs/dbraw/zinc/92/04/18/538920418.db2.gz RKLYPWKUWTYVAS-UHFFFAOYSA-N -4 3 367.335 1.598 20 0 FDADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)OC)c1 ZINC000530149177 539895789 /nfs/dbraw/zinc/89/57/89/539895789.db2.gz NSPXGYYRFVVEQX-ZDUSSCGKSA-N -2 3 355.368 1.652 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1 ZINC000530420357 539967032 /nfs/dbraw/zinc/96/70/32/539967032.db2.gz HKZJUQVPOXGPOH-CYBMUJFWSA-N -2 3 359.375 1.534 20 0 FDADHL Cc1c([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])cnn1C ZINC000530435282 539972550 /nfs/dbraw/zinc/97/25/50/539972550.db2.gz NCTICKPPWVGSAW-GFCCVEGCSA-N -2 3 363.317 1.250 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1)C(=O)[O-] ZINC000274119731 181028449 /nfs/dbraw/zinc/02/84/49/181028449.db2.gz YMGKJKVDAAUMLI-SNVBAGLBSA-N -2 3 351.327 1.283 20 0 FDADHL CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000274515838 181112128 /nfs/dbraw/zinc/11/21/28/181112128.db2.gz IDEOQCFJIUUTKX-UHFFFAOYSA-N -2 3 356.853 1.069 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(=O)[O-])nc1Cl ZINC000274899461 181190503 /nfs/dbraw/zinc/19/05/03/181190503.db2.gz HSYKCUADYLUCDC-LLVKDONJSA-N -2 3 357.819 1.438 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)s2)cs1 ZINC000274926091 181196316 /nfs/dbraw/zinc/19/63/16/181196316.db2.gz NXDUNJGWXDMQNI-KBUNVGBDSA-N -2 3 362.454 1.292 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000275063630 181228789 /nfs/dbraw/zinc/22/87/89/181228789.db2.gz ZKEWHMINEBYDQP-UHFFFAOYSA-N -2 3 353.425 1.901 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1OC ZINC000275264904 181274913 /nfs/dbraw/zinc/27/49/13/181274913.db2.gz MQCXDXVAVQIBGH-ZETCQYMHSA-N -2 3 357.306 1.230 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])c1F ZINC000275284599 181279957 /nfs/dbraw/zinc/27/99/57/181279957.db2.gz OQQDPVBZCVUHCZ-CYBMUJFWSA-N -2 3 352.387 1.751 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccccc1CC(=O)[O-] ZINC000275320929 181289715 /nfs/dbraw/zinc/28/97/15/181289715.db2.gz SGHOQUQHWVSTID-UHFFFAOYSA-N -2 3 357.819 1.488 20 0 FDADHL C[C@]1(c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)NC(=O)[N-]C1=O 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CSCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000547594304 542385959 /nfs/dbraw/zinc/38/59/59/542385959.db2.gz GSSYITYIYLUTNX-QMMMGPOBSA-N -2 3 358.363 1.585 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](Cc1ccccn1)C(=O)[O-] ZINC000547875298 542472459 /nfs/dbraw/zinc/47/24/59/542472459.db2.gz BNGQBIBWXPHQRR-JTQLQIEISA-N -2 3 356.425 1.374 20 0 FDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000547879359 542474202 /nfs/dbraw/zinc/47/42/02/542474202.db2.gz BBCRNEULHGDWFP-LLVKDONJSA-N -2 3 361.782 1.416 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547880818 542474679 /nfs/dbraw/zinc/47/46/79/542474679.db2.gz CFSPYDLGMPFFTB-WPRPVWTQSA-N -2 3 368.333 1.259 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000547917968 542487682 /nfs/dbraw/zinc/48/76/82/542487682.db2.gz DCGVJYHTPWJAKP-YGOSKHQISA-N -2 3 353.444 1.666 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)s1 ZINC000547934544 542492154 /nfs/dbraw/zinc/49/21/54/542492154.db2.gz DTXIWXVIVIZMPG-UHFFFAOYSA-N -2 3 358.397 1.154 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(C)o1 ZINC000547938323 542493461 /nfs/dbraw/zinc/49/34/61/542493461.db2.gz RQDRPXAYPVENFN-ZJUUUORDSA-N -2 3 361.416 1.932 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)CC(=O)[O-] ZINC000547937820 542493676 /nfs/dbraw/zinc/49/36/76/542493676.db2.gz GINAKTAKVXQMAN-SECBINFHSA-N -2 3 358.391 1.490 20 0 FDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 ZINC000547939566 542494277 /nfs/dbraw/zinc/49/42/77/542494277.db2.gz MLISBAJKXKAUDX-BQBZGAKWSA-N -2 3 358.759 1.082 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000548198152 542581992 /nfs/dbraw/zinc/58/19/92/542581992.db2.gz HHZXPJMIUWROHD-MFKMUULPSA-N -2 3 359.375 1.997 20 0 FDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000548201741 542583946 /nfs/dbraw/zinc/58/39/46/542583946.db2.gz 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O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1cccnc1 ZINC000548264909 542605311 /nfs/dbraw/zinc/60/53/11/542605311.db2.gz RJXUUDPPIKALBC-SNVBAGLBSA-N -2 3 374.340 1.721 20 0 FDADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)C[C@H]2CCOC2)n1 ZINC000548529781 542691947 /nfs/dbraw/zinc/69/19/47/542691947.db2.gz MUYXLSDMWMLZCM-NSHDSACASA-N -2 3 351.384 1.349 20 0 FDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548551956 542700234 /nfs/dbraw/zinc/70/02/34/542700234.db2.gz MGVHPNWUFPQIFE-CYBMUJFWSA-N -2 3 362.791 1.554 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000548762117 542773303 /nfs/dbraw/zinc/77/33/03/542773303.db2.gz VYOOCRWZXQKNLP-UHFFFAOYSA-N -2 3 359.404 1.708 20 0 FDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-])C1CC1 ZINC000548990724 542819038 /nfs/dbraw/zinc/81/90/38/542819038.db2.gz RJVRLQUXGIUCFX-CPCISQLKSA-N -2 3 363.233 1.622 20 0 FDADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548992630 542819721 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FDADHL Cc1cc(C(=O)NCc2cccc(CN(C)C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000173815678 258312024 /nfs/dbraw/zinc/31/20/24/258312024.db2.gz WOXNZTAOMFDHOL-UHFFFAOYSA-N -2 3 367.409 1.324 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000184914987 258384546 /nfs/dbraw/zinc/38/45/46/258384546.db2.gz AMBKHRUWYMAMOM-NEPJUHHUSA-N -2 3 358.435 1.923 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCOCC1 ZINC000554538070 543819936 /nfs/dbraw/zinc/81/99/36/543819936.db2.gz JJZBXNRLNPCSTB-UHFFFAOYSA-N -2 3 371.308 1.757 20 0 FDADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)s1 ZINC000554677909 543850506 /nfs/dbraw/zinc/85/05/06/543850506.db2.gz SAXVGCGDMVLSOP-LKFCYVNXSA-N -2 3 374.484 1.204 20 0 FDADHL C[C@]1(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)NC(=O)[N-]C1=O ZINC000558419823 544426309 /nfs/dbraw/zinc/42/63/09/544426309.db2.gz LQRZJCSIOQMXDY-GOSISDBHSA-N -2 3 353.334 1.268 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C3CC3)cnc2c1Cl ZINC000558686136 544504344 /nfs/dbraw/zinc/50/43/44/544504344.db2.gz QASASAKSTZHXNB-JVXZTZIISA-N -2 3 372.834 1.469 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C3CC3)cnc2c1Cl ZINC000558686137 544504610 /nfs/dbraw/zinc/50/46/10/544504610.db2.gz QASASAKSTZHXNB-KRTXAFLBSA-N -2 3 372.834 1.469 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2cccc3ccccc32)C(=O)[O-])c[nH]1 ZINC000560080860 544884656 /nfs/dbraw/zinc/88/46/56/544884656.db2.gz AHBSXBJCPYAIDX-HNNXBMFYSA-N -2 3 359.407 1.846 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000328937265 259067442 /nfs/dbraw/zinc/06/74/42/259067442.db2.gz JUPWGKVOVCXRNF-ZDUSSCGKSA-N -2 3 369.381 1.357 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000328937263 259067810 /nfs/dbraw/zinc/06/78/10/259067810.db2.gz JUPWGKVOVCXRNF-CYBMUJFWSA-N -2 3 369.381 1.357 20 0 FDADHL COC(C)(C)CS(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000331245352 259183044 /nfs/dbraw/zinc/18/30/44/259183044.db2.gz RPQDEFDUWPQMKB-UHFFFAOYSA-N -2 3 350.462 1.533 20 0 FDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000375589058 261378645 /nfs/dbraw/zinc/37/86/45/261378645.db2.gz ZOSZHUVNNSXNEL-PSVAKVPMSA-N -2 3 366.222 1.862 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cnnn2)c(C)c1 ZINC000028261527 519230089 /nfs/dbraw/zinc/23/00/89/519230089.db2.gz ZTNMSDIKZKTPQG-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000037385794 519630071 /nfs/dbraw/zinc/63/00/71/519630071.db2.gz YOQBVTHDNZOQQY-QMMMGPOBSA-N -3 3 356.183 1.590 20 0 FDADHL CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000042794216 521785819 /nfs/dbraw/zinc/78/58/19/521785819.db2.gz RSHACHNXQMLEKT-UHFFFAOYSA-N -2 3 362.407 1.816 20 0 FDADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000085327770 524345662 /nfs/dbraw/zinc/34/56/62/524345662.db2.gz MMARVEWODFLJJA-MNOVXSKESA-N -2 3 363.233 1.766 20 0 FDADHL Cc1cc(=O)n2nc([N-]S(=O)(=O)c3cc(F)c(C)cc3F)[n-]c2n1 ZINC000122937980 524647400 /nfs/dbraw/zinc/64/74/00/524647400.db2.gz VYQLZQMIUCPEDP-UHFFFAOYSA-N -2 3 355.326 1.113 20 0 FDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000123854550 524845675 /nfs/dbraw/zinc/84/56/75/524845675.db2.gz FIHZMVPXMNKAFZ-QMMMGPOBSA-N -2 3 351.222 1.623 20 0 FDADHL CCOC(=O)c1c[n-]n(C2CCN(C(=O)c3ccccc3[O-])CC2)c1=N ZINC000115165781 524949560 /nfs/dbraw/zinc/94/95/60/524949560.db2.gz IKOLUYXRDGRGJG-UHFFFAOYSA-N -2 3 358.398 1.655 20 0 FDADHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000152775803 525002163 /nfs/dbraw/zinc/00/21/63/525002163.db2.gz XZTLZOCXBUICHQ-UHFFFAOYSA-N -2 3 360.355 1.884 20 0 FDADHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000152775803 525002176 /nfs/dbraw/zinc/00/21/76/525002176.db2.gz XZTLZOCXBUICHQ-UHFFFAOYSA-N -2 3 360.355 1.884 20 0 FDADHL CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)co1 ZINC000129836350 525697246 /nfs/dbraw/zinc/69/72/46/525697246.db2.gz QSVHOSSJLQKJPE-UHFFFAOYSA-N -2 3 351.344 1.160 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCc2cnn(C)c2)c1 ZINC000184993062 536194977 /nfs/dbraw/zinc/19/49/77/536194977.db2.gz JFGMTXYTJHWJPR-UHFFFAOYSA-N -2 3 355.391 1.477 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000262859716 536922876 /nfs/dbraw/zinc/92/28/76/536922876.db2.gz VFTHADSEYKJOEU-NSHDSACASA-N -2 3 374.484 1.661 20 0 FDADHL C[C@@]1(c2cccc(C(=O)NC3(CC(=O)[O-])CCCC3)c2)NC(=O)[N-]C1=O ZINC000262927307 536939797 /nfs/dbraw/zinc/93/97/97/536939797.db2.gz ONOHOXZYIASRDM-KRWDZBQOSA-N -2 3 359.382 1.259 20 0 FDADHL O=C([O-])C1(CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CCCCC1 ZINC000262983910 536953992 /nfs/dbraw/zinc/95/39/92/536953992.db2.gz RMNISGVZRTYYLZ-UHFFFAOYSA-N -2 3 373.409 1.231 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)o1 ZINC000263036388 536964610 /nfs/dbraw/zinc/96/46/10/536964610.db2.gz COBNTTNGVSYBSM-VIFPVBQESA-N -2 3 366.395 1.937 20 0 FDADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000263323335 537017457 /nfs/dbraw/zinc/01/74/57/537017457.db2.gz KAMNYVNRHAYOJD-VXGBXAGGSA-N -2 3 372.418 1.206 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290941936 537483447 /nfs/dbraw/zinc/48/34/47/537483447.db2.gz KVOXJKASILUFFI-YFKPBYRVSA-N -2 3 361.319 1.062 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000232108093 537587571 /nfs/dbraw/zinc/58/75/71/537587571.db2.gz CMPZCMNHYZBIOG-MRVPVSSYSA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000315695766 537609921 /nfs/dbraw/zinc/60/99/21/537609921.db2.gz DGFZFGCNNWTIQQ-UHFFFAOYSA-N -2 3 365.198 1.262 20 0 FDADHL C[C@H](CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237638518 537635268 /nfs/dbraw/zinc/63/52/68/537635268.db2.gz QDIJXBPZUIKISN-SSDOTTSWSA-N -2 3 353.172 1.884 20 0 FDADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)o1 ZINC000291873220 537686090 /nfs/dbraw/zinc/68/60/90/537686090.db2.gz HQTPOXOSPKRRBX-UHFFFAOYSA-N -2 3 354.384 1.731 20 0 FDADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])cc1C ZINC000391790635 537772176 /nfs/dbraw/zinc/77/21/76/537772176.db2.gz JIVRXMJCVLJXQV-VXGBXAGGSA-N -2 3 356.400 1.991 20 0 FDADHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433529809 538251955 /nfs/dbraw/zinc/25/19/55/538251955.db2.gz VLWXDJQSSKUASE-UHFFFAOYSA-N -3 3 364.379 1.527 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cccc2c1OCCO2 ZINC000486758779 538560049 /nfs/dbraw/zinc/56/00/49/538560049.db2.gz LRTILHWCLIBFMB-UHFFFAOYSA-N -2 3 359.367 1.439 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc2c1OCCO2 ZINC000486758779 538560058 /nfs/dbraw/zinc/56/00/58/538560058.db2.gz LRTILHWCLIBFMB-UHFFFAOYSA-N -2 3 359.367 1.439 20 0 FDADHL O=C(NCc1ccnc(NC(=O)c2cncc([O-])c2)c1)c1cncc([O-])c1 ZINC000560622004 545558053 /nfs/dbraw/zinc/55/80/53/545558053.db2.gz JYPUWQWJMGUFSV-UHFFFAOYSA-N -2 3 365.349 1.465 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)[C@H]1CCOC1 ZINC000562939709 546320743 /nfs/dbraw/zinc/32/07/43/546320743.db2.gz XAYJBSWKHXNEHG-CPCISQLKSA-N -2 3 369.317 1.195 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)nc1C ZINC000563080238 546391879 /nfs/dbraw/zinc/39/18/79/546391879.db2.gz KJWOTVKNVHSAIC-OAHLLOKOSA-N -2 3 351.428 1.932 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)c(F)cc1F ZINC000563355263 546499349 /nfs/dbraw/zinc/49/93/49/546499349.db2.gz IXATXDFQJRHIDJ-UHFFFAOYSA-N -2 3 374.369 1.322 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)CCOCC2CC2)c(C(=O)[O-])c1 ZINC000564444018 546915351 /nfs/dbraw/zinc/91/53/51/546915351.db2.gz PMWBWNIUESUNQI-UHFFFAOYSA-N -2 3 356.400 1.512 20 0 FDADHL COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000564920907 547104426 /nfs/dbraw/zinc/10/44/26/547104426.db2.gz QMXXZBUPBBYFDL-JTQLQIEISA-N -2 3 369.395 1.905 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000566240424 547677653 /nfs/dbraw/zinc/67/76/53/547677653.db2.gz VUKRTIRDLGOAOL-GXSJLCMTSA-N -2 3 359.375 1.534 20 0 FDADHL C[C@@H]1C[C@@H](S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)CCO1 ZINC000566312022 547706729 /nfs/dbraw/zinc/70/67/29/547706729.db2.gz MHJNPUJHVNMUKI-KOLCDFICSA-N -2 3 366.395 1.948 20 0 FDADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)(C(=O)[O-])C1(C)C ZINC000567564053 548161346 /nfs/dbraw/zinc/16/13/46/548161346.db2.gz FCKDEVWXXCFNCW-MEDUHNTESA-N -2 3 373.475 1.480 20 0 FDADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000567804720 548265872 /nfs/dbraw/zinc/26/58/72/548265872.db2.gz WTHGBBMASCORPL-UHFFFAOYSA-N -2 3 351.380 1.997 20 0 FDADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-] ZINC000567885228 548307434 /nfs/dbraw/zinc/30/74/34/548307434.db2.gz CEWKQNRJXOXYJF-LBPRGKRZSA-N -2 3 361.391 1.780 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000567885444 548308391 /nfs/dbraw/zinc/30/83/91/548308391.db2.gz RIVCJSFYDNLZMR-UONOGXRCSA-N -2 3 373.402 1.924 20 0 FDADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)CCC(F)(F)F ZINC000569489847 548937734 /nfs/dbraw/zinc/93/77/34/548937734.db2.gz OUFADBSYEJCXSP-MNOVXSKESA-N -2 3 361.382 1.643 20 0 FDADHL O=C([O-])c1cccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)c1 ZINC000569654757 548996574 /nfs/dbraw/zinc/99/65/74/548996574.db2.gz ANAOCPMULVZGNH-UHFFFAOYSA-N -2 3 366.333 1.783 20 0 FDADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C12CCCC2 ZINC000570393423 549262936 /nfs/dbraw/zinc/26/29/36/549262936.db2.gz HJLKSPAKNCWWQM-ZJUUUORDSA-N -2 3 360.457 1.857 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c(F)cc1Br ZINC000570497564 549300909 /nfs/dbraw/zinc/30/09/09/549300909.db2.gz LQKINYWYGGXVHO-WKEGUHRASA-N -2 3 370.196 1.009 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000571203913 549564313 /nfs/dbraw/zinc/56/43/13/549564313.db2.gz BGKNCLZHIIQGFW-ZDUSSCGKSA-N -2 3 369.418 1.825 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000571671253 549729997 /nfs/dbraw/zinc/72/99/97/549729997.db2.gz YAXNIPYAUZSDAK-NOZJJQNGSA-N -2 3 363.819 1.507 20 0 FDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000572282388 549882513 /nfs/dbraw/zinc/88/25/13/549882513.db2.gz QBULRXDHYBZPPD-SSDOTTSWSA-N -2 3 357.762 1.983 20 0 FDADHL O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000572330936 549891572 /nfs/dbraw/zinc/89/15/72/549891572.db2.gz OPFSCWCWPVBIMJ-UHFFFAOYSA-N -2 3 351.310 1.187 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000572816674 549999959 /nfs/dbraw/zinc/99/99/59/549999959.db2.gz BLLUEGWQLDKGCP-VXGBXAGGSA-N -2 3 353.799 1.513 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1sccc1C ZINC000573113297 550067473 /nfs/dbraw/zinc/06/74/73/550067473.db2.gz UVDAGYYYXDYEIZ-UHFFFAOYSA-N -2 3 358.397 1.759 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F 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-2 3 372.377 1.923 20 0 FDADHL CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C(=O)[O-] ZINC000737322920 599848822 /nfs/dbraw/zinc/84/88/22/599848822.db2.gz RZCKFAMDEAWLCA-UHFFFAOYSA-N -2 3 354.837 1.001 20 0 FDADHL Cc1nc(C)c(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(=O)[n-]1 ZINC000738844141 599945125 /nfs/dbraw/zinc/94/51/25/599945125.db2.gz KCMOBCPEUWQMBM-CYBMUJFWSA-N -2 3 361.373 1.540 20 0 FDADHL C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000736687877 600029209 /nfs/dbraw/zinc/02/92/09/600029209.db2.gz FJMHRAYQULXUNE-QMMMGPOBSA-N -2 3 356.331 1.585 20 0 FDADHL Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)nn1 ZINC000738612741 600236370 /nfs/dbraw/zinc/23/63/70/600236370.db2.gz BUPRDGXTYGLTJQ-NSHDSACASA-N -2 3 366.399 1.024 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[S@](=O)Cc2ccccc2)o1 ZINC000740176460 600263136 /nfs/dbraw/zinc/26/31/36/600263136.db2.gz FMEBJXKQYFPADA-QFIPXVFZSA-N -2 3 357.409 1.205 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)[n-]1 ZINC000738846650 600580429 /nfs/dbraw/zinc/58/04/29/600580429.db2.gz GNJIZHDBARDIPT-CQSZACIVSA-N -2 3 373.409 1.497 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000327331430 600649726 /nfs/dbraw/zinc/64/97/26/600649726.db2.gz GRHZCLPULYKAHX-MRXNPFEDSA-N -2 3 363.391 1.506 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000327365604 600775222 /nfs/dbraw/zinc/77/52/22/600775222.db2.gz QAPZQNKEPSZYBR-LBPRGKRZSA-N -2 3 368.342 1.881 20 0 FDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000828693672 601233634 /nfs/dbraw/zinc/23/36/34/601233634.db2.gz YZRORISWCZJFHQ-ZDUSSCGKSA-N -2 3 351.327 1.283 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)o1 ZINC000262403710 601278722 /nfs/dbraw/zinc/27/87/22/601278722.db2.gz OLYOKEMIRTXPTE-RTXFEEFZSA-N -2 3 370.427 1.354 20 0 FDADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]CC(=O)OC2CCCCC2)c1 ZINC000833110772 601395056 /nfs/dbraw/zinc/39/50/56/601395056.db2.gz ZXSQXGOIIUEEOZ-UHFFFAOYSA-N -2 3 355.412 1.680 20 0 FDADHL CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827033889 601403312 /nfs/dbraw/zinc/40/33/12/601403312.db2.gz VEVZEHXQWQLQSJ-UHFFFAOYSA-N -2 3 369.399 1.279 20 0 FDADHL O=C([O-])C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000833200203 601538342 /nfs/dbraw/zinc/53/83/42/601538342.db2.gz KOSDFDCDMQCESO-CYBMUJFWSA-N -2 3 370.402 1.250 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CC1 ZINC000831138643 601612494 /nfs/dbraw/zinc/61/24/94/601612494.db2.gz CQUBQBVOKDPCEE-VIFPVBQESA-N -2 3 363.338 1.283 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)ccc1F ZINC000831029233 601674461 /nfs/dbraw/zinc/67/44/61/601674461.db2.gz LVKKMIYCERQABA-UHFFFAOYSA-N -2 3 372.418 1.641 20 0 FDADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000325123679 601831261 /nfs/dbraw/zinc/83/12/61/601831261.db2.gz ZJAJBWCYDURRHU-UHFFFAOYSA-N -2 3 352.343 1.353 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])C2CCCC2)ccc1F ZINC000831029130 601873029 /nfs/dbraw/zinc/87/30/29/601873029.db2.gz IHWFTVPZGDCRMK-UHFFFAOYSA-N -2 3 358.391 1.203 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN(C(=O)[O-])C1 ZINC000740244293 601988317 /nfs/dbraw/zinc/98/83/17/601988317.db2.gz AXDGMZXBVHIJMM-SECBINFHSA-N -2 3 350.828 1.050 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cocn2)c(Br)o1 ZINC000397726327 602153430 /nfs/dbraw/zinc/15/34/30/602153430.db2.gz NJBHUXQEXAFSIZ-UHFFFAOYSA-N -2 3 351.134 1.207 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C(=O)c3ccccc3)C2)o1 ZINC000833324357 602168441 /nfs/dbraw/zinc/16/84/41/602168441.db2.gz GIAZKVPPWCRRLT-LBPRGKRZSA-N -2 3 364.379 1.171 20 0 FDADHL O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000740535633 602470007 /nfs/dbraw/zinc/47/00/07/602470007.db2.gz NUPUNCNDEVSDKL-CQSZACIVSA-N -2 3 352.354 1.684 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCNC(=O)[O-])cc1Cl ZINC000738557365 602548327 /nfs/dbraw/zinc/54/83/27/602548327.db2.gz CEZJHEVSDXRHFN-UHFFFAOYSA-N -2 3 367.786 1.374 20 0 FDADHL CCN(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000739434807 602552269 /nfs/dbraw/zinc/55/22/69/602552269.db2.gz VIWOYOAZPQKFFD-UHFFFAOYSA-N -2 3 369.212 1.866 20 0 FDADHL CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCN1CCOC ZINC000739277259 602867725 /nfs/dbraw/zinc/86/77/25/602867725.db2.gz DMIXKYMAYYTKQJ-CYBMUJFWSA-N -2 3 351.403 1.665 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])c2)n1 ZINC000739536508 603070640 /nfs/dbraw/zinc/07/06/40/603070640.db2.gz UCZKIXBPYQRLRC-ZIAGYGMSSA-N -2 3 372.381 1.463 20 0 FDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C(=O)[O-])C2)s1 ZINC000829899207 603117738 /nfs/dbraw/zinc/11/77/38/603117738.db2.gz AQZCRGIRADNQMX-ZETCQYMHSA-N -2 3 369.262 1.850 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c(C)o1 ZINC000828579477 603544121 /nfs/dbraw/zinc/54/41/21/603544121.db2.gz MUYAQIWGDCAYEH-JQWIXIFHSA-N -2 3 373.431 1.052 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)o1 ZINC000828578844 604260945 /nfs/dbraw/zinc/26/09/45/604260945.db2.gz FECUDBRUIOWFLW-KOLCDFICSA-N -2 3 373.431 1.004 20 0 FDADHL O=C([O-])NC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000832151566 604550420 /nfs/dbraw/zinc/55/04/20/604550420.db2.gz NWIRUVVJUFXBGI-UHFFFAOYSA-N -2 3 361.398 1.257 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1 ZINC000486541812 604633948 /nfs/dbraw/zinc/63/39/48/604633948.db2.gz RADWFUOYBUDETO-UHFFFAOYSA-N -2 3 374.378 1.532 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCCC[C@H]2CNC(=O)[O-])c(C)o1 ZINC000828579610 604659628 /nfs/dbraw/zinc/65/96/28/604659628.db2.gz OIEYFZPKSZGAQQ-CMPLNLGQSA-N -2 3 374.415 1.479 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC000833482030 604882449 /nfs/dbraw/zinc/88/24/49/604882449.db2.gz AFVWOBZATQRVPD-MRVPVSSYSA-N -3 3 351.327 1.441 20 0 FDADHL COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000833731489 605022495 /nfs/dbraw/zinc/02/24/95/605022495.db2.gz FSIVPEHRQHMEQO-JTQLQIEISA-N -2 3 367.427 1.725 20 0 FDADHL C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000397812626 605038291 /nfs/dbraw/zinc/03/82/91/605038291.db2.gz DJUDMIWOPDIBDP-RNFRBKRXSA-N -2 3 370.221 1.426 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833440461 605201916 /nfs/dbraw/zinc/20/19/16/605201916.db2.gz YYTGJQCNDFXZJJ-NSHDSACASA-N -2 3 374.415 1.656 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1ccccc1 ZINC000833461266 605202119 /nfs/dbraw/zinc/20/21/19/605202119.db2.gz ZDFGJULCJMHRBI-UHFFFAOYSA-N -2 3 352.368 1.673 20 0 FDADHL COc1cc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885084 605915396 /nfs/dbraw/zinc/91/53/96/605915396.db2.gz DCAAEZMDDTWOIF-MNOVXSKESA-N -2 3 352.387 1.918 20 0 FDADHL O=C([O-])NCc1nc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cs1 ZINC000834249548 605959158 /nfs/dbraw/zinc/95/91/58/605959158.db2.gz SLYRADSQGPEWEZ-UHFFFAOYSA-N -2 3 352.763 1.859 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819864977 606176998 /nfs/dbraw/zinc/17/69/98/606176998.db2.gz BAVHKDJSFMTTAM-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819864977 606176999 /nfs/dbraw/zinc/17/69/99/606176999.db2.gz BAVHKDJSFMTTAM-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821427601 606337468 /nfs/dbraw/zinc/33/74/68/606337468.db2.gz WIPRGGDEKILUIW-UHFFFAOYSA-N -2 3 361.383 1.772 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285050 606460279 /nfs/dbraw/zinc/46/02/79/606460279.db2.gz MLCFLFKSKNKGGD-UHFFFAOYSA-N -2 3 371.350 1.325 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285050 606460281 /nfs/dbraw/zinc/46/02/81/606460281.db2.gz MLCFLFKSKNKGGD-UHFFFAOYSA-N -2 3 371.350 1.325 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284053 606467684 /nfs/dbraw/zinc/46/76/84/606467684.db2.gz AUIRNLWMGPJUTG-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284053 606467685 /nfs/dbraw/zinc/46/76/85/606467685.db2.gz AUIRNLWMGPJUTG-UHFFFAOYSA-N -2 3 370.803 1.095 20 0 FDADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820211118 606468158 /nfs/dbraw/zinc/46/81/58/606468158.db2.gz DXEPKWRBTPTCFR-UHFFFAOYSA-N -2 3 351.417 1.642 20 0 FDADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820211118 606468160 /nfs/dbraw/zinc/46/81/60/606468160.db2.gz DXEPKWRBTPTCFR-UHFFFAOYSA-N -2 3 351.417 1.642 20 0 FDADHL Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822467495 606495865 /nfs/dbraw/zinc/49/58/65/606495865.db2.gz NWPIVEPOWZDWFP-UHFFFAOYSA-N -2 3 359.396 1.392 20 0 FDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000819971897 606606079 /nfs/dbraw/zinc/60/60/79/606606079.db2.gz WLRPIUMCWGGJQW-UHFFFAOYSA-N -2 3 365.394 1.758 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820674557 606626354 /nfs/dbraw/zinc/62/63/54/606626354.db2.gz FGVPOTPSKRYELZ-KWJWQAOWSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820674557 606626356 /nfs/dbraw/zinc/62/63/56/606626356.db2.gz FGVPOTPSKRYELZ-KWJWQAOWSA-N -2 3 361.427 1.559 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)oc1C ZINC000822454420 606642722 /nfs/dbraw/zinc/64/27/22/606642722.db2.gz WVLDUUICWVXCLH-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)oc1C ZINC000822454420 606642723 /nfs/dbraw/zinc/64/27/23/606642723.db2.gz WVLDUUICWVXCLH-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL COc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000821877407 606820967 /nfs/dbraw/zinc/82/09/67/606820967.db2.gz IVWAUSPCGUNRDX-UHFFFAOYSA-N -2 3 374.426 1.742 20 0 FDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822021386 606870628 /nfs/dbraw/zinc/87/06/28/606870628.db2.gz ZHJGYZOEPQRCLI-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822021386 606870629 /nfs/dbraw/zinc/87/06/29/606870629.db2.gz ZHJGYZOEPQRCLI-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL O=S(=O)([N-]Cc1ccc(F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578192 606883815 /nfs/dbraw/zinc/88/38/15/606883815.db2.gz JRLIQQQYSAATQM-UHFFFAOYSA-N -2 3 369.328 1.763 20 0 FDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000821309956 607032556 /nfs/dbraw/zinc/03/25/56/607032556.db2.gz VFWVADZDKSWFDT-UHFFFAOYSA-N -2 3 363.378 1.633 20 0 FDADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820684041 607094859 /nfs/dbraw/zinc/09/48/59/607094859.db2.gz LISBTXKIMWGSDL-NEPJUHHUSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820684041 607094861 /nfs/dbraw/zinc/09/48/61/607094861.db2.gz LISBTXKIMWGSDL-NEPJUHHUSA-N -2 3 363.443 1.639 20 0 FDADHL O=C([O-])c1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823037176 607109947 /nfs/dbraw/zinc/10/99/47/607109947.db2.gz SAAKPUHQZWEGNJ-UHFFFAOYSA-N -2 3 353.338 1.260 20 0 FDADHL Cc1nc(SCC(=O)NC[C@@H](C)C(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822452815 607110781 /nfs/dbraw/zinc/11/07/81/607110781.db2.gz AIRGSLKOAAZYIV-SSDOTTSWSA-N -2 3 364.431 1.116 20 0 FDADHL Cc1nc(SCC(=O)NC[C@@H](C)C(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822452815 607110783 /nfs/dbraw/zinc/11/07/83/607110783.db2.gz AIRGSLKOAAZYIV-SSDOTTSWSA-N -2 3 364.431 1.116 20 0 FDADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822604478 607118131 /nfs/dbraw/zinc/11/81/31/607118131.db2.gz GBGKNXNTHAGWAD-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822604478 607118133 /nfs/dbraw/zinc/11/81/33/607118133.db2.gz GBGKNXNTHAGWAD-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nc1 ZINC000824025036 608016883 /nfs/dbraw/zinc/01/68/83/608016883.db2.gz SZFZYHAJZKAUFM-UHFFFAOYSA-N -2 3 358.383 1.574 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825095108 608075573 /nfs/dbraw/zinc/07/55/73/608075573.db2.gz DDGNISCBVSVIOC-NSHDSACASA-N -2 3 365.459 1.885 20 0 FDADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825095108 608075574 /nfs/dbraw/zinc/07/55/74/608075574.db2.gz DDGNISCBVSVIOC-NSHDSACASA-N -2 3 365.459 1.885 20 0 FDADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824884818 608154458 /nfs/dbraw/zinc/15/44/58/608154458.db2.gz PPLAWWRADFOXTC-RKDXNWHRSA-N -2 3 373.385 1.238 20 0 FDADHL COc1ccc(-c2nc(SC[C@H](C)CO)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181883 608263307 /nfs/dbraw/zinc/26/33/07/608263307.db2.gz QYNXSLOKVOHSPO-SECBINFHSA-N -2 3 374.426 1.758 20 0 FDADHL O=S(=O)([N-]Cc1ccncc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492037 608416365 /nfs/dbraw/zinc/41/63/65/608416365.db2.gz PLFFUQBVEAZBHA-UHFFFAOYSA-N -2 3 352.326 1.018 20 0 FDADHL O=S(=O)([N-]c1nncn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493426 608490777 /nfs/dbraw/zinc/49/07/77/608490777.db2.gz JXLIDZHRXSRAOJ-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1nncn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493426 608490779 /nfs/dbraw/zinc/49/07/79/608490779.db2.gz JXLIDZHRXSRAOJ-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826280246 608871655 /nfs/dbraw/zinc/87/16/55/608871655.db2.gz UEYYBQIDYLOMNY-UHFFFAOYSA-N -2 3 369.357 1.945 20 0 FDADHL COc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1O ZINC000826217312 609423126 /nfs/dbraw/zinc/42/31/26/609423126.db2.gz HNPNKYQAXYEWFL-UHFFFAOYSA-N -2 3 361.383 1.690 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000274973448 674599416 /nfs/dbraw/zinc/59/94/16/674599416.db2.gz KTDBHBVJLKDRCY-UHFFFAOYSA-N -2 3 353.318 1.264 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000275756628 674634758 /nfs/dbraw/zinc/63/47/58/674634758.db2.gz XGOSALDOGDDNKP-UHFFFAOYSA-N -2 3 359.454 1.745 20 0 FDADHL O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[N-]S(=O)(=O)c1ccco1 ZINC000277280459 674905377 /nfs/dbraw/zinc/90/53/77/674905377.db2.gz PSHBLGLYRMOAPM-GFCCVEGCSA-N -2 3 367.379 1.415 20 0 FDADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)N[N-]C(=O)c1ccccc1F ZINC000068176133 671362202 /nfs/dbraw/zinc/36/22/02/671362202.db2.gz OUHDNNBZBWVJDE-UHFFFAOYSA-N -2 3 365.386 1.662 20 0 FDADHL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000288130806 675964127 /nfs/dbraw/zinc/96/41/27/675964127.db2.gz ATRXKZYDOQNFSV-UHFFFAOYSA-N -2 3 358.445 1.209 20 0 FDADHL Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000184935704 672252238 /nfs/dbraw/zinc/25/22/38/672252238.db2.gz ADTIXRWZGVQCHG-UHFFFAOYSA-N -2 3 373.381 1.534 20 0 FDADHL COCCS(=O)(=O)[N-]c1cc(OC)c(OC(F)F)cc1C(=O)[O-] ZINC000265627135 672955645 /nfs/dbraw/zinc/95/56/45/672955645.db2.gz LPIPOTQKJAJZGN-UHFFFAOYSA-N -2 3 355.315 1.383 20 0 FDADHL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(Br)ccc2[O-])C1=O ZINC000281193297 675499309 /nfs/dbraw/zinc/49/93/09/675499309.db2.gz KJXXKDAFFVSRQI-CYBMUJFWSA-N -2 3 356.176 1.520 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)oc1C ZINC000281797573 675560707 /nfs/dbraw/zinc/56/07/07/675560707.db2.gz IDOUDRSHHSHEES-UHFFFAOYSA-N -2 3 357.340 1.453 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000284897358 675761072 /nfs/dbraw/zinc/76/10/72/675761072.db2.gz ANSCITXNALPWEK-ONGXEEELSA-N -2 3 357.359 1.310 20 0 FDADHL Cc1nn2c([n-]nc2SCc2noc(-c3ccccc3[O-])n2)nc1=O ZINC000364801767 677051930 /nfs/dbraw/zinc/05/19/30/677051930.db2.gz PAXQDIHMIISILG-UHFFFAOYSA-N -2 3 357.355 1.169 20 0 FDADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371455454 677703093 /nfs/dbraw/zinc/70/30/93/677703093.db2.gz KZVOHWFKPVOYHP-CYBMUJFWSA-N -2 3 359.773 1.926 20 0 FDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)c1 ZINC000425959088 680942464 /nfs/dbraw/zinc/94/24/64/680942464.db2.gz QNEYFEXRKBAWRS-UHFFFAOYSA-N -2 3 356.306 1.563 20 0 FDADHL CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000436198334 681676097 /nfs/dbraw/zinc/67/60/97/681676097.db2.gz NBVNLGAESKJSPH-UHFFFAOYSA-N -2 3 374.415 1.582 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000436663122 681714411 /nfs/dbraw/zinc/71/44/11/681714411.db2.gz IJXTYYPJVHSYNY-UHFFFAOYSA-N -2 3 365.363 1.751 20 0 FDADHL O=C(NCCN1c2ccccc2[N-]S1(=O)=O)c1cc(F)ccc1[O-] ZINC000436984285 681750691 /nfs/dbraw/zinc/75/06/91/681750691.db2.gz METFTPNCYJBSBE-UHFFFAOYSA-N -2 3 351.359 1.438 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)F ZINC000451085547 682813192 /nfs/dbraw/zinc/81/31/92/682813192.db2.gz SLVQSIOJNVLXLH-SECBINFHSA-N -2 3 360.379 1.519 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cn1 ZINC000470654820 685054270 /nfs/dbraw/zinc/05/42/70/685054270.db2.gz YFRNIDFSBGWPGA-UHFFFAOYSA-N -2 3 352.368 1.773 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)c1 ZINC000471954632 685166717 /nfs/dbraw/zinc/16/67/17/685166717.db2.gz NOHSNWKMDVVURJ-UHFFFAOYSA-N -2 3 362.367 1.488 20 0 FDADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000504260188 688423443 /nfs/dbraw/zinc/42/34/43/688423443.db2.gz LVLYFLNQEGEYSZ-UHFFFAOYSA-N -3 3 368.342 1.147 20 0 FDADHL CCc1oncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000509392425 689263490 /nfs/dbraw/zinc/26/34/90/689263490.db2.gz QJAZVVYRVODPEY-UHFFFAOYSA-N -2 3 363.392 1.548 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(F)ccc3Cl)nc2n1 ZINC000517182661 690041578 /nfs/dbraw/zinc/04/15/78/690041578.db2.gz ZXAKSJLJGXYBPF-UHFFFAOYSA-N -2 3 371.781 1.573 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c(F)c1 ZINC000521939755 694452031 /nfs/dbraw/zinc/45/20/31/694452031.db2.gz FXPJHLPTRBJOOY-VIFPVBQESA-N -2 3 361.391 1.780 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c(C)o1 ZINC000529700376 694792225 /nfs/dbraw/zinc/79/22/25/694792225.db2.gz ZBYANFOVMMMVDJ-UHFFFAOYSA-N -2 3 356.429 1.073 20 0 FDADHL COC1(CS(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])CCOCC1 ZINC000650176973 771136822 /nfs/dbraw/zinc/13/68/22/771136822.db2.gz CRKHZRCKZOZTNM-UHFFFAOYSA-N -2 3 368.411 1.803 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cn1 ZINC000656179865 774054567 /nfs/dbraw/zinc/05/45/67/774054567.db2.gz BUCJKLYUNPNUDR-GZMMTYOYSA-N -2 3 368.333 1.558 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000647642853 788399474 /nfs/dbraw/zinc/39/94/74/788399474.db2.gz QIFBDWPCTKPNTF-SFYZADRCSA-N -2 3 371.806 1.052 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000647642853 788399486 /nfs/dbraw/zinc/39/94/86/788399486.db2.gz QIFBDWPCTKPNTF-SFYZADRCSA-N -2 3 371.806 1.052 20 0 FDADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000694922460 788851351 /nfs/dbraw/zinc/85/13/51/788851351.db2.gz ARIFRERSGXZHGT-SSDOTTSWSA-N -2 3 352.231 1.962 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c[nH]1 ZINC000663294099 806344838 /nfs/dbraw/zinc/34/48/38/806344838.db2.gz OESSBKZUDQOKFK-MRVPVSSYSA-N -2 3 357.354 1.855 20 0 FDADHL CCc1nc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cn1CC1CC1 ZINC000663300487 806381818 /nfs/dbraw/zinc/38/18/18/806381818.db2.gz ZOSCSYYXDVQKBM-UHFFFAOYSA-N -2 3 373.442 1.836 20 0 FDADHL CCc1nc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cn1CC1CC1 ZINC000663300487 806381826 /nfs/dbraw/zinc/38/18/26/806381826.db2.gz ZOSCSYYXDVQKBM-UHFFFAOYSA-N -2 3 373.442 1.836 20 0 FDADHL Cc1cnc(C(=O)N(C)CCCN(C)C(=O)c2ncc(C)cc2[O-])c([O-])c1 ZINC000427138359 818726172 /nfs/dbraw/zinc/72/61/72/818726172.db2.gz XQLIOEFTDAZEGP-UHFFFAOYSA-N -2 3 372.425 1.739 20 0 FDADHL CC(C)C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ncccc1[O-] ZINC000427670530 820753563 /nfs/dbraw/zinc/75/35/63/820753563.db2.gz FETDUMWANQFIBT-ZDUSSCGKSA-N -2 3 372.425 1.805 20 0 FDADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)CC(=O)[O-] ZINC000666157581 832346817 /nfs/dbraw/zinc/34/68/17/832346817.db2.gz HMZFCOJWFUAMDT-QMMMGPOBSA-N -2 3 374.390 1.676 20 0 FDADHL CO[C@H](CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F)C(F)(F)F ZINC000905205684 851749059 /nfs/dbraw/zinc/74/90/59/851749059.db2.gz JUSWPTXFUYMKMN-SECBINFHSA-N -2 3 359.297 1.770 20 0 FDADHL C[C@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCO1 ZINC000906009197 852509565 /nfs/dbraw/zinc/50/95/65/852509565.db2.gz KHMPWCPBUFALKB-ISVAXAHUSA-N -2 3 351.783 1.780 20 0 FDADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCO1 ZINC000906010384 852536745 /nfs/dbraw/zinc/53/67/45/852536745.db2.gz NZMTXSNITZDUQY-FUXBKTLASA-N -2 3 353.318 1.405 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(F)cc1F ZINC000761258369 864654008 /nfs/dbraw/zinc/65/40/08/864654008.db2.gz DBXPLYCYWSKQOT-SNVBAGLBSA-N -2 3 369.345 1.945 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c(C)o1 ZINC000761671469 873941093 /nfs/dbraw/zinc/94/10/93/873941093.db2.gz TXFMYSWWMPEOOV-YVMONPNESA-N -2 3 364.379 1.846 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000746690594 932325136 /nfs/dbraw/zinc/32/51/36/932325136.db2.gz FPDGITSQGZLSSK-NSHDSACASA-N -2 3 374.434 1.838 20 0 FDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)nc2sccn21)C(F)F ZINC000809226191 940787302 /nfs/dbraw/zinc/78/73/02/940787302.db2.gz PTZRSUZAHZCJGN-YFKPBYRVSA-N -2 3 373.790 1.684 20 0 FDADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000747617039 941026170 /nfs/dbraw/zinc/02/61/70/941026170.db2.gz LXCOJRVHUQYYEI-UHFFFAOYSA-N -2 3 364.214 1.801 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c(F)cc1F ZINC001195248067 970792205 /nfs/dbraw/zinc/79/22/05/970792205.db2.gz AYXQBZWIDXTDQT-LLVKDONJSA-N -2 3 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/nfs/dbraw/zinc/87/70/11/606877011.db2.gz SOPWLCMJPTXYPP-UHFFFAOYSA-N -2 3 370.316 1.158 20 0 FDADHL Cc1occc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822554100 606887050 /nfs/dbraw/zinc/88/70/50/606887050.db2.gz UIFFCZQJJNORCI-UHFFFAOYSA-N -2 3 355.326 1.525 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000820541885 607102593 /nfs/dbraw/zinc/10/25/93/607102593.db2.gz JNUBHTQKRFBRGA-NHYWBVRUSA-N -2 3 367.365 1.576 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000820541885 607102596 /nfs/dbraw/zinc/10/25/96/607102596.db2.gz JNUBHTQKRFBRGA-NHYWBVRUSA-N -2 3 367.365 1.576 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821492527 607251122 /nfs/dbraw/zinc/25/11/22/607251122.db2.gz PMEOWWDSRSEWCP-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821492527 607251123 /nfs/dbraw/zinc/25/11/23/607251123.db2.gz PMEOWWDSRSEWCP-UHFFFAOYSA-N -2 3 371.422 1.689 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000825631907 607846258 /nfs/dbraw/zinc/84/62/58/607846258.db2.gz INDHAVDGARXLSX-UHFFFAOYSA-N -2 3 366.428 1.831 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493058 608054502 /nfs/dbraw/zinc/05/45/02/608054502.db2.gz QRHJKJPMLQKLNC-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493058 608054503 /nfs/dbraw/zinc/05/45/03/608054503.db2.gz QRHJKJPMLQKLNC-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000826322398 608107012 /nfs/dbraw/zinc/10/70/12/608107012.db2.gz KSJIEMDXCIAWHX-UHFFFAOYSA-N -2 3 356.371 1.247 20 0 FDADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826319303 608293379 /nfs/dbraw/zinc/29/33/79/608293379.db2.gz XHVLILUANZACBX-UHFFFAOYSA-N -2 3 365.806 1.607 20 0 FDADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826319303 608293381 /nfs/dbraw/zinc/29/33/81/608293381.db2.gz XHVLILUANZACBX-UHFFFAOYSA-N -2 3 365.806 1.607 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)ccc1OC(C)C ZINC000826272342 608307063 /nfs/dbraw/zinc/30/70/63/608307063.db2.gz FGBOYDHQJWURNA-UHFFFAOYSA-N -2 3 363.403 1.486 20 0 FDADHL O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cc(=O)[nH][n-]1 ZINC000826479237 608361011 /nfs/dbraw/zinc/36/10/11/608361011.db2.gz UHEBUALBLUCLBK-UHFFFAOYSA-N -2 3 361.365 1.026 20 0 FDADHL O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cc(=O)[nH][n-]1 ZINC000826479237 608361013 /nfs/dbraw/zinc/36/10/13/608361013.db2.gz UHEBUALBLUCLBK-UHFFFAOYSA-N -2 3 361.365 1.026 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000826279908 608490688 /nfs/dbraw/zinc/49/06/88/608490688.db2.gz GZCIEOOULOUBQD-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000826279908 608490689 /nfs/dbraw/zinc/49/06/89/608490689.db2.gz GZCIEOOULOUBQD-UHFFFAOYSA-N -2 3 355.383 1.852 20 0 FDADHL O=S(=O)([N-]c1ncccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493628 609339108 /nfs/dbraw/zinc/33/91/08/609339108.db2.gz URSAPCZTEUUYRT-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ncccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493628 609339110 /nfs/dbraw/zinc/33/91/10/609339110.db2.gz URSAPCZTEUUYRT-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824796362 609398236 /nfs/dbraw/zinc/39/82/36/609398236.db2.gz OXVPQJGURXBHHX-NSHDSACASA-N -2 3 363.443 1.639 20 0 FDADHL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824796362 609398239 /nfs/dbraw/zinc/39/82/39/609398239.db2.gz OXVPQJGURXBHHX-NSHDSACASA-N -2 3 363.443 1.639 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000826280248 609458120 /nfs/dbraw/zinc/45/81/20/609458120.db2.gz UHQSAQIYHZCOLD-UHFFFAOYSA-N -2 3 359.367 1.705 20 0 FDADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000273705548 674564610 /nfs/dbraw/zinc/56/46/10/674564610.db2.gz KIYXQUWLNBZEKY-UFBFGSQYSA-N -2 3 360.382 1.424 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000048585378 671078056 /nfs/dbraw/zinc/07/80/56/671078056.db2.gz WQWCWTQLCLTNPS-UHFFFAOYSA-N -2 3 351.384 1.283 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCOCC)cc1 ZINC000064375341 671325175 /nfs/dbraw/zinc/32/51/75/671325175.db2.gz ZZIVFYLNGGLNCI-UHFFFAOYSA-N -2 3 359.448 1.395 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000262497605 672799220 /nfs/dbraw/zinc/79/92/20/672799220.db2.gz XDIBQYMEYCIRAR-SNVBAGLBSA-N -2 3 361.391 1.638 20 0 FDADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000281163627 675497135 /nfs/dbraw/zinc/49/71/35/675497135.db2.gz BPNQYPOCTMPYQD-SFYZADRCSA-N -2 3 364.192 1.896 20 0 FDADHL Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)[C@@H]3CCCOC3)cc2)n1 ZINC000372317427 677894358 /nfs/dbraw/zinc/89/43/58/677894358.db2.gz WNCJSJZDVMOQKJ-CYBMUJFWSA-N -2 3 365.411 1.706 20 0 FDADHL COCc1nc(=NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s[n-]1 ZINC000372734222 677969352 /nfs/dbraw/zinc/96/93/52/677969352.db2.gz BGUMSXZDYDYFGV-LLVKDONJSA-N -2 3 362.411 1.055 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1 ZINC000378012451 678672046 /nfs/dbraw/zinc/67/20/46/678672046.db2.gz ZVLWYQUMGWXXNX-GFCCVEGCSA-N -3 3 367.383 1.267 20 0 FDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1Cl ZINC000431179541 681109454 /nfs/dbraw/zinc/10/94/54/681109454.db2.gz HMAAPDBNTVOHIE-UHFFFAOYSA-N -2 3 372.786 1.964 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1F ZINC000474408691 685405362 /nfs/dbraw/zinc/40/53/62/685405362.db2.gz KZPRKHTVIRNNGY-UHFFFAOYSA-N -2 3 366.330 1.361 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1F ZINC000474408691 685405366 /nfs/dbraw/zinc/40/53/66/685405366.db2.gz KZPRKHTVIRNNGY-UHFFFAOYSA-N -2 3 366.330 1.361 20 0 FDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000436150734 681670470 /nfs/dbraw/zinc/67/04/70/681670470.db2.gz GKLXUMHSTAZMSR-UHFFFAOYSA-N -2 3 363.391 1.892 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000436662601 681714370 /nfs/dbraw/zinc/71/43/70/681714370.db2.gz GNZZDEPMPHMNHG-UHFFFAOYSA-N -3 3 351.336 1.678 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000462099664 684613573 /nfs/dbraw/zinc/61/35/73/684613573.db2.gz GPVDOSXRYXRAHU-QHCPKHFHSA-N -2 3 369.420 1.937 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(F)cc1Br ZINC000518337456 690133355 /nfs/dbraw/zinc/13/33/55/690133355.db2.gz LQKINYWYGGXVHO-LDWIPMOCSA-N -2 3 370.196 1.009 20 0 FDADHL O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000890530913 769511507 /nfs/dbraw/zinc/51/15/07/769511507.db2.gz NILBDPUCFMPFPJ-SECBINFHSA-N -2 3 352.753 1.689 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)n1 ZINC000924299828 770618739 /nfs/dbraw/zinc/61/87/39/770618739.db2.gz VUNGSGSGWUIIIZ-UHFFFAOYSA-N -2 3 368.315 1.576 20 0 FDADHL O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC=CCC1 ZINC000653298812 792873854 /nfs/dbraw/zinc/87/38/54/792873854.db2.gz KUGSDCFWBZGAIV-IBGZPJMESA-N -2 3 358.394 1.488 20 0 FDADHL CCc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)cn1CC1CC1 ZINC000663290877 806342362 /nfs/dbraw/zinc/34/23/62/806342362.db2.gz KDOLNUZAWLJSKT-SNVBAGLBSA-N -2 3 365.402 1.490 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c[nH]1 ZINC000663294100 806344914 /nfs/dbraw/zinc/34/49/14/806344914.db2.gz OESSBKZUDQOKFK-QMMMGPOBSA-N -2 3 357.354 1.855 20 0 FDADHL O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1)c1ncccc1[O-] ZINC000981207617 807717364 /nfs/dbraw/zinc/71/73/64/807717364.db2.gz LXZDPQLZZHQYGN-QWHCGFSZSA-N -2 3 355.394 1.821 20 0 FDADHL CCC[C@H]1CN(C(=O)c2cncc([O-])c2)CCN1C(=O)c1cncc([O-])c1 ZINC000279334747 808931821 /nfs/dbraw/zinc/93/18/21/808931821.db2.gz DAANHSRWADRKCF-HNNXBMFYSA-N -2 3 370.409 1.655 20 0 FDADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c(C(=O)[O-])c1 ZINC000523185662 828145898 /nfs/dbraw/zinc/14/58/98/828145898.db2.gz SHMQRVZNBCNGIK-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL Cc1cccc(CO[N-]C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000898935982 845490351 /nfs/dbraw/zinc/49/03/51/845490351.db2.gz LAVPHTILVAVFIJ-MRXNPFEDSA-N -2 3 355.394 1.948 20 0 FDADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnn[n-]2)c1 ZINC000481993047 847213302 /nfs/dbraw/zinc/21/33/02/847213302.db2.gz QEJZALXAXVRVNB-UHFFFAOYSA-N -2 3 372.410 1.870 20 0 FDADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nn[n-]n2)c1 ZINC000481993047 847213313 /nfs/dbraw/zinc/21/33/13/847213313.db2.gz QEJZALXAXVRVNB-UHFFFAOYSA-N -2 3 372.410 1.870 20 0 FDADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000906010836 852536838 /nfs/dbraw/zinc/53/68/38/852536838.db2.gz OYCHZSPGGVAHPZ-ZANVPECISA-N -2 3 351.783 1.780 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCCO2 ZINC000645943328 855138855 /nfs/dbraw/zinc/13/88/55/855138855.db2.gz XKKCIWJYZNIWAG-UHFFFAOYSA-N -2 3 370.408 1.134 20 0 FDADHL COc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000910169935 856926834 /nfs/dbraw/zinc/92/68/34/856926834.db2.gz ICUMUASOXSNDTA-JTQLQIEISA-N -2 3 356.806 1.675 20 0 FDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001168429731 867897613 /nfs/dbraw/zinc/89/76/13/867897613.db2.gz IAFUBUTZENHYJD-UHFFFAOYSA-N -2 3 352.354 1.276 20 0 FDADHL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000673464810 877340629 /nfs/dbraw/zinc/34/06/29/877340629.db2.gz AFLRHFJCNOSYOU-UHFFFAOYSA-N -2 3 359.411 1.588 20 0 FDADHL CC(C)(CCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)NC(=O)[O-] ZINC000738745029 890201716 /nfs/dbraw/zinc/20/17/16/890201716.db2.gz XJMBIEJHCKQPFJ-UHFFFAOYSA-N -2 3 363.414 1.503 20 0 FDADHL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000737239033 924993831 /nfs/dbraw/zinc/99/38/31/924993831.db2.gz YFZKEQBXOBSLRH-UHFFFAOYSA-N -2 3 373.394 1.983 20 0 FDADHL O=C([N-]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000804351636 929220965 /nfs/dbraw/zinc/22/09/65/929220965.db2.gz ALQGBWGMPQSXHN-UHFFFAOYSA-N -2 3 365.160 1.950 20 0 FDADHL C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000789398396 933029144 /nfs/dbraw/zinc/02/91/44/933029144.db2.gz AIYHDGUCZYWAOM-WTKPLQERSA-N -2 3 364.420 1.358 20 0 FDADHL O=C([N-]Cc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)o1)C(F)(F)F ZINC001132571886 941086001 /nfs/dbraw/zinc/08/60/01/941086001.db2.gz BQZPGXULDUNKTG-UHFFFAOYSA-N -2 3 370.287 1.547 20 0 FDADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001195258595 970798769 /nfs/dbraw/zinc/79/87/69/970798769.db2.gz RALHMUJUYFAEOM-LLVKDONJSA-N -2 3 364.370 1.102 20 0 FDADHL CC1(C)OCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CO1 ZINC001195254255 970794174 /nfs/dbraw/zinc/79/41/74/970794174.db2.gz KGIUYZGIZZOQSQ-UHFFFAOYSA-N -2 3 351.327 1.093 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccn(CCF)n2)c(F)cc1F ZINC001195263937 970801580 /nfs/dbraw/zinc/80/15/80/970801580.db2.gz OLYLJXQBBAZXLM-UHFFFAOYSA-N -2 3 363.317 1.308 20 0 FDADHL Cn1ncc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1Br ZINC001601029038 970910130 /nfs/dbraw/zinc/91/01/30/970910130.db2.gz RKRUNMGOYPFCDW-UHFFFAOYSA-N -2 3 366.237 1.104 20 0 FDADHL CCCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821134470 945639688 /nfs/dbraw/zinc/63/96/88/945639688.db2.gz WTVAMKSDAUSKPF-UHFFFAOYSA-N -2 3 366.428 1.913 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1F ZINC000821845108 945884804 /nfs/dbraw/zinc/88/48/04/945884804.db2.gz ASVDWRSYJFQVTL-UHFFFAOYSA-N -2 3 356.364 1.272 20 0 FDADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824897454 946977186 /nfs/dbraw/zinc/97/71/86/946977186.db2.gz AKRZQLPCUHJRFA-RKDXNWHRSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824897454 946977195 /nfs/dbraw/zinc/97/71/95/946977195.db2.gz AKRZQLPCUHJRFA-RKDXNWHRSA-N -2 3 369.834 1.761 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c2ccccc2)nc1Cl ZINC000844698875 948344421 /nfs/dbraw/zinc/34/44/21/948344421.db2.gz LPNOAHWVQYQZBN-CQSZACIVSA-N -2 3 357.819 1.394 20 0 FDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[C@H]1OC ZINC000844896273 948483637 /nfs/dbraw/zinc/48/36/37/948483637.db2.gz CTJMBKHXIWSGNV-DMDPSCGWSA-N -2 3 365.354 1.134 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000846003989 950318990 /nfs/dbraw/zinc/31/89/90/950318990.db2.gz XDHKVNLHHBCMGC-UHFFFAOYSA-N -2 3 357.251 1.165 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c1 ZINC001591170659 951078920 /nfs/dbraw/zinc/07/89/20/951078920.db2.gz MWQZMQCRIQAUJW-UHFFFAOYSA-N -2 3 359.375 1.678 20 0 FDADHL C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001571020807 951399622 /nfs/dbraw/zinc/39/96/22/951399622.db2.gz XUADFVNOPQREEG-JQWIXIFHSA-N -2 3 366.385 1.077 20 0 FDADHL O=C([O-])CN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccc2c(c1)OCO2 ZINC001595067876 951575481 /nfs/dbraw/zinc/57/54/81/951575481.db2.gz YHPGJTROJUJNNH-UHFFFAOYSA-N -2 3 366.329 1.988 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770398 951584733 /nfs/dbraw/zinc/58/47/33/951584733.db2.gz APQKCRQFNSOFBC-UJNFCWOMSA-N -2 3 363.867 1.796 20 0 FDADHL CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001145031016 951766504 /nfs/dbraw/zinc/76/65/04/951766504.db2.gz ATAXZWKXJNHXMS-NSHDSACASA-N -2 3 352.368 1.754 20 0 FDADHL COc1cnc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)[n-]c1=O ZINC001571078980 952137837 /nfs/dbraw/zinc/13/78/37/952137837.db2.gz ZOLAIJMNHKBHMP-SNVBAGLBSA-N -2 3 371.357 1.250 20 0 FDADHL COc1cnc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)[n-]c1=O ZINC001571078980 952137842 /nfs/dbraw/zinc/13/78/42/952137842.db2.gz ZOLAIJMNHKBHMP-SNVBAGLBSA-N -2 3 371.357 1.250 20 0 FDADHL Cc1ccc(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)c([O-])c1 ZINC001148500882 952740554 /nfs/dbraw/zinc/74/05/54/952740554.db2.gz YZIWLWXIORGQSX-UHFFFAOYSA-N -2 3 362.407 1.571 20 0 FDADHL C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001589391356 954325069 /nfs/dbraw/zinc/32/50/69/954325069.db2.gz FHIGEUUXMBZMJJ-GXSJLCMTSA-N -2 3 374.846 1.894 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOCC1 ZINC001594884522 954449982 /nfs/dbraw/zinc/44/99/82/954449982.db2.gz HAVWAXBFWVNIEM-UHFFFAOYSA-N -2 3 368.436 1.722 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC001593894819 955817954 /nfs/dbraw/zinc/81/79/54/955817954.db2.gz HGAICKGOURGDCL-UHFFFAOYSA-N -2 3 362.791 1.197 20 0 FDADHL C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589090083 955926777 /nfs/dbraw/zinc/92/67/77/955926777.db2.gz OSCJXMYXYZVOLL-OAVHHTNSSA-N -2 3 361.398 1.678 20 0 FDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc21 ZINC001594728146 957023345 /nfs/dbraw/zinc/02/33/45/957023345.db2.gz XPWRDIMVYJGQAH-CABCVRRESA-N -2 3 350.330 1.613 20 0 FDADHL O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1c1ccccc1 ZINC001574827748 957951486 /nfs/dbraw/zinc/95/14/86/957951486.db2.gz VCKPDRYCMQMFAZ-JKSUJKDBSA-N -2 3 364.357 1.511 20 0 FDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C1CC1 ZINC001588589833 959336398 /nfs/dbraw/zinc/33/63/98/959336398.db2.gz URDGDXANPHTINX-MRVPVSSYSA-N -2 3 360.819 1.789 20 0 FDADHL CC(C)C[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001588905572 962263355 /nfs/dbraw/zinc/26/33/55/962263355.db2.gz LVNWTPIUIHRJAZ-RYUDHWBXSA-N -2 3 364.464 1.126 20 0 FDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCC1CCCC1 ZINC001574648112 962398988 /nfs/dbraw/zinc/39/89/88/962398988.db2.gz SAXMPAPPHXNHAW-STQMWFEESA-N -2 3 366.380 1.789 20 0 FDADHL O=C(CCc1nc(-c2cccnc2)no1)NCCCCP(=O)([O-])[O-] ZINC001176784702 963540691 /nfs/dbraw/zinc/54/06/91/963540691.db2.gz XCSFEMCFTYOWGL-UHFFFAOYSA-N -2 3 354.303 1.138 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2c(Br)cnn2C)cc1C(=O)[O-] ZINC001184659293 963680308 /nfs/dbraw/zinc/68/03/08/963680308.db2.gz DAQAGXIAJPYAMS-UHFFFAOYSA-N -2 3 374.216 1.990 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2c(Cl)ncnc2OC)cc1C(=O)[O-] ZINC001185272110 963893482 /nfs/dbraw/zinc/89/34/82/963893482.db2.gz YNEBQQXAAFPHER-UHFFFAOYSA-N -2 3 373.774 1.646 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cncn3)c2)cc1C(=O)[O-] ZINC001185306970 963906968 /nfs/dbraw/zinc/90/69/68/963906968.db2.gz NLUXLBLVIQVOPS-UHFFFAOYSA-N -2 3 374.378 1.775 20 0 FDADHL COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566506 963979379 /nfs/dbraw/zinc/97/93/79/963979379.db2.gz OEWJQRQPZLEGNC-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566506 963979385 /nfs/dbraw/zinc/97/93/85/963979385.db2.gz OEWJQRQPZLEGNC-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185610209 964003961 /nfs/dbraw/zinc/00/39/61/964003961.db2.gz VSHUVNOBPGMJIF-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185610209 964003968 /nfs/dbraw/zinc/00/39/68/964003968.db2.gz VSHUVNOBPGMJIF-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186770224 964737373 /nfs/dbraw/zinc/73/73/73/964737373.db2.gz BAKAUAPOXSPICT-UHFFFAOYSA-N -2 3 372.255 1.963 20 0 FDADHL CCOCCS(=O)(=O)[N-]c1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001187287726 965165968 /nfs/dbraw/zinc/16/59/68/965165968.db2.gz RKSOKDGTUGQJJP-UHFFFAOYSA-N -2 3 359.425 1.865 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])cc1Cl ZINC000776589559 967273080 /nfs/dbraw/zinc/27/30/80/967273080.db2.gz NMACIIDYSISZPT-SSDOTTSWSA-N -2 3 366.798 1.827 20 0 FDADHL COCCN(C(=O)c1ccccc1OP(=O)([O-])[O-])C1CCN(C)CC1 ZINC001189877236 967328916 /nfs/dbraw/zinc/32/89/16/967328916.db2.gz JVWISBDGPBAXBK-UHFFFAOYSA-N -2 3 372.358 1.341 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N(C)C(N)=O)c2)c1 ZINC001189878755 967329725 /nfs/dbraw/zinc/32/97/25/967329725.db2.gz GWONNRUJHPPMCJ-UHFFFAOYSA-N -2 3 351.384 1.717 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccccc1 ZINC000776598309 967363194 /nfs/dbraw/zinc/36/31/94/967363194.db2.gz BZCVPMYYZPHZRE-RYUDHWBXSA-N -2 3 361.828 1.867 20 0 FDADHL COc1cccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852735235 967562755 /nfs/dbraw/zinc/56/27/55/967562755.db2.gz GXAJEOJPPIQFLO-OLZOCXBDSA-N -2 3 360.332 1.791 20 0 FDADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852736214 967565929 /nfs/dbraw/zinc/56/59/29/967565929.db2.gz WCZNOZWRBIEELA-OAHLLOKOSA-N -2 3 370.453 1.762 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c1F ZINC000776634253 967712107 /nfs/dbraw/zinc/71/21/07/967712107.db2.gz XWULSRMUKUTKRC-QMMMGPOBSA-N -2 3 365.354 1.531 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC000853069881 967802140 /nfs/dbraw/zinc/80/21/40/967802140.db2.gz SQIPRVYUBCMZCI-LLVKDONJSA-N -2 3 357.359 1.372 20 0 FDADHL CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001191319500 968444510 /nfs/dbraw/zinc/44/45/10/968444510.db2.gz HGRKTDMDNMSZHW-UHFFFAOYSA-N -2 3 371.330 1.291 20 0 FDADHL CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(Cl)cc1F)=C(C)[O-] ZINC001191916924 968849812 /nfs/dbraw/zinc/84/98/12/968849812.db2.gz MCXFUACMFDSZHE-LBPRGKRZSA-N -2 3 351.783 1.419 20 0 FDADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192665644 969243481 /nfs/dbraw/zinc/24/34/81/969243481.db2.gz ROEUXAHLKYRGAI-UHFFFAOYSA-N -2 3 358.322 1.536 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193157433 969519009 /nfs/dbraw/zinc/51/90/09/969519009.db2.gz WWZZQHCVEKMHSY-UHFFFAOYSA-N -2 3 361.356 1.310 20 0 FDADHL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(=O)[nH]1 ZINC001194045058 969972062 /nfs/dbraw/zinc/97/20/62/969972062.db2.gz XTWIFINTJZMNOP-UHFFFAOYSA-N -2 3 361.738 1.370 20 0 FDADHL 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557768485 /nfs/dbraw/zinc/76/84/85/557768485.db2.gz CXKQFDNYUOPIMX-IUCAKERBSA-N -2 3 353.849 1.950 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cscc1Br)[C@H]1CCCO1 ZINC000630422962 557908032 /nfs/dbraw/zinc/90/80/32/557908032.db2.gz DSWZAQKXWINIOH-APPZFPTMSA-N -2 3 370.246 1.421 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)[C@@H]1CCCO1 ZINC000630425985 557908518 /nfs/dbraw/zinc/90/85/18/557908518.db2.gz XADFZVIFTZSJHZ-NWDGAFQWSA-N -2 3 351.783 1.531 20 0 FDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCOC1 ZINC000630432418 557909031 /nfs/dbraw/zinc/90/90/31/557909031.db2.gz LXUCRAVNYKIWTB-ZDUSSCGKSA-N -2 3 351.783 1.639 20 0 FDADHL COc1ccc(CN=c2[n-]nc(CCO)s2)c(Br)c1[O-] ZINC000630958225 557963694 /nfs/dbraw/zinc/96/36/94/557963694.db2.gz JPFGIEYVRMSHMX-UHFFFAOYSA-N -2 3 360.233 1.584 20 0 FDADHL CN1CCC(n2ccc([N-]S(=O)(=O)c3cc([O-])cc(F)c3)n2)CC1 ZINC000634792182 558528775 /nfs/dbraw/zinc/52/87/75/558528775.db2.gz GLXXZJZZSDSVRO-UHFFFAOYSA-N -2 3 354.407 1.795 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000737225818 598949550 /nfs/dbraw/zinc/94/95/50/598949550.db2.gz SQLUXETWVVSKOZ-UHFFFAOYSA-N -2 3 373.394 1.747 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000737225818 598949552 /nfs/dbraw/zinc/94/95/52/598949552.db2.gz SQLUXETWVVSKOZ-UHFFFAOYSA-N -2 3 373.394 1.747 20 0 FDADHL CCCSCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736497062 598975773 /nfs/dbraw/zinc/97/57/73/598975773.db2.gz BXNBNLATIZDHMZ-UHFFFAOYSA-N -2 3 355.445 1.123 20 0 FDADHL CCCSCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736497062 598975775 /nfs/dbraw/zinc/97/57/75/598975775.db2.gz BXNBNLATIZDHMZ-UHFFFAOYSA-N -2 3 355.445 1.123 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 ZINC000737299023 598975056 /nfs/dbraw/zinc/97/50/56/598975056.db2.gz OOCHBVLUNCTXCM-UHFFFAOYSA-N -2 3 373.438 1.726 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 ZINC000737299023 598975058 /nfs/dbraw/zinc/97/50/58/598975058.db2.gz OOCHBVLUNCTXCM-UHFFFAOYSA-N -2 3 373.438 1.726 20 0 FDADHL Cc1ccc(-n2[n-]nnc2=NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822224809 599048536 /nfs/dbraw/zinc/04/85/36/599048536.db2.gz AVHKMFIBHCAMRI-UHFFFAOYSA-N -2 3 363.385 1.064 20 0 FDADHL CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735921187 599117036 /nfs/dbraw/zinc/11/70/36/599117036.db2.gz NPOMYBYDOFCOIA-UHFFFAOYSA-N -2 3 366.432 1.286 20 0 FDADHL O=C([O-])[C@H]1CC(C(=O)Nc2n[n-]c(-c3ccco3)n2)=NN1c1ccccc1 ZINC000740478741 597004840 /nfs/dbraw/zinc/00/48/40/597004840.db2.gz WTCFAHKYSJQFEH-GFCCVEGCSA-N -2 3 366.337 1.723 20 0 FDADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000737611038 599236627 /nfs/dbraw/zinc/23/66/27/599236627.db2.gz ALIUJSRCZOPZPM-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000737611038 599236629 /nfs/dbraw/zinc/23/66/29/599236629.db2.gz ALIUJSRCZOPZPM-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL CC(C)N(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000766943388 598073747 /nfs/dbraw/zinc/07/37/47/598073747.db2.gz NJUYWWMOCBGXEZ-UHFFFAOYSA-N -2 3 358.391 1.202 20 0 FDADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737172886 598414818 /nfs/dbraw/zinc/41/48/18/598414818.db2.gz VUZNNCDVWGOFGS-ZCFIWIBFSA-N -2 3 361.836 1.077 20 0 FDADHL CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737172886 598414820 /nfs/dbraw/zinc/41/48/20/598414820.db2.gz VUZNNCDVWGOFGS-ZCFIWIBFSA-N -2 3 361.836 1.077 20 0 FDADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCSC1 ZINC000737810029 598617542 /nfs/dbraw/zinc/61/75/42/598617542.db2.gz XCGGPLZBCRBVFZ-AWEZNQCLSA-N -2 3 351.363 1.542 20 0 FDADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCSC1 ZINC000737810029 598617544 /nfs/dbraw/zinc/61/75/44/598617544.db2.gz XCGGPLZBCRBVFZ-AWEZNQCLSA-N -2 3 351.363 1.542 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)C1=Cc2ccccc2CC1 ZINC000738345993 598638455 /nfs/dbraw/zinc/63/84/55/598638455.db2.gz VACPSSJBMYQWQM-UHFFFAOYSA-N -2 3 354.395 1.991 20 0 FDADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000821148233 599305793 /nfs/dbraw/zinc/30/57/93/599305793.db2.gz MUXWBJRNCPLBSH-UHFFFAOYSA-N -2 3 367.822 1.927 20 0 FDADHL CCCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000821148233 599305795 /nfs/dbraw/zinc/30/57/95/599305795.db2.gz MUXWBJRNCPLBSH-UHFFFAOYSA-N -2 3 367.822 1.927 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cn1 ZINC000737612456 599560994 /nfs/dbraw/zinc/56/09/94/599560994.db2.gz ZFKYJZKUQWWRHB-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cn1 ZINC000737612456 599560996 /nfs/dbraw/zinc/56/09/96/599560996.db2.gz ZFKYJZKUQWWRHB-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000738838394 599739511 /nfs/dbraw/zinc/73/95/11/599739511.db2.gz RJBBRNKXIYOOFM-NSHDSACASA-N -2 3 358.398 1.252 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000319748736 599777657 /nfs/dbraw/zinc/77/76/57/599777657.db2.gz IWOBSCFMPROSKU-MRVPVSSYSA-N -2 3 356.322 1.140 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H](C)C(=O)[O-])cc1OC ZINC000653537301 599787245 /nfs/dbraw/zinc/78/72/45/599787245.db2.gz TUWCHZKYLPDQQY-SECBINFHSA-N -2 3 359.404 1.299 20 0 FDADHL O=C([O-])c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000738471033 600164445 /nfs/dbraw/zinc/16/44/45/600164445.db2.gz IEUBLWRXMDRBCY-UHFFFAOYSA-N -2 3 372.333 1.002 20 0 FDADHL O=C([O-])[C@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1ccc(O)cc1 ZINC000739396162 600181344 /nfs/dbraw/zinc/18/13/44/600181344.db2.gz DUPNDKHEZAZHHB-NSHDSACASA-N -2 3 359.334 1.500 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c(F)c1 ZINC000740155841 600236882 /nfs/dbraw/zinc/23/68/82/600236882.db2.gz WTPAECPYBKFDRS-UHFFFAOYSA-N -2 3 351.311 1.995 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c2)n1 ZINC000655942121 600345784 /nfs/dbraw/zinc/34/57/84/600345784.db2.gz INZNSJRCWFDGDA-JTQLQIEISA-N -2 3 372.381 1.187 20 0 FDADHL Cc1cccc(C[C@@H](CNC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])c1 ZINC000237685169 600362961 /nfs/dbraw/zinc/36/29/61/600362961.db2.gz VKFGDBDGXGDRDU-AWEZNQCLSA-N -2 3 365.389 1.905 20 0 FDADHL O=C([O-])c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(F)c1 ZINC000739420103 600402560 /nfs/dbraw/zinc/40/25/60/600402560.db2.gz NYJAOYIXMCFMCA-UHFFFAOYSA-N -2 3 361.329 1.781 20 0 FDADHL O=C([O-])c1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(F)cc1F ZINC000739441937 600510623 /nfs/dbraw/zinc/51/06/23/600510623.db2.gz HKSDAZFYTSPOSQ-UHFFFAOYSA-N -2 3 368.267 1.763 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000055572172 600541249 /nfs/dbraw/zinc/54/12/49/600541249.db2.gz JOVSHWOFAUEWJC-UHFFFAOYSA-N -2 3 367.339 1.685 20 0 FDADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000738202123 600667106 /nfs/dbraw/zinc/66/71/06/600667106.db2.gz XWGWIQSZLBPJMJ-VIFPVBQESA-N 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/nfs/dbraw/zinc/22/98/90/601229890.db2.gz YZMMRJVSCNWNEP-UHFFFAOYSA-N -2 3 362.379 1.949 20 0 FDADHL C/C(=C\COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000825765205 601421887 /nfs/dbraw/zinc/42/18/87/601421887.db2.gz NSROABDUIIFBBT-QPJJXVBHSA-N -2 3 353.805 1.254 20 0 FDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000828638797 601462732 /nfs/dbraw/zinc/46/27/32/601462732.db2.gz VRVOGPZBJYQGOR-MRXNPFEDSA-N -2 3 372.418 1.640 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000832993518 601527515 /nfs/dbraw/zinc/52/75/15/601527515.db2.gz ZBTHBYKOKRFNPY-OAHLLOKOSA-N -2 3 370.409 1.442 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1(N2CCOCC2)CCCC1 ZINC000827753337 601584895 /nfs/dbraw/zinc/58/48/95/601584895.db2.gz BSDAURJYMSHRRH-GFCCVEGCSA-N -2 3 372.443 1.290 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc1OC ZINC000830136633 601624379 /nfs/dbraw/zinc/62/43/79/601624379.db2.gz BAJXDYKIHPTHGF-UHFFFAOYSA-N -2 3 373.431 1.689 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])sc2C)c(C)o1 ZINC000831034065 601734179 /nfs/dbraw/zinc/73/41/79/601734179.db2.gz JTKYVKHCBRHDRZ-UHFFFAOYSA-N -2 3 373.408 1.921 20 0 FDADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000326909358 601831011 /nfs/dbraw/zinc/83/10/11/601831011.db2.gz NXASWLPGHZVCAL-FPYGCLRLSA-N -2 3 364.354 1.823 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(N(C)C)n1 ZINC000826291766 607532760 /nfs/dbraw/zinc/53/27/60/607532760.db2.gz VIKKVQNYBJGSOB-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL O=C([O-])N1[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C[C@@H]2CCCC[C@@H]21 ZINC000740445926 602500960 /nfs/dbraw/zinc/50/09/60/602500960.db2.gz ZCGIMTRWQGDKOQ-KKUMJFAQSA-N -2 3 370.413 1.794 20 0 FDADHL O=C([O-])N1[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]2CCCC[C@@H]21 ZINC000740445926 602500962 /nfs/dbraw/zinc/50/09/62/602500962.db2.gz ZCGIMTRWQGDKOQ-KKUMJFAQSA-N -2 3 370.413 1.794 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000828777936 603126709 /nfs/dbraw/zinc/12/67/09/603126709.db2.gz FGOYMWXXLXTIFL-PWSUYJOCSA-N -2 3 374.390 1.327 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC2(NC(=O)[O-])CCCCC2)c(C)o1 ZINC000828580289 603532322 /nfs/dbraw/zinc/53/23/22/603532322.db2.gz XPGFUFWERQSXBS-UHFFFAOYSA-N -2 3 373.431 1.196 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])nc2)c(C)o1 ZINC000828580431 603534610 /nfs/dbraw/zinc/53/46/10/603534610.db2.gz ZYYMPORLJXCYGR-UHFFFAOYSA-N -2 3 354.344 1.233 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)o1 ZINC000828580128 603536600 /nfs/dbraw/zinc/53/66/00/603536600.db2.gz VROQGDUYHMULCF-UHFFFAOYSA-N -2 3 367.383 1.516 20 0 FDADHL O=C([O-])N[C@H]1CCC[C@H](C(=O)OCC(=O)[N-]C(=O)c2cccs2)C1 ZINC000832334558 603876421 /nfs/dbraw/zinc/87/64/21/603876421.db2.gz YFXNCMNIOZJZIY-UWVGGRQHSA-N -2 3 354.384 1.374 20 0 FDADHL O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000831715540 604036364 /nfs/dbraw/zinc/03/63/64/604036364.db2.gz SMORIYOWGQBQHS-UHFFFAOYSA-N -2 3 373.340 1.827 20 0 FDADHL COC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000831631231 604487321 /nfs/dbraw/zinc/48/73/21/604487321.db2.gz CODJRETXTCPOOE-NSHDSACASA-N -2 3 370.196 1.356 20 0 FDADHL Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826268989 607695568 /nfs/dbraw/zinc/69/55/68/607695568.db2.gz WQUPKGCLAOVWGU-UHFFFAOYSA-N -2 3 373.442 1.745 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCCC[C@H]2CNC(=O)[O-])c(C)o1 ZINC000828579612 604659965 /nfs/dbraw/zinc/65/99/65/604659965.db2.gz OIEYFZPKSZGAQQ-JQWIXIFHSA-N -2 3 374.415 1.479 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)Nc1nccs1 ZINC000833485013 604703491 /nfs/dbraw/zinc/70/34/91/604703491.db2.gz WLMMRRNDNMKKQL-VHSXEESVSA-N -2 3 363.461 1.136 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000230953449 604704355 /nfs/dbraw/zinc/70/43/55/604704355.db2.gz QZWJIVCIZDHGQX-RQJHMYQMSA-N -2 3 368.205 1.586 20 0 FDADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1)c2=O ZINC000830438815 604774120 /nfs/dbraw/zinc/77/41/20/604774120.db2.gz LPWBWVBQEUPIAJ-ZWNOBZJWSA-N -2 3 360.370 1.141 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000833716168 604808466 /nfs/dbraw/zinc/80/84/66/604808466.db2.gz SXHNJIIFMGWJHQ-BLLLJJGKSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)NCC1CCCC1 ZINC000826630655 604814912 /nfs/dbraw/zinc/81/49/12/604814912.db2.gz MKUXJYHXQIEBIE-UHFFFAOYSA-N -2 3 358.416 1.341 20 0 FDADHL CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000827747532 604921369 /nfs/dbraw/zinc/92/13/69/604921369.db2.gz YLUAUWQPUVNOES-OCCSQVGLSA-N -2 3 361.398 1.208 20 0 FDADHL COc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000832407249 604989027 /nfs/dbraw/zinc/98/90/27/604989027.db2.gz COGGHKXTFXIQTD-CQSZACIVSA-N -2 3 351.384 1.700 20 0 FDADHL CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833434094 605010590 /nfs/dbraw/zinc/01/05/90/605010590.db2.gz PTICBPQKOFXODU-UHFFFAOYSA-N -2 3 364.445 1.632 20 0 FDADHL Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833757382 605015786 /nfs/dbraw/zinc/01/57/86/605015786.db2.gz ZBUBAKFOEGAHRU-UHFFFAOYSA-N -2 3 366.424 1.478 20 0 FDADHL COc1ccc(C2([N-]S(=O)(=O)c3csnc3C(=O)[O-])CC2)cc1 ZINC000833732583 605027259 /nfs/dbraw/zinc/02/72/59/605027259.db2.gz OARWOCPCEPPJLI-UHFFFAOYSA-N -2 3 354.409 1.818 20 0 FDADHL CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833506991 605205896 /nfs/dbraw/zinc/20/58/96/605205896.db2.gz QABBIGWFUWLEOJ-CQSZACIVSA-N -2 3 369.395 1.777 20 0 FDADHL CCc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833677544 605206936 /nfs/dbraw/zinc/20/69/36/605206936.db2.gz TVEBMJOWZOAGSX-UHFFFAOYSA-N -2 3 363.395 1.868 20 0 FDADHL CC1CCC2(CC1)OC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)O2 ZINC000833608309 605210995 /nfs/dbraw/zinc/21/09/95/605210995.db2.gz APWUUDUOQABVDW-LOIXOFCESA-N -2 3 359.400 1.578 20 0 FDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])N(C)C)cc1 ZINC000833748473 605302322 /nfs/dbraw/zinc/30/23/22/605302322.db2.gz APRKHTBCVOROTC-LBPRGKRZSA-N -2 3 369.468 1.731 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000827342589 605344508 /nfs/dbraw/zinc/34/45/08/605344508.db2.gz BFQHDGOPNMEFNV-LBPRGKRZSA-N -2 3 366.370 1.666 20 0 FDADHL O=C([O-])N[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000834126060 605628879 /nfs/dbraw/zinc/62/88/79/605628879.db2.gz YTSODWLESSUKSN-INIZCTEOSA-N -2 3 371.393 1.637 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCCNC(=O)[O-])c1 ZINC000833936176 605690206 /nfs/dbraw/zinc/69/02/06/605690206.db2.gz LDPBHZXVGFJHNY-UHFFFAOYSA-N -2 3 362.342 1.328 20 0 FDADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc3n[n-]nc32)cc1OC ZINC000833732061 605760673 /nfs/dbraw/zinc/76/06/73/605760673.db2.gz JWQJDOQPLBFTJD-CYBMUJFWSA-N -2 3 370.365 1.921 20 0 FDADHL CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000824287227 605789007 /nfs/dbraw/zinc/78/90/07/605789007.db2.gz CYNBPVJRKFCCGE-HNNXBMFYSA-N -2 3 363.414 1.359 20 0 FDADHL O=C([O-])N(CCCNC(=O)c1cccc2n[n-]nc21)Cc1cccnc1 ZINC000834039450 605847142 /nfs/dbraw/zinc/84/71/42/605847142.db2.gz CDBVDWVHYFYFLD-UHFFFAOYSA-N -2 3 354.370 1.653 20 0 FDADHL O=C([O-])N1CCC2(CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2)CC1 ZINC000834290648 605868006 /nfs/dbraw/zinc/86/80/06/605868006.db2.gz UGLFAYQFKYJLEF-UHFFFAOYSA-N -2 3 372.381 1.568 20 0 FDADHL O=C(COC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2)[N-]C(=O)c1cccs1 ZINC000834005933 605880562 /nfs/dbraw/zinc/88/05/62/605880562.db2.gz JBYHLMZTFYRYNM-SNVBAGLBSA-N -2 3 366.395 1.328 20 0 FDADHL O=C([O-])N[C@H](CC(=O)Nc1n[n-]c(SCCO)n1)c1ccccc1 ZINC000834131273 605952169 /nfs/dbraw/zinc/95/21/69/605952169.db2.gz WQTUPCDBWAINTQ-SNVBAGLBSA-N -2 3 351.388 1.227 20 0 FDADHL O=C([O-])N1CCC2(C[C@@H]2C(=O)OCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000834286520 605957194 /nfs/dbraw/zinc/95/71/94/605957194.db2.gz ZBYCPATZKNBQQC-SECBINFHSA-N -2 3 352.309 1.378 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819865839 606176458 /nfs/dbraw/zinc/17/64/58/606176458.db2.gz IPSLJWGOGHHWSU-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819865839 606176459 /nfs/dbraw/zinc/17/64/59/606176459.db2.gz IPSLJWGOGHHWSU-LLVKDONJSA-N -2 3 363.443 1.639 20 0 FDADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822689199 606339773 /nfs/dbraw/zinc/33/97/73/606339773.db2.gz IGKWJNOCYBHLGJ-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822689199 606339774 /nfs/dbraw/zinc/33/97/74/606339774.db2.gz IGKWJNOCYBHLGJ-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000821548699 606606850 /nfs/dbraw/zinc/60/68/50/606606850.db2.gz UJHUFCKEHHKWPE-UHFFFAOYSA-N -2 3 371.835 1.735 20 0 FDADHL CCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000821548699 606606852 /nfs/dbraw/zinc/60/68/52/606606852.db2.gz UJHUFCKEHHKWPE-UHFFFAOYSA-N -2 3 371.835 1.735 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000822620588 606709147 /nfs/dbraw/zinc/70/91/47/606709147.db2.gz XWRUTGGHNSQEFD-SREVYHEPSA-N -2 3 365.806 1.666 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000822623312 606709842 /nfs/dbraw/zinc/70/98/42/606709842.db2.gz STWXEOSGSBXXNO-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000822623288 606709880 /nfs/dbraw/zinc/70/98/80/606709880.db2.gz SLLQXBJGTAPKAT-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL COc1ncccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821920588 606866380 /nfs/dbraw/zinc/86/63/80/606866380.db2.gz UREYCFXLDIWGOC-UHFFFAOYSA-N -2 3 368.325 1.349 20 0 FDADHL COc1ncccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821920588 606866381 /nfs/dbraw/zinc/86/63/81/606866381.db2.gz UREYCFXLDIWGOC-UHFFFAOYSA-N -2 3 368.325 1.349 20 0 FDADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822486577 607026664 /nfs/dbraw/zinc/02/66/64/607026664.db2.gz PNLGYLZBHBCIRO-UHFFFAOYSA-N -2 3 368.448 1.518 20 0 FDADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683393 607095289 /nfs/dbraw/zinc/09/52/89/607095289.db2.gz AQXJTRWAJNRPSE-AAEUAGOBSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683393 607095291 /nfs/dbraw/zinc/09/52/91/607095291.db2.gz AQXJTRWAJNRPSE-AAEUAGOBSA-N -2 3 363.443 1.639 20 0 FDADHL CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000821571002 607106525 /nfs/dbraw/zinc/10/65/25/607106525.db2.gz VLFZHRCUDLPEPM-INIZCTEOSA-N -2 3 367.365 1.530 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315599 608141318 /nfs/dbraw/zinc/14/13/18/608141318.db2.gz NLPQCBHBWGGHLU-QPJJXVBHSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315599 608141319 /nfs/dbraw/zinc/14/13/19/608141319.db2.gz NLPQCBHBWGGHLU-QPJJXVBHSA-N -2 3 370.394 1.088 20 0 FDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824309384 608141805 /nfs/dbraw/zinc/14/18/05/608141805.db2.gz MDRANLNOWSRIAF-UHFFFAOYSA-N -2 3 367.431 1.018 20 0 FDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824309384 608141806 /nfs/dbraw/zinc/14/18/06/608141806.db2.gz MDRANLNOWSRIAF-UHFFFAOYSA-N -2 3 367.431 1.018 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225664 608180132 /nfs/dbraw/zinc/18/01/32/608180132.db2.gz WAJYMIDCWJUSSJ-CQSZACIVSA-N -2 3 365.459 1.885 20 0 FDADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225664 608180134 /nfs/dbraw/zinc/18/01/34/608180134.db2.gz WAJYMIDCWJUSSJ-CQSZACIVSA-N -2 3 365.459 1.885 20 0 FDADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826319056 608307039 /nfs/dbraw/zinc/30/70/39/608307039.db2.gz MOMVLUDAFKLHHI-UHFFFAOYSA-N -2 3 356.371 1.247 20 0 FDADHL C[C@@H]1CC([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000824893840 608447911 /nfs/dbraw/zinc/44/79/11/608447911.db2.gz VMNSSSNADDNIAJ-HTQZYQBOSA-N -2 3 373.385 1.379 20 0 FDADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826166262 609139335 /nfs/dbraw/zinc/13/93/35/609139335.db2.gz BRRQPPCLNAVOBG-CQSZACIVSA-N -2 3 373.394 1.059 20 0 FDADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826166262 609139336 /nfs/dbraw/zinc/13/93/36/609139336.db2.gz BRRQPPCLNAVOBG-CQSZACIVSA-N -2 3 373.394 1.059 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000824744675 609258678 /nfs/dbraw/zinc/25/86/78/609258678.db2.gz DGQKLWKDMTVHPE-STQMWFEESA-N -2 3 373.413 1.737 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000824744675 609258680 /nfs/dbraw/zinc/25/86/80/609258680.db2.gz DGQKLWKDMTVHPE-STQMWFEESA-N -2 3 373.413 1.737 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000824744672 609258837 /nfs/dbraw/zinc/25/88/37/609258837.db2.gz DGQKLWKDMTVHPE-CHWSQXEVSA-N -2 3 373.413 1.737 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000824744672 609258839 /nfs/dbraw/zinc/25/88/39/609258839.db2.gz DGQKLWKDMTVHPE-CHWSQXEVSA-N -2 3 373.413 1.737 20 0 FDADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826461401 609260348 /nfs/dbraw/zinc/26/03/48/609260348.db2.gz SNLICJBNMOUGMY-ZDUSSCGKSA-N -2 3 359.386 1.491 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000826278808 609527996 /nfs/dbraw/zinc/52/79/96/609527996.db2.gz UMJVAMGSDRSNBU-UHFFFAOYSA-N -2 3 359.415 1.509 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000826278808 609527998 /nfs/dbraw/zinc/52/79/98/609527998.db2.gz UMJVAMGSDRSNBU-UHFFFAOYSA-N -2 3 359.415 1.509 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cccc1-c1nnn[n-]1 ZINC000826242803 609530717 /nfs/dbraw/zinc/53/07/17/609530717.db2.gz HCNVXLDCTYDQIA-UHFFFAOYSA-N -2 3 359.415 1.509 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cccc1-c1nn[n-]n1 ZINC000826242803 609530718 /nfs/dbraw/zinc/53/07/18/609530718.db2.gz HCNVXLDCTYDQIA-UHFFFAOYSA-N -2 3 359.415 1.509 20 0 FDADHL O=S(=O)([N-]CC[C@H]1CCCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490817 609590192 /nfs/dbraw/zinc/59/01/92/609590192.db2.gz IODPUJCVBODHJG-SNVBAGLBSA-N -2 3 373.385 1.382 20 0 FDADHL O=C([O-])[C@H](CSCCOc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000277219322 674890591 /nfs/dbraw/zinc/89/05/91/674890591.db2.gz HQVGRPXHXGFCCD-ZDUSSCGKSA-N -2 3 371.436 1.823 20 0 FDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000043468375 670937185 /nfs/dbraw/zinc/93/71/85/670937185.db2.gz DNDKZKUQTVKIRC-UHFFFAOYSA-N -2 3 350.238 1.742 20 0 FDADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000047215115 671026091 /nfs/dbraw/zinc/02/60/91/671026091.db2.gz RFGHWOFWTCZPIZ-UHFFFAOYSA-N -3 3 365.205 1.113 20 0 FDADHL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(C(F)(F)F)c1 ZINC000055546252 671236005 /nfs/dbraw/zinc/23/60/05/671236005.db2.gz XRPBDVZKQHUURX-UHFFFAOYSA-N -2 3 370.312 1.595 20 0 FDADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC000057723572 671269336 /nfs/dbraw/zinc/26/93/36/671269336.db2.gz VMSWNIJPCNZGAW-UHFFFAOYSA-N -3 3 355.759 1.057 20 0 FDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000281163624 675496905 /nfs/dbraw/zinc/49/69/05/675496905.db2.gz BPNQYPOCTMPYQD-HTQZYQBOSA-N -2 3 364.192 1.896 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])s1 ZINC000285007359 675780909 /nfs/dbraw/zinc/78/09/09/675780909.db2.gz HGTSEIWDRURYJV-QMMMGPOBSA-N -2 3 363.413 1.075 20 0 FDADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285013453 675782203 /nfs/dbraw/zinc/78/22/03/675782203.db2.gz HOWZIRFCDMHDQK-MRVPVSSYSA-N -2 3 361.725 1.473 20 0 FDADHL Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C2 ZINC000364107150 676992351 /nfs/dbraw/zinc/99/23/51/676992351.db2.gz XQGHIVPBTBFWGL-VIFPVBQESA-N -2 3 371.365 1.461 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)o1 ZINC000377174458 678472042 /nfs/dbraw/zinc/47/20/42/678472042.db2.gz XXBZNNWMLFXHBB-UHFFFAOYSA-N -2 3 370.437 2.020 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000417438148 679892513 /nfs/dbraw/zinc/89/25/13/679892513.db2.gz IWMVHCHAYSYRIV-SNVBAGLBSA-N -2 3 372.624 1.216 20 0 FDADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000421166891 680613445 /nfs/dbraw/zinc/61/34/45/680613445.db2.gz RKZPMCILNOTARK-NSHDSACASA-N -2 3 371.459 1.385 20 0 FDADHL O=C(Nc1ncccc1[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436799347 681730637 /nfs/dbraw/zinc/73/06/37/681730637.db2.gz PFKUKFLAJDVUKY-UHFFFAOYSA-N -2 3 363.395 1.530 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)nnc1C ZINC000446820728 682514985 /nfs/dbraw/zinc/51/49/85/682514985.db2.gz GZYSHZWEQFUPQB-UHFFFAOYSA-N -2 3 374.419 1.405 20 0 FDADHL CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000448078193 682592599 /nfs/dbraw/zinc/59/25/99/682592599.db2.gz QLLRBUHZRAXPGS-UHFFFAOYSA-N -2 3 374.415 1.582 20 0 FDADHL C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000462102045 684614083 /nfs/dbraw/zinc/61/40/83/684614083.db2.gz NKAYXLATQGIMES-HSZRJFAPSA-N -2 3 364.404 1.108 20 0 FDADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000477507740 685861008 /nfs/dbraw/zinc/86/10/08/685861008.db2.gz XAYITSOWZHFMMS-UHFFFAOYSA-N -2 3 369.468 1.925 20 0 FDADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cnn(CC(F)F)c1 ZINC000477512894 685861373 /nfs/dbraw/zinc/86/13/73/685861373.db2.gz ANYATYNDVLPKGO-UHFFFAOYSA-N -2 3 369.357 1.053 20 0 FDADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cnn(CC(F)F)c1 ZINC000477512894 685861380 /nfs/dbraw/zinc/86/13/80/685861380.db2.gz ANYATYNDVLPKGO-UHFFFAOYSA-N -2 3 369.357 1.053 20 0 FDADHL Cc1ccc(OCCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000517930668 690105218 /nfs/dbraw/zinc/10/52/18/690105218.db2.gz CRJCGFRVFUBCLB-UHFFFAOYSA-N -2 3 356.425 1.897 20 0 FDADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000520798141 690356987 /nfs/dbraw/zinc/35/69/87/690356987.db2.gz PJUYVVIAOLNQIY-KWQFWETISA-N -2 3 365.249 1.868 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)o1 ZINC000683324737 771408330 /nfs/dbraw/zinc/40/83/30/771408330.db2.gz IDNBENHQMLBPJY-NSHDSACASA-N -2 3 372.443 1.459 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)o1 ZINC000655578939 771657176 /nfs/dbraw/zinc/65/71/76/771657176.db2.gz HSQNPHONAJWZQH-JFUSQASVSA-N -2 3 372.443 1.361 20 0 FDADHL O=C([O-])[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C1CCC1 ZINC000663152607 805749352 /nfs/dbraw/zinc/74/93/52/805749352.db2.gz LPYRMJJFOZEBCZ-HUUCEWRRSA-N -2 3 360.410 1.614 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000738524958 828053012 /nfs/dbraw/zinc/05/30/12/828053012.db2.gz XRSWMMMXUIRZKF-GFCCVEGCSA-N -2 3 354.815 1.957 20 0 FDADHL CCOC(=O)c1nnc(C2CCN(C(=O)c3ncc(C)cc3[O-])CC2)[n-]1 ZINC000444753965 828188651 /nfs/dbraw/zinc/18/86/51/828188651.db2.gz AGQNWFKGEJNLAK-UHFFFAOYSA-N -2 3 359.386 1.410 20 0 FDADHL CCOC(=O)c1nc(C2CCN(C(=O)c3ncc(C)cc3[O-])CC2)n[n-]1 ZINC000444753965 828188656 /nfs/dbraw/zinc/18/86/56/828188656.db2.gz AGQNWFKGEJNLAK-UHFFFAOYSA-N -2 3 359.386 1.410 20 0 FDADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000906003227 852501378 /nfs/dbraw/zinc/50/13/78/852501378.db2.gz APPJDOSPYJONLU-NSHDSACASA-N -2 3 355.334 1.508 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Cl)cc1F ZINC000907005188 853673297 /nfs/dbraw/zinc/67/32/97/853673297.db2.gz LOJKNXZDUXALDN-UHFFFAOYSA-N -2 3 369.773 1.974 20 0 FDADHL O=C([O-])[C@H]1CCCN(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000911233439 858383001 /nfs/dbraw/zinc/38/30/01/858383001.db2.gz CFYMSZKQGXVNQT-INIZCTEOSA-N -2 3 374.437 1.610 20 0 FDADHL CN(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761234682 864485287 /nfs/dbraw/zinc/48/52/87/864485287.db2.gz OXKMIOXVJPWQDP-UHFFFAOYSA-N -2 3 357.251 1.049 20 0 FDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCCNC2=O)c1 ZINC000761286906 864869181 /nfs/dbraw/zinc/86/91/81/864869181.db2.gz UKGUIISUTWYWRK-QMMMGPOBSA-N -2 3 367.210 1.249 20 0 FDADHL COc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1OCC(=O)[O-] ZINC000030058214 869424647 /nfs/dbraw/zinc/42/46/47/869424647.db2.gz FLFYDOZYWRRWDS-RIYZIHGNSA-N -2 3 353.330 1.969 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(F)c1 ZINC000672431015 893540674 /nfs/dbraw/zinc/54/06/74/893540674.db2.gz PTTPQXHKBPEUNZ-NSHDSACASA-N -2 3 372.390 1.663 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1(C(=O)[O-])CCOCC1 ZINC000903536827 896674425 /nfs/dbraw/zinc/67/44/25/896674425.db2.gz JNNFJOHBDIKLHI-QMMMGPOBSA-N -2 3 353.849 1.950 20 0 FDADHL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1ncccc1[O-] ZINC000996143716 903207306 /nfs/dbraw/zinc/20/73/06/903207306.db2.gz GASLRRFACYQKIL-WOPDTQHZSA-N -2 3 354.366 1.063 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c(F)c1 ZINC000765134232 906407625 /nfs/dbraw/zinc/40/76/25/906407625.db2.gz FOVSQUYTQDGNSS-UHFFFAOYSA-N -2 3 368.371 1.834 20 0 FDADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000788139840 932570821 /nfs/dbraw/zinc/57/08/21/932570821.db2.gz PWKVFHCJJGQCOD-SNVBAGLBSA-N -2 3 350.396 1.756 20 0 FDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C/C=C/C(=O)[O-] ZINC000788446004 932700791 /nfs/dbraw/zinc/70/07/91/932700791.db2.gz IIOCUWAADJJORD-NSCUHMNNSA-N -2 3 368.180 1.516 20 0 FDADHL O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000790350478 933478403 /nfs/dbraw/zinc/47/84/03/933478403.db2.gz HCQOFGAQBSFYKQ-UHFFFAOYSA-N -2 3 371.374 1.108 20 0 FDADHL O=C(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc([O-])cc1 ZINC000812279147 941190728 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FDADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821841733 945881984 /nfs/dbraw/zinc/88/19/84/945881984.db2.gz MXUMPFMFPCOLLA-UHFFFAOYSA-N -2 3 368.400 1.141 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822194211 945976921 /nfs/dbraw/zinc/97/69/21/945976921.db2.gz NIZYISYUJPSUAX-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822194211 945976930 /nfs/dbraw/zinc/97/69/30/945976930.db2.gz NIZYISYUJPSUAX-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC000825038427 947054909 /nfs/dbraw/zinc/05/49/09/947054909.db2.gz BHOZJGWTYRBWOX-UHFFFAOYSA-N -2 3 361.387 1.292 20 0 FDADHL CC1(COc2ccc(C(=O)NCCCCP(=O)([O-])[O-])cc2)COC1 ZINC001196043380 971423075 /nfs/dbraw/zinc/42/30/75/971423075.db2.gz DNPBUGVRJPJECP-UHFFFAOYSA-N -2 3 357.343 1.790 20 0 FDADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844785318 948385971 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FDADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000612056030 554727814 /nfs/dbraw/zinc/72/78/14/554727814.db2.gz HVCPSGJOIWKCEN-UHFFFAOYSA-N -3 3 372.424 1.573 20 0 FDADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N-]S(C)(=O)=O)c1 ZINC000612056030 554727815 /nfs/dbraw/zinc/72/78/15/554727815.db2.gz HVCPSGJOIWKCEN-UHFFFAOYSA-N -2 3 372.424 1.573 20 0 FDADHL C[C@H]1[C@H](C)N(C(=O)c2ncccc2[O-])CCN1C(=O)c1ncccc1[O-] ZINC000620744542 555977622 /nfs/dbraw/zinc/97/76/22/555977622.db2.gz KNLGFINFXAYXMG-RYUDHWBXSA-N -2 3 356.382 1.263 20 0 FDADHL O=C([O-])[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000621584675 556115725 /nfs/dbraw/zinc/11/57/25/556115725.db2.gz DZSRSQMZBUARQP-ZDUSSCGKSA-N -2 3 360.457 1.176 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1)C(=O)[O-] ZINC000629295971 557755324 /nfs/dbraw/zinc/75/53/24/557755324.db2.gz PQBOONCQYMFOEC-MJBXVCDLSA-N -2 3 363.407 1.047 20 0 FDADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-])C1CC1 ZINC000629302831 557757597 /nfs/dbraw/zinc/75/75/97/557757597.db2.gz AVTYQXVPHLCZHO-QWRGUYRKSA-N -2 3 363.382 1.820 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCO2)c(Cl)cc1F ZINC000630421817 557907962 /nfs/dbraw/zinc/90/79/62/557907962.db2.gz IIYKAWFQTWNTMM-PWSUYJOCSA-N -2 3 351.783 1.698 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCO1 ZINC000630422153 557908128 /nfs/dbraw/zinc/90/81/28/557908128.db2.gz KNAHWTJGJJZJFM-GXSJLCMTSA-N -2 3 371.308 1.755 20 0 FDADHL C(N=c1[n-]nc(C2CCOCC2)s1)c1nc(C2CCOCC2)n[n-]1 ZINC000631459177 558010078 /nfs/dbraw/zinc/01/00/78/558010078.db2.gz AFPXKUWEIKHVSR-UHFFFAOYSA-N -2 3 350.448 1.478 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c(F)c1 ZINC000632631077 558193558 /nfs/dbraw/zinc/19/35/58/558193558.db2.gz UPFDCIRMSDCLFC-BXKDBHETSA-N -2 3 350.437 1.664 20 0 FDADHL O=C([O-])CC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC000521435868 568016132 /nfs/dbraw/zinc/01/61/32/568016132.db2.gz 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COCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000737022005 599029402 /nfs/dbraw/zinc/02/94/02/599029402.db2.gz HNMSLYPIFICONR-UHFFFAOYSA-N -2 3 366.428 1.579 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000735550999 599153128 /nfs/dbraw/zinc/15/31/28/599153128.db2.gz OMWPNIQYVUCOCI-JTQLQIEISA-N -2 3 351.432 1.495 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000735550999 599153130 /nfs/dbraw/zinc/15/31/30/599153130.db2.gz OMWPNIQYVUCOCI-JTQLQIEISA-N -2 3 351.432 1.495 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC000735974240 599218638 /nfs/dbraw/zinc/21/86/38/599218638.db2.gz GCRODSISEOOGRJ-LBPRGKRZSA-N -2 3 374.426 1.266 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC000735974240 599218641 /nfs/dbraw/zinc/21/86/41/599218641.db2.gz GCRODSISEOOGRJ-LBPRGKRZSA-N -2 3 374.426 1.266 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])s1 ZINC000261766421 596946868 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O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000738139117 598417289 /nfs/dbraw/zinc/41/72/89/598417289.db2.gz KWMZWJUEFKQEMO-UHFFFAOYSA-N -2 3 363.786 1.639 20 0 FDADHL COc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737116941 598490976 /nfs/dbraw/zinc/49/09/76/598490976.db2.gz UTMSJNMEKJJJLN-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736883056 598512647 /nfs/dbraw/zinc/51/26/47/598512647.db2.gz QXVYHZHYZKUJTQ-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736883056 598512648 /nfs/dbraw/zinc/51/26/48/598512648.db2.gz QXVYHZHYZKUJTQ-UHFFFAOYSA-N -2 3 358.383 1.027 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)c[nH]1 ZINC000737497385 598548377 /nfs/dbraw/zinc/54/83/77/598548377.db2.gz BFABQRHCPHUNHH-UHFFFAOYSA-N -2 3 371.329 1.300 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c[nH]1 ZINC000737497385 598548379 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FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737236980 598785586 /nfs/dbraw/zinc/78/55/86/598785586.db2.gz XGXUMLAVADZUOI-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000319748740 599777844 /nfs/dbraw/zinc/77/78/44/599777844.db2.gz IWOBSCFMPROSKU-QMMMGPOBSA-N -2 3 356.322 1.140 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826211661 607397734 /nfs/dbraw/zinc/39/77/34/607397734.db2.gz ORFAYKFLHXZOJY-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826211661 607397736 /nfs/dbraw/zinc/39/77/36/607397736.db2.gz ORFAYKFLHXZOJY-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000376483103 599923821 /nfs/dbraw/zinc/92/38/21/599923821.db2.gz GCMGEKCCHSNQQE-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL CCOc1cc(C(=O)Nc2n[n-]c(SC)n2)ccc1OCC(=O)[O-] ZINC000737192696 599989923 /nfs/dbraw/zinc/98/99/23/599989923.db2.gz IHJHWVQBZTUFAU-UHFFFAOYSA-N -2 3 352.372 1.641 20 0 FDADHL Cc1cccc(C[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000738711596 600104334 /nfs/dbraw/zinc/10/43/34/600104334.db2.gz MCOJAOAAQPDJRJ-CQSZACIVSA-N -2 3 366.373 1.552 20 0 FDADHL Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1 ZINC000738563088 600173351 /nfs/dbraw/zinc/17/33/51/600173351.db2.gz YBUVNBVOSDBAQZ-OAHLLOKOSA-N -2 3 367.361 1.869 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000822154768 607441302 /nfs/dbraw/zinc/44/13/02/607441302.db2.gz YYFCMQPZOSFGMG-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000822154768 607441304 /nfs/dbraw/zinc/44/13/04/607441304.db2.gz YYFCMQPZOSFGMG-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL O=C([O-])c1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740244815 600452526 /nfs/dbraw/zinc/45/25/26/600452526.db2.gz LGANAKBAUYTWFW-ZDUSSCGKSA-N -2 3 355.350 1.729 20 0 FDADHL COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1C(=O)[O-] ZINC000831431099 600669594 /nfs/dbraw/zinc/66/95/94/600669594.db2.gz VGCNQGVNEVZGDT-DHDCSXOGSA-N -2 3 366.329 1.894 20 0 FDADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000262408052 600741929 /nfs/dbraw/zinc/74/19/29/600741929.db2.gz LCQIOFDQYVYPAA-UHFFFAOYSA-N -2 3 363.233 1.766 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CC(=O)[O-])ccc1F ZINC000736262430 600779131 /nfs/dbraw/zinc/77/91/31/600779131.db2.gz GYNRLFGEIKYBSG-UHFFFAOYSA-N -2 3 374.434 1.886 20 0 FDADHL CCC(CC)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000828841985 600926363 /nfs/dbraw/zinc/92/63/63/600926363.db2.gz JZJHCJWJGIPHTK-UHFFFAOYSA-N -2 3 372.418 1.640 20 0 FDADHL CCC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000829202474 601211909 /nfs/dbraw/zinc/21/19/09/601211909.db2.gz OGMFRLHLHXGOGV-ZDUSSCGKSA-N -2 3 365.429 1.465 20 0 FDADHL CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)no1 ZINC000830315581 601235113 /nfs/dbraw/zinc/23/51/13/601235113.db2.gz ZCJVFOVANDLJAE-UHFFFAOYSA-N -2 3 361.326 1.129 20 0 FDADHL CCC1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)OC)CC1 ZINC000829113095 601261500 /nfs/dbraw/zinc/26/15/00/601261500.db2.gz UFXZVTUOAMGTBY-UHFFFAOYSA-N -2 3 359.400 1.768 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)o1 ZINC000262771741 601284216 /nfs/dbraw/zinc/28/42/16/601284216.db2.gz MMRURGLPRXMYSH-UHFFFAOYSA-N -2 3 366.395 1.766 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC000262764073 601286742 /nfs/dbraw/zinc/28/67/42/601286742.db2.gz GDOLGWRBIKQYAL-LBPRGKRZSA-N -2 3 364.379 1.325 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)[O-])c1Cl ZINC000820646005 601355997 /nfs/dbraw/zinc/35/59/97/601355997.db2.gz TXTKRWWOAUOIKZ-YFKPBYRVSA-N -2 3 356.183 1.531 20 0 FDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000828638159 601457031 /nfs/dbraw/zinc/45/70/31/601457031.db2.gz HAMFHVRRBFSGAZ-INIZCTEOSA-N -2 3 374.434 1.886 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1F ZINC000826980713 601521157 /nfs/dbraw/zinc/52/11/57/601521157.db2.gz UHLUEVIQEVQPHH-CYBMUJFWSA-N -2 3 372.418 1.496 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)s1 ZINC000776576144 601613860 /nfs/dbraw/zinc/61/38/60/601613860.db2.gz WCNSRNRMXWONCE-QMMMGPOBSA-N -2 3 363.413 1.075 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000821160110 601744051 /nfs/dbraw/zinc/74/40/51/601744051.db2.gz ZFLBWENHQRRNNQ-OAHLLOKOSA-N -2 3 370.409 1.539 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CC[C@](C)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000831480233 601947459 /nfs/dbraw/zinc/94/74/59/601947459.db2.gz ZWZKJZNCVZNKQB-INIZCTEOSA-N -2 3 365.411 1.376 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000833323408 601990303 /nfs/dbraw/zinc/99/03/03/601990303.db2.gz QCWJITWGVPYLIB-SECBINFHSA-N -2 3 371.802 1.583 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1F ZINC000767215340 602028982 /nfs/dbraw/zinc/02/89/82/602028982.db2.gz WTSFPCGNSVOBAS-MRXNPFEDSA-N -2 3 372.418 1.449 20 0 FDADHL CC(C)N(CCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000738839959 602062446 /nfs/dbraw/zinc/06/24/46/602062446.db2.gz RQGDYPRWVBNJKK-UHFFFAOYSA-N -2 3 363.414 1.455 20 0 FDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[S@@](C)=O ZINC000317230767 602225838 /nfs/dbraw/zinc/22/58/38/602225838.db2.gz UYAIVJCHLFXQII-WODJRTHDSA-N -2 3 355.384 1.098 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c([O-])c1 ZINC000740107697 602256811 /nfs/dbraw/zinc/25/68/11/602256811.db2.gz TUMBVKCDUYCFJT-ZDUSSCGKSA-N -2 3 363.414 1.327 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c(=O)[n-]1 ZINC000740217003 602408602 /nfs/dbraw/zinc/40/86/02/602408602.db2.gz IDRZQYHMUPTVCX-JTQLQIEISA-N -2 3 350.419 1.626 20 0 FDADHL O=C([O-])NC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000832415560 602807870 /nfs/dbraw/zinc/80/78/70/602807870.db2.gz OEFWIQJXXCSQIP-AWEZNQCLSA-N -2 3 352.354 1.857 20 0 FDADHL O=C([O-])N(CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000740488915 602880282 /nfs/dbraw/zinc/88/02/82/602880282.db2.gz SEDOOGWTRYCCBY-UHFFFAOYSA-N -2 3 354.215 1.809 20 0 FDADHL Cc1nc(C)c(CCC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c(=O)[n-]1 ZINC000830715473 603567732 /nfs/dbraw/zinc/56/77/32/603567732.db2.gz DYYKWGMQHQQTBF-CQSZACIVSA-N -2 3 352.435 1.872 20 0 FDADHL COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000829277749 603980812 /nfs/dbraw/zinc/98/08/12/603980812.db2.gz WYGIORBXMLPPTC-KGLIPLIRSA-N -2 3 361.398 1.168 20 0 FDADHL Cc1nc(C)c(CC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(=O)[n-]1 ZINC000830715592 604448673 /nfs/dbraw/zinc/44/86/73/604448673.db2.gz GVLRKEUXRKDVAH-JTQLQIEISA-N -2 3 358.398 1.987 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCCN2C(=O)[O-])c(C)o1 ZINC000828580177 604657847 /nfs/dbraw/zinc/65/78/47/604657847.db2.gz WNHPSEIAEJGMAG-SNVBAGLBSA-N -2 3 360.388 1.185 20 0 FDADHL CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391461742 604903995 /nfs/dbraw/zinc/90/39/95/604903995.db2.gz CZADZANWIDVFHM-UHFFFAOYSA-N -2 3 351.371 1.740 20 0 FDADHL O=C([O-])c1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000833309518 604930829 /nfs/dbraw/zinc/93/08/29/604930829.db2.gz JIGWGJDSRMEUMZ-UHFFFAOYSA-N -2 3 372.352 1.828 20 0 FDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000764914222 605012452 /nfs/dbraw/zinc/01/24/52/605012452.db2.gz BINUVYBAQSOENM-ZETCQYMHSA-N -2 3 350.780 1.053 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000833649272 605012609 /nfs/dbraw/zinc/01/26/09/605012609.db2.gz LCNRCEYPHQQIIM-MRVPVSSYSA-N -2 3 351.327 1.283 20 0 FDADHL CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000833439642 605028311 /nfs/dbraw/zinc/02/83/11/605028311.db2.gz YXOKBYZPZQFMPG-NSHDSACASA-N -2 3 374.415 1.559 20 0 FDADHL COc1cc(NCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc(OC)c1 ZINC000833729281 605075787 /nfs/dbraw/zinc/07/57/87/605075787.db2.gz JATHWHVODGDCDE-UHFFFAOYSA-N -2 3 370.383 1.385 20 0 FDADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000833741186 605125658 /nfs/dbraw/zinc/12/56/58/605125658.db2.gz AYUOMBHWLPWKKN-UHFFFAOYSA-N -3 3 366.376 1.439 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825502223 605181288 /nfs/dbraw/zinc/18/12/88/605181288.db2.gz HJFJOBMPYVPMBI-BDAKNGLRSA-N -2 3 350.828 1.130 20 0 FDADHL O=C([O-])N1CCC(OC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000834282153 605414645 /nfs/dbraw/zinc/41/46/45/605414645.db2.gz PIZOQGPDXYBLTQ-CQSZACIVSA-N -2 3 362.382 1.682 20 0 FDADHL O=C([O-])Nc1cccc(CC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000834266779 605834097 /nfs/dbraw/zinc/83/40/97/605834097.db2.gz JWHXPGBXKJMWQL-UHFFFAOYSA-N -2 3 357.366 1.571 20 0 FDADHL C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000833826971 606074504 /nfs/dbraw/zinc/07/45/04/606074504.db2.gz UTIXCSKVQDQYJB-RDTXWAMCSA-N -2 3 363.414 1.455 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822194080 606177593 /nfs/dbraw/zinc/17/75/93/606177593.db2.gz HXRZBTMNQHHVKB-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000822194080 606177594 /nfs/dbraw/zinc/17/75/94/606177594.db2.gz HXRZBTMNQHHVKB-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823588732 606206827 /nfs/dbraw/zinc/20/68/27/606206827.db2.gz AIZMOWSJYXSPNO-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823588732 606206829 /nfs/dbraw/zinc/20/68/29/606206829.db2.gz AIZMOWSJYXSPNO-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000822431803 606210443 /nfs/dbraw/zinc/21/04/43/606210443.db2.gz KLRREHRHHCVPOY-UHFFFAOYSA-N -2 3 354.392 1.880 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000822431803 606210445 /nfs/dbraw/zinc/21/04/45/606210445.db2.gz KLRREHRHHCVPOY-UHFFFAOYSA-N -2 3 354.392 1.880 20 0 FDADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2n1C ZINC000822459785 606359691 /nfs/dbraw/zinc/35/96/91/606359691.db2.gz WGSJZQILKRJAGD-UHFFFAOYSA-N -2 3 370.398 1.258 20 0 FDADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2n1C ZINC000822459785 606359692 /nfs/dbraw/zinc/35/96/92/606359692.db2.gz WGSJZQILKRJAGD-UHFFFAOYSA-N -2 3 370.398 1.258 20 0 FDADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820108742 606605978 /nfs/dbraw/zinc/60/59/78/606605978.db2.gz QMHJQMSFVXUHKR-UHFFFAOYSA-N -2 3 365.444 1.718 20 0 FDADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820108742 606605980 /nfs/dbraw/zinc/60/59/80/606605980.db2.gz QMHJQMSFVXUHKR-UHFFFAOYSA-N -2 3 365.444 1.718 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820051032 606611893 /nfs/dbraw/zinc/61/18/93/606611893.db2.gz JFWKWVUXSOPQOV-UHFFFAOYSA-N -2 3 351.432 1.744 20 0 FDADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820051032 606611894 /nfs/dbraw/zinc/61/18/94/606611894.db2.gz JFWKWVUXSOPQOV-UHFFFAOYSA-N -2 3 351.432 1.744 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000822622287 606709679 /nfs/dbraw/zinc/70/96/79/606709679.db2.gz AUOWPIRGEYATNS-UHFFFAOYSA-N -2 3 359.415 1.280 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000822622358 606709767 /nfs/dbraw/zinc/70/97/67/606709767.db2.gz BVYZHTSPLPOUGA-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000821589463 606751351 /nfs/dbraw/zinc/75/13/51/606751351.db2.gz OGBSGZKYRYNYJY-UHFFFAOYSA-N -2 3 362.390 1.873 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCSC1 ZINC000823284845 606800519 /nfs/dbraw/zinc/80/05/19/606800519.db2.gz KTBVFTJWLFNQEP-SSDOTTSWSA-N -2 3 373.847 1.078 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCSC1 ZINC000823284845 606800521 /nfs/dbraw/zinc/80/05/21/606800521.db2.gz KTBVFTJWLFNQEP-SSDOTTSWSA-N -2 3 373.847 1.078 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820944104 606839428 /nfs/dbraw/zinc/83/94/28/606839428.db2.gz IBEUEMIDHVYQIL-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820944104 606839430 /nfs/dbraw/zinc/83/94/30/606839430.db2.gz IBEUEMIDHVYQIL-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL O=S(=O)([N-]CCc1nccs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578925 606889666 /nfs/dbraw/zinc/88/96/66/606889666.db2.gz WOWZKEXPLKIOJQ-UHFFFAOYSA-N -2 3 372.382 1.122 20 0 FDADHL O=C([O-])Cn1c(C=Cc2cccc(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000823387206 606978032 /nfs/dbraw/zinc/97/80/32/606978032.db2.gz FLHUMKXISVAYHT-HJWRWDBZSA-N -2 3 374.360 1.832 20 0 FDADHL O=C([O-])Cn1c(C=Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000823387206 606978034 /nfs/dbraw/zinc/97/80/34/606978034.db2.gz FLHUMKXISVAYHT-HJWRWDBZSA-N -2 3 374.360 1.832 20 0 FDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(Cl)c1F ZINC000823589061 607027186 /nfs/dbraw/zinc/02/71/86/607027186.db2.gz KUZHUCGLFGYENX-UHFFFAOYSA-N -2 3 360.783 1.917 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000821027272 607095603 /nfs/dbraw/zinc/09/56/03/607095603.db2.gz NSUOSRXBYIRAQU-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821027272 607095606 /nfs/dbraw/zinc/09/56/06/607095606.db2.gz NSUOSRXBYIRAQU-UHFFFAOYSA-N -2 3 363.443 1.783 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000820542069 607110418 /nfs/dbraw/zinc/11/04/18/607110418.db2.gz LLLRSANXMCKSDR-NSHDSACASA-N -2 3 359.386 1.395 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000820542069 607110419 /nfs/dbraw/zinc/11/04/19/607110419.db2.gz LLLRSANXMCKSDR-NSHDSACASA-N -2 3 359.386 1.395 20 0 FDADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821698709 607155360 /nfs/dbraw/zinc/15/53/60/607155360.db2.gz VOVADKGWPDWJII-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821698709 607155361 /nfs/dbraw/zinc/15/53/61/607155361.db2.gz VOVADKGWPDWJII-UHFFFAOYSA-N -2 3 367.337 1.954 20 0 FDADHL O=C([O-])c1ccc(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823387837 607206908 /nfs/dbraw/zinc/20/69/08/607206908.db2.gz ZTXLKVWUNGCWCW-UHFFFAOYSA-N -2 3 373.394 1.185 20 0 FDADHL O=C([O-])c1ccc(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823387837 607206909 /nfs/dbraw/zinc/20/69/09/607206909.db2.gz ZTXLKVWUNGCWCW-UHFFFAOYSA-N -2 3 373.394 1.185 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]c1C(F)(F)F ZINC000826236047 607844032 /nfs/dbraw/zinc/84/40/32/607844032.db2.gz XGALADVRCYDYRT-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000826279257 608011672 /nfs/dbraw/zinc/01/16/72/608011672.db2.gz KUAOWZYNJQCKPP-UHFFFAOYSA-N -2 3 365.415 1.241 20 0 FDADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492367 608054475 /nfs/dbraw/zinc/05/44/75/608054475.db2.gz HESJVZXSPMJCPS-UHFFFAOYSA-N -2 3 371.304 1.476 20 0 FDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825074068 608144613 /nfs/dbraw/zinc/14/46/13/608144613.db2.gz DRXQLICHXBDVME-SNVBAGLBSA-N -2 3 369.472 1.344 20 0 FDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825074068 608144614 /nfs/dbraw/zinc/14/46/14/608144614.db2.gz DRXQLICHXBDVME-SNVBAGLBSA-N -2 3 369.472 1.344 20 0 FDADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826405923 608194929 /nfs/dbraw/zinc/19/49/29/608194929.db2.gz ZNPVJNZTJILPHG-UHFFFAOYSA-N -2 3 363.321 1.404 20 0 FDADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826405923 608194930 /nfs/dbraw/zinc/19/49/30/608194930.db2.gz ZNPVJNZTJILPHG-UHFFFAOYSA-N -2 3 363.321 1.404 20 0 FDADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000824272451 608306571 /nfs/dbraw/zinc/30/65/71/608306571.db2.gz XXVFQTCOQGHSGR-UHFFFAOYSA-N -2 3 363.403 1.425 20 0 FDADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2s1 ZINC000826328892 609276700 /nfs/dbraw/zinc/27/67/00/609276700.db2.gz IRTLXMADVLTIIV-UHFFFAOYSA-N -2 3 373.423 1.981 20 0 FDADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2s1 ZINC000826328892 609276701 /nfs/dbraw/zinc/27/67/01/609276701.db2.gz IRTLXMADVLTIIV-UHFFFAOYSA-N -2 3 373.423 1.981 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826223502 609386397 /nfs/dbraw/zinc/38/63/97/609386397.db2.gz ORPUSXPUMGWRBA-UHFFFAOYSA-N -2 3 359.367 1.348 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826223502 609386400 /nfs/dbraw/zinc/38/64/00/609386400.db2.gz ORPUSXPUMGWRBA-UHFFFAOYSA-N -2 3 359.367 1.348 20 0 FDADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826181350 609530677 /nfs/dbraw/zinc/53/06/77/609530677.db2.gz VVTRZDWRACKIRT-UHFFFAOYSA-N -2 3 365.346 1.521 20 0 FDADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826181350 609530679 /nfs/dbraw/zinc/53/06/79/609530679.db2.gz VVTRZDWRACKIRT-UHFFFAOYSA-N -2 3 365.346 1.521 20 0 FDADHL COC(=O)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273722799 674566112 /nfs/dbraw/zinc/56/61/12/674566112.db2.gz QRAGIFWKCCNOHR-UHFFFAOYSA-N -2 3 372.218 1.050 20 0 FDADHL CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278091326 675091664 /nfs/dbraw/zinc/09/16/64/675091664.db2.gz HFBHKZRTTVZNBF-UHFFFAOYSA-N -2 3 359.379 1.426 20 0 FDADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000278223183 675107170 /nfs/dbraw/zinc/10/71/70/675107170.db2.gz UOARYKPTDBVSOR-NSHDSACASA-N -2 3 365.354 1.348 20 0 FDADHL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)[C@@H]3CCCOC3)ccc12 ZINC000278232986 675108963 /nfs/dbraw/zinc/10/89/63/675108963.db2.gz KNUDFDIWARHFCB-SNVBAGLBSA-N -2 3 352.368 1.559 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1cccc(Br)c1)c1ccccn1 ZINC000007386104 670546441 /nfs/dbraw/zinc/54/64/41/670546441.db2.gz GRVOKWXJXUWWGN-UHFFFAOYSA-N -2 3 356.201 1.467 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)C2CCCC2)o1 ZINC000025854253 670744976 /nfs/dbraw/zinc/74/49/76/670744976.db2.gz SWIKHSMFDHMXOH-UHFFFAOYSA-N -2 3 357.432 1.308 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000278624985 675163087 /nfs/dbraw/zinc/16/30/87/675163087.db2.gz HOBVUOUPGDFCTA-ZCFIWIBFSA-N -2 3 355.821 1.638 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000262332543 672771859 /nfs/dbraw/zinc/77/18/59/672771859.db2.gz SPPBIFYWWFMVMQ-SNVBAGLBSA-N -2 3 361.725 1.473 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1Cl ZINC000290221222 676191714 /nfs/dbraw/zinc/19/17/14/676191714.db2.gz WLXFAOFWGQXJAM-UHFFFAOYSA-N -2 3 352.199 1.499 20 0 FDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)s1 ZINC000290468879 676207912 /nfs/dbraw/zinc/20/79/12/676207912.db2.gz FBPJUYTUJKNSRI-UHFFFAOYSA-N -2 3 371.440 1.215 20 0 FDADHL C[C@@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nnn[n-]1 ZINC000279805792 675349600 /nfs/dbraw/zinc/34/96/00/675349600.db2.gz TUZKJJWRWBRZLP-VIFPVBQESA-N -2 3 361.793 1.620 20 0 FDADHL C[C@@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nn[n-]n1 ZINC000279805792 675349602 /nfs/dbraw/zinc/34/96/02/675349602.db2.gz TUZKJJWRWBRZLP-VIFPVBQESA-N -2 3 361.793 1.620 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1C(=O)[O-] ZINC000362379437 676916667 /nfs/dbraw/zinc/91/66/67/676916667.db2.gz IIVODABRGXVBNO-UHFFFAOYSA-N -2 3 361.383 1.792 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)[n-]1 ZINC000414455379 679352378 /nfs/dbraw/zinc/35/23/78/679352378.db2.gz PSAGZQABBNFFIQ-UHFFFAOYSA-N -2 3 366.399 1.160 20 0 FDADHL COC(=O)c1sc2[n-]c(CSc3n[nH]c(=O)[n-]3)nc(=O)c2c1C ZINC000446056457 682473639 /nfs/dbraw/zinc/47/36/39/682473639.db2.gz VWHYDHQNHNMTGM-UHFFFAOYSA-N -2 3 353.385 1.196 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2csc3ccccc32)[n-]1 ZINC000460536473 684534341 /nfs/dbraw/zinc/53/43/41/684534341.db2.gz YPRWZVPCTPTQNB-UHFFFAOYSA-N -2 3 352.397 1.536 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccccc1OC ZINC000484558849 686604784 /nfs/dbraw/zinc/60/47/84/686604784.db2.gz RDVYFVFJIHYJGE-UHFFFAOYSA-N -2 3 368.367 1.397 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000504985119 688469583 /nfs/dbraw/zinc/46/95/83/688469583.db2.gz CTMIKUNIPAOYJZ-UHFFFAOYSA-N -3 3 365.363 1.827 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC000507581969 688651285 /nfs/dbraw/zinc/65/12/85/688651285.db2.gz VGZALCIOHMNTCP-UHFFFAOYSA-N -3 3 365.363 1.957 20 0 FDADHL O=C([O-])[C@]1(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCc2ccccc21 ZINC000683920694 774269153 /nfs/dbraw/zinc/26/91/53/774269153.db2.gz HCYKTIJJQQOKMI-IBGZPJMESA-N -2 3 365.345 1.618 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])[C@H]1CCOC1 ZINC000656618292 776996760 /nfs/dbraw/zinc/99/67/60/776996760.db2.gz CFJRGRNVCRODQV-TVQRCGJNSA-N -2 3 363.819 1.831 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1OC ZINC000663095239 805421971 /nfs/dbraw/zinc/42/19/71/805421971.db2.gz XVNMALWBJZCFCQ-MRXNPFEDSA-N -2 3 370.427 1.896 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)oc1C(=O)[O-] ZINC000663423191 806986739 /nfs/dbraw/zinc/98/67/39/806986739.db2.gz RHZCGWRRISWASP-ZDUSSCGKSA-N -2 3 353.396 1.731 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)oc1C(=O)[O-] ZINC000663421819 806989484 /nfs/dbraw/zinc/98/94/84/806989484.db2.gz BLQIHRVSOATZGD-UHFFFAOYSA-N -2 3 357.388 1.704 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2c(C)nn(C)c2C)oc1C(=O)[O-] ZINC000663424130 806992192 /nfs/dbraw/zinc/99/21/92/806992192.db2.gz MQVOAVHXDJWBDP-VIFPVBQESA-N -2 3 355.416 1.546 20 0 FDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)c1 ZINC000436896419 816786302 /nfs/dbraw/zinc/78/63/02/816786302.db2.gz YOXORKJMZRIJMO-UHFFFAOYSA-N -3 3 374.378 1.531 20 0 FDADHL O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC000985994003 830261592 /nfs/dbraw/zinc/26/15/92/830261592.db2.gz KUQRNKSMVRVLHQ-OLZOCXBDSA-N -2 3 368.393 1.122 20 0 FDADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000899945764 846921380 /nfs/dbraw/zinc/92/13/80/846921380.db2.gz URJRPLNVGYBUBO-LDYMZIIASA-N -2 3 351.783 1.637 20 0 FDADHL O=C([O-])C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000899945763 846921564 /nfs/dbraw/zinc/92/15/64/846921564.db2.gz URJRPLNVGYBUBO-KWQFWETISA-N -2 3 351.783 1.637 20 0 FDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-] ZINC000905988229 852480171 /nfs/dbraw/zinc/48/01/71/852480171.db2.gz VAOOUZQBFMNEQG-SECBINFHSA-N -2 3 352.865 1.918 20 0 FDADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000906001180 852497984 /nfs/dbraw/zinc/49/79/84/852497984.db2.gz WFWBDFWKQCENFQ-RKDXNWHRSA-N -2 3 350.318 1.798 20 0 FDADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000906005506 852505559 /nfs/dbraw/zinc/50/55/59/852505559.db2.gz RZIXIFVVCRGQKM-VIFPVBQESA-N -2 3 374.615 1.945 20 0 FDADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)CCO1 ZINC000906009196 852509889 /nfs/dbraw/zinc/50/98/89/852509889.db2.gz KHMPWCPBUFALKB-AMIZOPFISA-N -2 3 351.783 1.780 20 0 FDADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCO1 ZINC000906010382 852536601 /nfs/dbraw/zinc/53/66/01/852536601.db2.gz NZMTXSNITZDUQY-CPFSXVBKSA-N -2 3 353.318 1.405 20 0 FDADHL CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1C ZINC000906875556 853426926 /nfs/dbraw/zinc/42/69/26/853426926.db2.gz QUVUPVYZMLXQSX-YPMHNXCESA-N -2 3 356.444 1.584 20 0 FDADHL C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906985601 853639470 /nfs/dbraw/zinc/63/94/70/853639470.db2.gz DFWWUEZSKLCLRN-YPMHNXCESA-N -2 3 354.428 1.338 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[n-]1 ZINC000793965229 938345832 /nfs/dbraw/zinc/34/58/32/938345832.db2.gz VJHLOYWUCGEFHF-QMMMGPOBSA-N -2 3 350.297 1.228 20 0 FDADHL CCOC(=O)c1nc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c[n-]1 ZINC000793965229 938345837 /nfs/dbraw/zinc/34/58/37/938345837.db2.gz VJHLOYWUCGEFHF-QMMMGPOBSA-N -2 3 350.297 1.228 20 0 FDADHL NC(=O)c1cc([O-])cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195244795 970787808 /nfs/dbraw/zinc/78/78/08/970787808.db2.gz KSVQLXAVLJGBNT-UHFFFAOYSA-N -3 3 372.305 1.268 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc3ccnn32)c(F)cc1F ZINC001195257802 970798844 /nfs/dbraw/zinc/79/88/44/970798844.db2.gz IMWBHNJKMCFRET-UHFFFAOYSA-N -2 3 367.333 1.789 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1F ZINC000817872527 943055168 /nfs/dbraw/zinc/05/51/68/943055168.db2.gz IFHUVJQAOUQXQP-ONGXEEELSA-N -2 3 358.391 1.059 20 0 FDADHL COC(=O)Cc1nc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[n-]1 ZINC000820797401 944216197 /nfs/dbraw/zinc/21/61/97/944216197.db2.gz MNNULWBIJRRUFJ-SREVYHEPSA-N -2 3 356.791 1.586 20 0 FDADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000821431029 945695785 /nfs/dbraw/zinc/69/57/85/945695785.db2.gz KFJUZLFAUCCYQO-UHFFFAOYSA-N -2 3 360.399 1.770 20 0 FDADHL Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822414805 946083211 /nfs/dbraw/zinc/08/32/11/946083211.db2.gz VDLPBWLTTNCFDV-UHFFFAOYSA-N -2 3 363.424 1.496 20 0 FDADHL Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822414805 946083220 /nfs/dbraw/zinc/08/32/20/946083220.db2.gz VDLPBWLTTNCFDV-UHFFFAOYSA-N -2 3 363.424 1.496 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000844822592 948418250 /nfs/dbraw/zinc/41/82/50/948418250.db2.gz XNJAKZWOPHVOER-GFCCVEGCSA-N -2 3 373.402 1.782 20 0 FDADHL C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844899062 948487589 /nfs/dbraw/zinc/48/75/89/948487589.db2.gz QPEWQNUSGORILH-IUCAKERBSA-N -2 3 365.354 1.135 20 0 FDADHL NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C1 ZINC000844900150 948487845 /nfs/dbraw/zinc/48/78/45/948487845.db2.gz JGRLKCPVQASLCK-IAQIWYKVSA-N -2 3 367.210 1.234 20 0 FDADHL C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001571020806 951400572 /nfs/dbraw/zinc/40/05/72/951400572.db2.gz XUADFVNOPQREEG-CMPLNLGQSA-N -2 3 366.385 1.077 20 0 FDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001589279260 953478955 /nfs/dbraw/zinc/47/89/55/953478955.db2.gz KTYYBPPARMYWMZ-RKDXNWHRSA-N -2 3 350.321 1.989 20 0 FDADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCc1cscn1 ZINC001594894953 954558949 /nfs/dbraw/zinc/55/89/49/954558949.db2.gz CFPXRGMHEHNPTA-VHSXEESVSA-N -2 3 351.350 1.282 20 0 FDADHL CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589473874 954941701 /nfs/dbraw/zinc/94/17/01/954941701.db2.gz KAYIMCRXUIBWTH-WDEREUQCSA-N -2 3 351.403 1.758 20 0 FDADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001594510436 955384326 /nfs/dbraw/zinc/38/43/26/955384326.db2.gz WUFNCHFTIBUBEX-GOSISDBHSA-N -2 3 373.365 1.878 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000818430249 955397555 /nfs/dbraw/zinc/39/75/55/955397555.db2.gz GJVVEDDFZBDKQT-UHFFFAOYSA-N -2 3 364.807 1.301 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)cc1C(=O)[O-] ZINC000042793213 957428272 /nfs/dbraw/zinc/42/82/72/957428272.db2.gz JTETZURJLTUHDX-UHFFFAOYSA-N -2 3 364.379 1.602 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])cc1F ZINC001594059504 958085045 /nfs/dbraw/zinc/08/50/45/958085045.db2.gz UTYMCDRRVYCWAH-VIFPVBQESA-N -2 3 351.371 1.999 20 0 FDADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC001594162703 958914889 /nfs/dbraw/zinc/91/48/89/958914889.db2.gz UZWQRAPWDCBAOY-BNJANLQDSA-N -2 3 364.420 1.370 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CCC(N)=O)cc1 ZINC001319150617 960923056 /nfs/dbraw/zinc/92/30/56/960923056.db2.gz GTMOISWWNRJUGY-UHFFFAOYSA-N -2 3 362.407 1.912 20 0 FDADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001573875626 961249835 /nfs/dbraw/zinc/24/98/35/961249835.db2.gz WGBIPBMSFXQKCX-SSDOTTSWSA-N -2 3 359.795 1.004 20 0 FDADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001573875626 961249861 /nfs/dbraw/zinc/24/98/61/961249861.db2.gz WGBIPBMSFXQKCX-SSDOTTSWSA-N -2 3 359.795 1.004 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC001573929370 961569165 /nfs/dbraw/zinc/56/91/65/961569165.db2.gz ZGOPKTXNBAHLOC-WDEREUQCSA-N -2 3 370.427 1.896 20 0 FDADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1nnc3ccccc3c1[O-])O2 ZINC001574564717 962030726 /nfs/dbraw/zinc/03/07/26/962030726.db2.gz MTBATZDXUPZLCJ-PNSNSFJUSA-N -2 3 357.366 1.478 20 0 FDADHL CON(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)[C@@H](C)C(=O)[O-] ZINC001574170672 962771952 /nfs/dbraw/zinc/77/19/52/962771952.db2.gz QNLJRTLFTLZMTK-ZETCQYMHSA-N -2 3 350.780 1.188 20 0 FDADHL O=S(=O)([N-]c1nnc(-c2ccco2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565602 963978771 /nfs/dbraw/zinc/97/87/71/963978771.db2.gz FGLYPLYHZCRBNN-UHFFFAOYSA-N -2 3 359.327 1.311 20 0 FDADHL O=S(=O)([N-]c1nnc(-c2ccco2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565602 963978773 /nfs/dbraw/zinc/97/87/73/963978773.db2.gz FGLYPLYHZCRBNN-UHFFFAOYSA-N -2 3 359.327 1.311 20 0 FDADHL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185573620 963984821 /nfs/dbraw/zinc/98/48/21/963984821.db2.gz NQYSEYGEECOTHM-UHFFFAOYSA-N -2 3 362.371 1.080 20 0 FDADHL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185573620 963984823 /nfs/dbraw/zinc/98/48/23/963984823.db2.gz NQYSEYGEECOTHM-UHFFFAOYSA-N -2 3 362.371 1.080 20 0 FDADHL COc1cccc(N2C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])CC2=O)c1 ZINC001178634961 964331185 /nfs/dbraw/zinc/33/11/85/964331185.db2.gz AGTKPDVODHJWCN-LBPRGKRZSA-N -2 3 370.342 1.122 20 0 FDADHL O=C([N-]CCNC(=O)c1cccc([S-])c1)C(F)(F)Br ZINC001186166997 964353298 /nfs/dbraw/zinc/35/32/98/964353298.db2.gz FHXQTVFIOCJAHP-UHFFFAOYSA-N -2 3 353.188 1.809 20 0 FDADHL COC(=O)C([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)=C(C)[O-] ZINC001187078487 964999336 /nfs/dbraw/zinc/99/93/36/964999336.db2.gz YYIXYMOBBJZPBK-NSHDSACASA-N -2 3 354.211 1.543 20 0 FDADHL Cc1noc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CC2)n1 ZINC001188336115 966212874 /nfs/dbraw/zinc/21/28/74/966212874.db2.gz UKKCJPSBKDWRIC-UHFFFAOYSA-N -2 3 357.775 1.697 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000776622115 967607066 /nfs/dbraw/zinc/60/70/66/967607066.db2.gz DDWNLXIMWWXWRR-MRVPVSSYSA-N -2 3 364.807 1.301 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1F ZINC000776624754 967652165 /nfs/dbraw/zinc/65/21/65/967652165.db2.gz WOPUTZKVKANFGE-MRVPVSSYSA-N -2 3 365.354 1.531 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000853025641 967779909 /nfs/dbraw/zinc/77/99/09/967779909.db2.gz VANNDWKDDGKLEH-GFCCVEGCSA-N -2 3 373.402 1.700 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000853024924 967780119 /nfs/dbraw/zinc/78/01/19/967780119.db2.gz KTYJSLWLDWEZIV-GFCCVEGCSA-N -2 3 373.402 1.782 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCCc3ccccc32)oc1C(=O)[O-] ZINC000853231179 967931979 /nfs/dbraw/zinc/93/19/79/967931979.db2.gz JKKQZNPGUBCDAJ-QGZVFWFLSA-N -2 3 365.407 1.789 20 0 FDADHL COc1nccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1F ZINC001192689707 969234749 /nfs/dbraw/zinc/23/47/49/969234749.db2.gz HSDAIISOYOSCDB-UHFFFAOYSA-N -2 3 356.331 1.494 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)cc1 ZINC001192728643 969246410 /nfs/dbraw/zinc/24/64/10/969246410.db2.gz JTCWVMYEQPVTCQ-UHFFFAOYSA-N -2 3 364.335 1.798 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)Nc2c[nH]c(=O)[n-]c2=O)c(Cl)cc1F ZINC001193972193 969942848 /nfs/dbraw/zinc/94/28/48/969942848.db2.gz WPCBCASWZALLDW-UHFFFAOYSA-N -2 3 363.710 1.179 20 0 FDADHL O=[P@@]([O-])(O)CCCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587160 970264548 /nfs/dbraw/zinc/26/45/48/970264548.db2.gz WHRMBEHNTJUXEY-UHFFFAOYSA-N -2 3 362.266 1.337 20 0 FDADHL O=[P@]([O-])(O)CCCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587160 970264552 /nfs/dbraw/zinc/26/45/52/970264552.db2.gz WHRMBEHNTJUXEY-UHFFFAOYSA-N -2 3 362.266 1.337 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001195187618 970729733 /nfs/dbraw/zinc/72/97/33/970729733.db2.gz UROBCOKFSOSYPD-MRXNPFEDSA-N -2 3 371.361 1.849 20 0 FDADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)C2)n1 ZINC001605091947 972739863 /nfs/dbraw/zinc/73/98/63/972739863.db2.gz HBRPQKUTLUCCIV-NSHDSACASA-N -2 3 362.430 1.323 20 0 FDADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCC1CCC1 ZINC001605974863 972997721 /nfs/dbraw/zinc/99/77/21/972997721.db2.gz ZKSAREQSPKSUDG-VXGBXAGGSA-N -2 3 352.353 1.399 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198480267 973189026 /nfs/dbraw/zinc/18/90/26/973189026.db2.gz TXGHSUZAQOYKLS-UHFFFAOYSA-N -2 3 357.324 1.935 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605393468 973366852 /nfs/dbraw/zinc/36/68/52/973366852.db2.gz KOLAXUFGAUEVAQ-KGLIPLIRSA-N -2 3 370.409 1.442 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198789603 973476759 /nfs/dbraw/zinc/47/67/59/973476759.db2.gz FUJDNLAHRDSDGC-UHFFFAOYSA-N -3 3 351.336 1.678 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1 ZINC000794766304 973831383 /nfs/dbraw/zinc/83/13/83/973831383.db2.gz FFRITRYJCHWHKO-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F)C(=O)[O-] ZINC000794756460 973853018 /nfs/dbraw/zinc/85/30/18/973853018.db2.gz BPFHQWQYUZVIBR-LBPRGKRZSA-N -2 3 361.391 1.924 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1nccnc1OCC(F)(F)F ZINC001199180836 973988408 /nfs/dbraw/zinc/98/84/08/973988408.db2.gz IGGOYNIVYZLEAK-UHFFFAOYSA-N -2 3 357.225 1.105 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[C@H](O)C(F)(F)F ZINC001591904216 976300821 /nfs/dbraw/zinc/30/08/21/976300821.db2.gz VGIZPFPLEXXYAH-NAKRPEOUSA-N -2 3 361.382 1.497 20 0 FDADHL CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CC2 ZINC001592163553 977055842 /nfs/dbraw/zinc/05/58/42/977055842.db2.gz RWYRVDICIUHDCX-SNVBAGLBSA-N -2 3 370.456 1.455 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000849458068 977642425 /nfs/dbraw/zinc/64/24/25/977642425.db2.gz YWLBBHFJXYSRAA-ZJUUUORDSA-N -2 3 363.867 1.940 20 0 FDADHL C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592439988 978094264 /nfs/dbraw/zinc/09/42/64/978094264.db2.gz SKCLCYQYCRUNSI-SECBINFHSA-N -2 3 354.409 1.781 20 0 FDADHL C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592539974 978420708 /nfs/dbraw/zinc/42/07/08/978420708.db2.gz MQLLIODKKOKFHX-VIFPVBQESA-N -2 3 367.383 1.136 20 0 FDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000831083407 979026710 /nfs/dbraw/zinc/02/67/10/979026710.db2.gz XQWTUAPFOZOWMZ-MNOVXSKESA-N -2 3 365.352 1.340 20 0 FDADHL Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833027394 979070653 /nfs/dbraw/zinc/07/06/53/979070653.db2.gz RZMXRZHXAPBBRE-UHFFFAOYSA-N -2 3 363.395 1.923 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1F ZINC000776560892 979246738 /nfs/dbraw/zinc/24/67/38/979246738.db2.gz SSJKNUJVISJBRD-SSDOTTSWSA-N -2 3 351.327 1.283 20 0 FDADHL COCC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840897370 979279258 /nfs/dbraw/zinc/27/92/58/979279258.db2.gz SHXYQRQNMMVCAN-ZETCQYMHSA-N -2 3 370.221 1.691 20 0 FDADHL C[C@](CO)([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001592755616 979333431 /nfs/dbraw/zinc/33/34/31/979333431.db2.gz MHQPJWUJYZJLFJ-LLVKDONJSA-N -2 3 350.805 1.064 20 0 FDADHL CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001595326231 980536631 /nfs/dbraw/zinc/53/66/31/980536631.db2.gz HHDFHHPMQQDKPA-NSHDSACASA-N -2 3 373.353 1.178 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC000826255715 980544272 /nfs/dbraw/zinc/54/42/72/980544272.db2.gz IDVLZLJLZQLWIV-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001595570701 981475172 /nfs/dbraw/zinc/47/51/72/981475172.db2.gz IRMADGQIMBGTHA-SFYZADRCSA-N -3 3 350.418 1.399 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1C(N)=O ZINC000826293040 981743800 /nfs/dbraw/zinc/74/38/00/981743800.db2.gz YARZIEUBUDIFGU-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL CC[C@@H](C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC001594912558 982423205 /nfs/dbraw/zinc/42/32/05/982423205.db2.gz PSXKFUYDTGBVQL-QMTHXVAHSA-N -2 3 374.434 1.742 20 0 FDADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595791567 982589260 /nfs/dbraw/zinc/58/92/60/982589260.db2.gz CLAHCASSWPIQNB-QMMMGPOBSA-N -3 3 351.327 1.585 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nnn[n-]2)nc1Cl ZINC000826362270 982593204 /nfs/dbraw/zinc/59/32/04/982593204.db2.gz LJNGONAJYXQUNY-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)nc1Cl ZINC000826362270 982593212 /nfs/dbraw/zinc/59/32/12/982593212.db2.gz LJNGONAJYXQUNY-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)[O-] ZINC001595987769 983241014 /nfs/dbraw/zinc/24/10/14/983241014.db2.gz QBIGNGYTKQPKQG-QMMMGPOBSA-N -3 3 351.402 1.161 20 0 FDADHL CCOC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(C)c1C ZINC001596544293 984400047 /nfs/dbraw/zinc/40/00/47/984400047.db2.gz RUPHROUHTDJFOI-OAHLLOKOSA-N -2 3 357.428 1.692 20 0 FDADHL CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C ZINC001596593081 984533755 /nfs/dbraw/zinc/53/37/55/984533755.db2.gz WUQHDNWNQKOFCO-AWEZNQCLSA-N -2 3 361.420 1.063 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H](O)c1ccc2c(c1)OCO2 ZINC001599902580 984866444 /nfs/dbraw/zinc/86/64/44/984866444.db2.gz FWQWTOILWPIFDX-RTHLEPHNSA-N -2 3 369.351 1.107 20 0 FDADHL C[C@H]1CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC[C@H]1C(=O)[O-] ZINC001599923639 985171413 /nfs/dbraw/zinc/17/14/13/985171413.db2.gz OQIWXPGWTJNFCA-DTWKUNHWSA-N -2 3 350.321 1.989 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450636 985651496 /nfs/dbraw/zinc/65/14/96/985651496.db2.gz VYSJWUBVEKWBQL-UHFFFAOYSA-N -2 3 371.378 1.016 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450636 985651511 /nfs/dbraw/zinc/65/15/11/985651511.db2.gz VYSJWUBVEKWBQL-UHFFFAOYSA-N -2 3 371.378 1.016 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450534 985653334 /nfs/dbraw/zinc/65/33/34/985653334.db2.gz QIDWLZVJOHQCCG-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450534 985653341 /nfs/dbraw/zinc/65/33/41/985653341.db2.gz QIDWLZVJOHQCCG-UHFFFAOYSA-N -2 3 364.774 1.034 20 0 FDADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1SC ZINC001596979793 986224699 /nfs/dbraw/zinc/22/46/99/986224699.db2.gz OLUXDRYNGDZSHC-XSSZXYGBSA-N -2 3 352.459 1.029 20 0 FDADHL CCOc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)ccc1OCC(=O)[O-] ZINC001596999915 986312832 /nfs/dbraw/zinc/31/28/32/986312832.db2.gz NMTFOYQXVNMHOI-UHFFFAOYSA-N -2 3 373.365 1.509 20 0 FDADHL CCOc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001597094993 986685294 /nfs/dbraw/zinc/68/52/94/986685294.db2.gz RBJHSDSVBRJDMX-UHFFFAOYSA-N -2 3 356.425 1.761 20 0 FDADHL CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001597164122 986978800 /nfs/dbraw/zinc/97/88/00/986978800.db2.gz ZQBBNWXYIHKDJA-WCQYABFASA-N -2 3 351.384 1.341 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001597291669 987380171 /nfs/dbraw/zinc/38/01/71/987380171.db2.gz RFSUWVIECIWRCH-CYBMUJFWSA-N -2 3 357.428 1.925 20 0 FDADHL CCc1[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c(C)c1C(=O)[O-] ZINC001597367517 987542013 /nfs/dbraw/zinc/54/20/13/987542013.db2.gz UEJQRGHIJWCTQF-LLVKDONJSA-N -2 3 373.413 1.396 20 0 FDADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589741765 988015836 /nfs/dbraw/zinc/01/58/36/988015836.db2.gz GULMBYRRAQIFFA-ZETCQYMHSA-N -3 3 350.418 1.399 20 0 FDADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001589757270 988072328 /nfs/dbraw/zinc/07/23/28/988072328.db2.gz QHJCYCIXANIATR-QMMMGPOBSA-N -3 3 365.354 1.831 20 0 FDADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000825680132 988861236 /nfs/dbraw/zinc/86/12/36/988861236.db2.gz SWWWWDAWCMGSLR-CPCISQLKSA-N -2 3 373.822 1.298 20 0 FDADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC000825680132 988861250 /nfs/dbraw/zinc/86/12/50/988861250.db2.gz SWWWWDAWCMGSLR-CPCISQLKSA-N -2 3 373.822 1.298 20 0 FDADHL C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599860867 989166076 /nfs/dbraw/zinc/16/60/76/989166076.db2.gz TZAXWHMWLKPYRS-MWLCHTKSSA-N -2 3 374.415 1.512 20 0 FDADHL CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001590505548 990120332 /nfs/dbraw/zinc/12/03/32/990120332.db2.gz HWCAEBKNCSVDMT-UHFFFAOYSA-N -2 3 367.427 1.763 20 0 FDADHL COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599702287 991238574 /nfs/dbraw/zinc/23/85/74/991238574.db2.gz KXHNKBCWVKLPSK-IUODEOHRSA-N -2 3 368.436 1.858 20 0 FDADHL COc1ccccc1OCCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599716276 991460406 /nfs/dbraw/zinc/46/04/06/991460406.db2.gz HRSRNKVTKQWJHC-UHFFFAOYSA-N -2 3 369.399 1.172 20 0 FDADHL COc1cccnc1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001599719439 991511474 /nfs/dbraw/zinc/51/14/74/991511474.db2.gz DSAQAEKYTRMNKF-UHFFFAOYSA-N -2 3 358.322 1.545 20 0 FDADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-])C1CCCCC1 ZINC001599743647 991898296 /nfs/dbraw/zinc/89/82/96/991898296.db2.gz KOUGJDIESQWWGL-XUSGNXJCSA-N -2 3 352.478 1.505 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001591441606 992535811 /nfs/dbraw/zinc/53/58/11/992535811.db2.gz COBAGJYUVSXNRA-SNVBAGLBSA-N -2 3 361.420 1.143 20 0 FDADHL C[C@@H](NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001593125322 993862464 /nfs/dbraw/zinc/86/24/64/993862464.db2.gz QEXVOMYXAUODRG-RXMQYKEDSA-N -2 3 373.295 1.547 20 0 FDADHL C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001593319728 994849667 /nfs/dbraw/zinc/84/96/67/994849667.db2.gz QXRBUJMZSRNHRU-ZCFIWIBFSA-N -2 3 356.326 1.059 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)c1noc(-c2ccccc2)n1 ZINC001593334440 994911778 /nfs/dbraw/zinc/91/17/78/994911778.db2.gz RZCRBYGCQWTGAZ-JTQLQIEISA-N -2 3 374.378 1.869 20 0 FDADHL C[C@](O)(CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC001593386179 995101095 /nfs/dbraw/zinc/10/10/95/995101095.db2.gz GNNYRHVYCLYPCK-AWEZNQCLSA-N -2 3 356.425 1.417 20 0 FDADHL COC(=O)C1([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CCCCC1 ZINC001598726018 995519822 /nfs/dbraw/zinc/51/98/22/995519822.db2.gz UNXSDJQOYZNAPM-UHFFFAOYSA-N -2 3 361.460 1.817 20 0 FDADHL COC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccn1 ZINC001598832330 996449583 /nfs/dbraw/zinc/44/95/83/996449583.db2.gz AFGZTXFGWSERPA-HNNXBMFYSA-N -2 3 368.367 1.130 20 0 FDADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccc(F)nc2F)cc1 ZINC001599514593 997359869 /nfs/dbraw/zinc/35/98/69/997359869.db2.gz BKMJDMPHDPWWFX-NSHDSACASA-N -2 3 372.349 1.863 20 0 FDADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599328731 997710320 /nfs/dbraw/zinc/71/03/20/997710320.db2.gz YGIOAMIIFHMGST-UHFFFAOYSA-N -2 3 357.681 1.639 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594113528 998226341 /nfs/dbraw/zinc/22/63/41/998226341.db2.gz JTIZFKROTICMDW-QMMMGPOBSA-N -2 3 356.741 1.811 20 0 FDADHL COC(=O)c1coc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599012409 998909677 /nfs/dbraw/zinc/90/96/77/998909677.db2.gz YQPQDNWKVBCIJB-UHFFFAOYSA-N -2 3 373.770 1.896 20 0 FDADHL COC(=O)c1nc(C[N-]S(=O)(=O)c2occc2C(=O)[O-])ccc1Cl ZINC001599015244 998932873 /nfs/dbraw/zinc/93/28/73/998932873.db2.gz BQZNQMRTEIQRGM-UHFFFAOYSA-N -2 3 374.758 1.291 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CCCC1 ZINC001599017920 998954520 /nfs/dbraw/zinc/95/45/20/998954520.db2.gz SHIYYKAKPNERRR-SECBINFHSA-N -2 3 362.429 1.242 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CN1C1CC1 ZINC001594264044 999019797 /nfs/dbraw/zinc/01/97/97/999019797.db2.gz KDNLKVQIOQNNGS-PSASIEDQSA-N -2 3 360.382 1.567 20 0 FDADHL O=C(NCCN=c1ccc(OCC(F)(F)F)n[n-]1)c1ccc([O-])cc1 ZINC000647857387 1009963475 /nfs/dbraw/zinc/96/34/75/1009963475.db2.gz PWNGPWPNTSUTFY-UHFFFAOYSA-N -2 3 356.304 1.387 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)CC1CC1 ZINC000650430732 1011978171 /nfs/dbraw/zinc/97/81/71/1011978171.db2.gz VVRLCQLYWAOCQT-SECBINFHSA-N -2 3 352.334 1.880 20 0 FDADHL Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000514725689 539018651 /nfs/dbraw/zinc/01/86/51/539018651.db2.gz QTVSWVYUPSGMJM-SSDOTTSWSA-N -2 3 358.445 1.101 20 0 FDADHL CCN(CCC(=O)[O-])C(=O)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000261914939 178643793 /nfs/dbraw/zinc/64/37/93/178643793.db2.gz HRVMYCQMRJIDPR-OAHLLOKOSA-N -2 3 374.434 1.452 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262167982 178686748 /nfs/dbraw/zinc/68/67/48/178686748.db2.gz QGNLLWXGRGULMI-WHXUTIOJSA-N -2 3 360.457 1.175 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)c2)n1 ZINC000262289736 178711832 /nfs/dbraw/zinc/71/18/32/178711832.db2.gz KYHRQEFXWZSQRN-UONOGXRCSA-N -2 3 357.366 1.982 20 0 FDADHL Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc(Br)c2[O-])nc1=N ZINC000519165885 539473069 /nfs/dbraw/zinc/47/30/69/539473069.db2.gz HMORDFSFPFDDLJ-SNVBAGLBSA-N -2 3 366.219 1.673 20 0 FDADHL O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000528882162 539790002 /nfs/dbraw/zinc/79/00/02/539790002.db2.gz KPYPPLMSFMZGLQ-QMMMGPOBSA-N -2 3 352.192 1.688 20 0 FDADHL O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000528882162 539790005 /nfs/dbraw/zinc/79/00/05/539790005.db2.gz KPYPPLMSFMZGLQ-QMMMGPOBSA-N -2 3 352.192 1.688 20 0 FDADHL COC[C@@H](C)S(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530145831 539894223 /nfs/dbraw/zinc/89/42/23/539894223.db2.gz WIQSJHDKUDWFFA-SSDOTTSWSA-N -2 3 352.206 1.924 20 0 FDADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000530339302 539945320 /nfs/dbraw/zinc/94/53/20/539945320.db2.gz STASAGZQODTRNY-SNVBAGLBSA-N -2 3 366.342 1.973 20 0 FDADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)[O-] ZINC000530339696 539945722 /nfs/dbraw/zinc/94/57/22/539945722.db2.gz ZAWDPRLZMJHVOU-GFCCVEGCSA-N -2 3 367.408 1.838 20 0 FDADHL Cc1c([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])cnn1C ZINC000530383009 539958505 /nfs/dbraw/zinc/95/85/05/539958505.db2.gz JCPPXVGCMFIEGN-GFCCVEGCSA-N -2 3 363.317 1.250 20 0 FDADHL CCOC(=O)N1CCC(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)CC1 ZINC000274887460 181186272 /nfs/dbraw/zinc/18/62/72/181186272.db2.gz FFCNDEXZQPTATG-UHFFFAOYSA-N -2 3 374.390 1.887 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000274905419 181191354 /nfs/dbraw/zinc/19/13/54/181191354.db2.gz JFZBASBVNNPKQL-UHFFFAOYSA-N -2 3 367.379 1.594 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000274916727 181193763 /nfs/dbraw/zinc/19/37/63/181193763.db2.gz LVMXPIGOSNIDSX-NSHDSACASA-N -2 3 365.835 1.897 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)s2)cs1 ZINC000274926100 181196698 /nfs/dbraw/zinc/19/66/98/181196698.db2.gz NXDUNJGWXDMQNI-UPONEAKYSA-N -2 3 362.454 1.292 20 0 FDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1Cl ZINC000275018437 181218888 /nfs/dbraw/zinc/21/88/88/181218888.db2.gz CYSZBCNHISFZHS-MRVPVSSYSA-N -2 3 369.226 1.299 20 0 FDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000275033311 181221348 /nfs/dbraw/zinc/22/13/48/181221348.db2.gz FXOXJXKYTXBXJO-NSHDSACASA-N -2 3 359.429 1.211 20 0 FDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000275038240 181223120 /nfs/dbraw/zinc/22/31/20/181223120.db2.gz UZGCWFFJAKFMOY-SECBINFHSA-N -2 3 367.420 1.151 20 0 FDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000275056869 181227384 /nfs/dbraw/zinc/22/73/84/181227384.db2.gz UATZPXKQAQYDRX-CBAPKCEASA-N -2 3 364.192 1.896 20 0 FDADHL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000275240381 181267610 /nfs/dbraw/zinc/26/76/10/181267610.db2.gz KFMCGAIEVWXYTG-SECBINFHSA-N -2 3 369.317 1.466 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCC1 ZINC000536292787 540575500 /nfs/dbraw/zinc/57/55/00/540575500.db2.gz YVJUIOBJMWPQIA-UHFFFAOYSA-N -2 3 372.830 1.900 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000536308471 540577481 /nfs/dbraw/zinc/57/74/81/540577481.db2.gz LCXCARPIHHXMBH-GFCCVEGCSA-N -2 3 369.420 1.509 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c(F)c1 ZINC000536493412 540602758 /nfs/dbraw/zinc/60/27/58/540602758.db2.gz XERGCUWZQVAJKY-UHFFFAOYSA-N -2 3 360.388 1.704 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cncc4ccccc43)ccc21 ZINC000536657857 540636716 /nfs/dbraw/zinc/63/67/16/540636716.db2.gz ACAPABVNRRDUQN-UHFFFAOYSA-N -2 3 353.359 1.919 20 0 FDADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C ZINC000537194309 540699030 /nfs/dbraw/zinc/69/90/30/540699030.db2.gz GLJUIEVKBYEMTR-SECBINFHSA-N -2 3 362.411 1.847 20 0 FDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])c1 ZINC000275382409 181304842 /nfs/dbraw/zinc/30/48/42/181304842.db2.gz ZSIMMUAGYLTAHE-CYBMUJFWSA-N -2 3 352.387 1.751 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000538298029 540838647 /nfs/dbraw/zinc/83/86/47/540838647.db2.gz CQSFRGXPODQLLE-UHFFFAOYSA-N -2 3 372.424 1.157 20 0 FDADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C)C)c1 ZINC000538748419 540887846 /nfs/dbraw/zinc/88/78/46/540887846.db2.gz IONMAROGRLPWDL-UHFFFAOYSA-N -2 3 350.396 1.903 20 0 FDADHL O=C1[N-]C(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)N1 ZINC000539854918 541000706 /nfs/dbraw/zinc/00/07/06/541000706.db2.gz OVMDRYBBLPSFPI-CYBMUJFWSA-N -2 3 363.370 1.377 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)c1 ZINC000540497827 541067518 /nfs/dbraw/zinc/06/75/18/541067518.db2.gz HFFXFSMTSRRDHQ-UHFFFAOYSA-N -2 3 356.787 1.954 20 0 FDADHL COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000544936360 541856790 /nfs/dbraw/zinc/85/67/90/541856790.db2.gz FESCYACURSIFCN-NSHDSACASA-N -2 3 361.391 1.698 20 0 FDADHL CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC000280015763 181923746 /nfs/dbraw/zinc/92/37/46/181923746.db2.gz OFDNJFYFDBUNFP-LBPRGKRZSA-N -2 3 372.418 1.369 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(Cl)cc1Cl ZINC000282851450 182065878 /nfs/dbraw/zinc/06/58/78/182065878.db2.gz NTNNTNKMWCLGIU-UHFFFAOYSA-N -2 3 368.194 1.676 20 0 FDADHL CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000283732586 182262293 /nfs/dbraw/zinc/26/22/93/182262293.db2.gz CLCPYOVNGXYJQW-UHFFFAOYSA-N -2 3 356.379 1.349 20 0 FDADHL Cc1c([O-])ccc2c(CN3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc(=O)oc12 ZINC000295443185 184071337 /nfs/dbraw/zinc/07/13/37/184071337.db2.gz VUNOSLTXEHWOIX-LLVKDONJSA-N -2 3 357.366 1.863 20 0 FDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000297195758 184243685 /nfs/dbraw/zinc/24/36/85/184243685.db2.gz MHSOMXIUTDACTE-SECBINFHSA-N -2 3 367.420 1.151 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)s1 ZINC000547548000 542369295 /nfs/dbraw/zinc/36/92/95/542369295.db2.gz BSFQTLACORVTTC-LBPRGKRZSA-N -2 3 355.393 1.639 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)cnc2c1Cl ZINC000547551802 542371242 /nfs/dbraw/zinc/37/12/42/542371242.db2.gz OFQYNLNCSFSSJR-JTQLQIEISA-N -2 3 360.823 1.469 20 0 FDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000547558246 542374321 /nfs/dbraw/zinc/37/43/21/542374321.db2.gz WXEFJCKRAQCGCZ-AWEZNQCLSA-N -2 3 369.420 1.194 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])oc1C ZINC000547569419 542378338 /nfs/dbraw/zinc/37/83/38/542378338.db2.gz LHSOIXICMQXTHR-NHYWBVRUSA-N -2 3 359.400 1.686 20 0 FDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000547571536 542378861 /nfs/dbraw/zinc/37/88/61/542378861.db2.gz YHEBLYHPIWEXLN-VIFPVBQESA-N -2 3 363.819 1.906 20 0 FDADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])cc1C ZINC000547557366 542374151 /nfs/dbraw/zinc/37/41/51/542374151.db2.gz NFQVDDGJSBVWBL-NEPJUHHUSA-N -2 3 372.399 1.370 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000547608917 542389307 /nfs/dbraw/zinc/38/93/07/542389307.db2.gz CPETXMVCSHLBKC-LBPRGKRZSA-N -2 3 371.342 1.180 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547888819 542477927 /nfs/dbraw/zinc/47/79/27/542477927.db2.gz CAWWMGCDNMONRP-DOMZBBRYSA-N -2 3 359.375 1.534 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])cn1C ZINC000547889235 542478013 /nfs/dbraw/zinc/47/80/13/542478013.db2.gz FNVDNAYCYFXTMI-CQSZACIVSA-N -2 3 351.428 1.259 20 0 FDADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547890799 542478630 /nfs/dbraw/zinc/47/86/30/542478630.db2.gz HIQCOKFVCHTIPN-SSDOTTSWSA-N -2 3 362.791 1.554 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)on1 ZINC000547934749 542492307 /nfs/dbraw/zinc/49/23/07/542492307.db2.gz VZCWESKGUCYAFJ-UHFFFAOYSA-N -2 3 354.340 1.394 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547932114 542491517 /nfs/dbraw/zinc/49/15/17/542491517.db2.gz WYMQTZBJOHHIME-LBPRGKRZSA-N -2 3 373.408 1.794 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-] ZINC000548193275 542579693 /nfs/dbraw/zinc/57/96/93/542579693.db2.gz VJSIEQFTMUHPHW-ZWNOBZJWSA-N -3 3 357.384 1.564 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])cc1Cl ZINC000548199474 542582223 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359.375 1.534 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2C)C(=O)[O-])s1 ZINC000548551411 542700289 /nfs/dbraw/zinc/70/02/89/542700289.db2.gz JJSNEYJKWKTSKL-ZDUSSCGKSA-N -2 3 354.453 1.982 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])s1 ZINC000548549045 542699428 /nfs/dbraw/zinc/69/94/28/542699428.db2.gz GJUPFOCIKMQTBQ-SNVBAGLBSA-N -2 3 362.473 1.696 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)oc1C ZINC000548567675 542705396 /nfs/dbraw/zinc/70/53/96/542705396.db2.gz KCPPDCYBDZLEBF-CYBMUJFWSA-N -2 3 371.342 1.618 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cnc2c1Cl ZINC000548590580 542712631 /nfs/dbraw/zinc/71/26/31/542712631.db2.gz PGCAFOSYEBVZGL-JTQLQIEISA-N -2 3 374.850 1.859 20 0 FDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000548594672 542714455 /nfs/dbraw/zinc/71/44/55/542714455.db2.gz ZBUYXBNBGSIAIX-BDAKNGLRSA-N -2 3 364.445 1.488 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000548729248 542765281 /nfs/dbraw/zinc/76/52/81/542765281.db2.gz LUQFIULGYSKACG-LLVKDONJSA-N -2 3 354.204 1.325 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000548836568 542788241 /nfs/dbraw/zinc/78/82/41/542788241.db2.gz QFNPJNJTAMUBPL-QFYYESIMSA-N -2 3 373.427 1.940 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@H](O)C(=O)[O-])c1 ZINC000549911984 542964937 /nfs/dbraw/zinc/96/49/37/542964937.db2.gz WSEXERGOEDMSAE-HIFRSBDPSA-N -2 3 373.475 1.527 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@H](O)C(=O)[O-])c1 ZINC000549911986 542964971 /nfs/dbraw/zinc/96/49/71/542964971.db2.gz WSEXERGOEDMSAE-ZFWWWQNUSA-N -2 3 373.475 1.527 20 0 FDADHL O=C([O-])c1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000551771240 543339567 /nfs/dbraw/zinc/33/95/67/543339567.db2.gz FUEFUASPHSVEOJ-UHFFFAOYSA-N -2 3 366.370 1.119 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000552000710 543402191 /nfs/dbraw/zinc/40/21/91/543402191.db2.gz 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COc1cc(Br)cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1 ZINC000575043700 550414237 /nfs/dbraw/zinc/41/42/37/550414237.db2.gz MJPAYBFDKWLIBE-SECBINFHSA-N -2 3 356.169 1.159 20 0 FDADHL CCc1cccc2c(CC[N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])c[nH]c21 ZINC000575285044 550450327 /nfs/dbraw/zinc/45/03/27/550450327.db2.gz YRKXIYODOGARFO-UHFFFAOYSA-N -2 3 362.411 1.673 20 0 FDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)[C@H]1OC ZINC000577496152 550662762 /nfs/dbraw/zinc/66/27/62/550662762.db2.gz BOWFIMCXUVWRFU-MISXGVKJSA-N -2 3 361.391 1.303 20 0 FDADHL CCOCc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000578765111 550799639 /nfs/dbraw/zinc/79/96/39/550799639.db2.gz HDWPHMYNBPMPBG-UHFFFAOYSA-N -2 3 356.425 1.856 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)c1 ZINC000581249382 551068244 /nfs/dbraw/zinc/06/82/44/551068244.db2.gz ZMGHSRPDBBSJBS-UHFFFAOYSA-N -2 3 353.352 1.618 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)s1 ZINC000581285895 551071657 /nfs/dbraw/zinc/07/16/57/551071657.db2.gz MSEBAOKJOCYEML-UHFFFAOYSA-N -2 3 362.410 1.168 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)cn1C ZINC000581413833 551086003 /nfs/dbraw/zinc/08/60/03/551086003.db2.gz PSASYTCTKYCKLH-UHFFFAOYSA-N -2 3 373.381 1.998 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C3CCOCC3)cn21 ZINC000582654990 551252542 /nfs/dbraw/zinc/25/25/42/551252542.db2.gz YGFORZFEUSKJJI-AAEUAGOBSA-N -2 3 371.459 1.329 20 0 FDADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CCCC2)no1 ZINC000583082317 551301214 /nfs/dbraw/zinc/30/12/14/551301214.db2.gz QLLVDFUBEXOPKY-UHFFFAOYSA-N -2 3 368.415 1.967 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])c1noc(-c2ccccc2)n1 ZINC000583809850 551405274 /nfs/dbraw/zinc/40/52/74/551405274.db2.gz HFMMERYFRCRRTE-ZYHUDNBSSA-N -2 3 366.399 1.181 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)c[n-]1 ZINC000592384859 551987211 /nfs/dbraw/zinc/98/72/11/551987211.db2.gz CTCUHWWJYHXMKJ-UHFFFAOYSA-N -2 3 360.779 1.444 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)[n-]1 ZINC000592384859 551987213 /nfs/dbraw/zinc/98/72/13/551987213.db2.gz CTCUHWWJYHXMKJ-UHFFFAOYSA-N -2 3 360.779 1.444 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000593218885 552074161 /nfs/dbraw/zinc/07/41/61/552074161.db2.gz YDTQTTKQFHDFRC-LBPRGKRZSA-N -2 3 361.391 1.780 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(Cl)c2[O-])cn1C ZINC000605888244 554020834 /nfs/dbraw/zinc/02/08/34/554020834.db2.gz MNCKMVQYYOYJEB-UHFFFAOYSA-N -2 3 372.834 1.395 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3O)ccc21 ZINC000607103646 554121496 /nfs/dbraw/zinc/12/14/96/554121496.db2.gz NKRMSLNORHVUMM-UHFFFAOYSA-N -2 3 352.755 1.730 20 0 FDADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000609286750 554359800 /nfs/dbraw/zinc/35/98/00/554359800.db2.gz JDQAKBHZKZSFLL-UHFFFAOYSA-N -2 3 374.374 1.466 20 0 FDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000609494589 554384311 /nfs/dbraw/zinc/38/43/11/554384311.db2.gz JHTOWRAPMQXGMC-QHCPKHFHSA-N -2 3 364.404 1.108 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000613475011 554929491 /nfs/dbraw/zinc/92/94/91/554929491.db2.gz LDCLCWGRGHYTIV-NSHDSACASA-N -2 3 355.402 1.529 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000613475011 554929489 /nfs/dbraw/zinc/92/94/89/554929489.db2.gz LDCLCWGRGHYTIV-NSHDSACASA-N -2 3 355.402 1.529 20 0 FDADHL CCOC(=O)c1n[n-]c(CNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000616029120 555264704 /nfs/dbraw/zinc/26/47/04/555264704.db2.gz ZBFGPRLTSJFZDO-UHFFFAOYSA-N -2 3 359.169 1.924 20 0 FDADHL CCOC(=O)c1nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)n[n-]1 ZINC000616029120 555264701 /nfs/dbraw/zinc/26/47/01/555264701.db2.gz ZBFGPRLTSJFZDO-UHFFFAOYSA-N -2 3 359.169 1.924 20 0 FDADHL CCOC(=O)c1nnc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)[n-]1 ZINC000616029120 555264702 /nfs/dbraw/zinc/26/47/02/555264702.db2.gz ZBFGPRLTSJFZDO-UHFFFAOYSA-N -2 3 359.169 1.924 20 0 FDADHL CC(C)Cc1nc(=NC(=O)C[N-]S(=O)(=O)c2cccs2)s[n-]1 ZINC000618346929 555620386 /nfs/dbraw/zinc/62/03/86/555620386.db2.gz KRAXQCJJHBFETI-UHFFFAOYSA-N -2 3 360.486 1.137 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)c[n-]1 ZINC000618906564 555693982 /nfs/dbraw/zinc/69/39/82/555693982.db2.gz NHPFANJTIKPHDT-UHFFFAOYSA-N -2 3 373.412 1.544 20 0 FDADHL C[C@]1(c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000621584895 556115551 /nfs/dbraw/zinc/11/55/51/556115551.db2.gz LCPPEAJEWGPPSA-AUUYWEPGSA-N -2 3 373.409 1.505 20 0 FDADHL CCO[C@@H](CS(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F)C1CC1 ZINC000629295326 557754797 /nfs/dbraw/zinc/75/47/97/557754797.db2.gz JPUXJCIHJFPQMX-GXTWGEPZSA-N -2 3 363.382 1.825 20 0 FDADHL O=C([O-])c1cnc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)nc1 ZINC000629314195 557760910 /nfs/dbraw/zinc/76/09/10/557760910.db2.gz QSZSLWFHNHNBQS-UHFFFAOYSA-N -2 3 361.379 1.172 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(CC(=O)[O-])cc3)cn21 ZINC000629333736 557766920 /nfs/dbraw/zinc/76/69/20/557766920.db2.gz AXOXTWFWPIXDPJ-GFCCVEGCSA-N -2 3 363.439 1.886 20 0 FDADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)c1 ZINC000630120816 557881825 /nfs/dbraw/zinc/88/18/25/557881825.db2.gz BMNTZPXGPBVFOF-OASPWFOLSA-N -2 3 356.400 1.183 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@H]2CCC[C@@H]21 ZINC000630277860 557894642 /nfs/dbraw/zinc/89/46/42/557894642.db2.gz GIGZLXWDDCGIRW-UTUOFQBUSA-N -2 3 372.468 1.128 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c(C)o1 ZINC000630287538 557895253 /nfs/dbraw/zinc/89/52/53/557895253.db2.gz YZRJZCNZJUTJMF-GMXVVIOVSA-N -2 3 370.427 1.212 20 0 FDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736352175 598858192 /nfs/dbraw/zinc/85/81/92/598858192.db2.gz XAEKSMZWFKUZLP-JTQLQIEISA-N -2 3 367.431 1.269 20 0 FDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736352175 598858194 /nfs/dbraw/zinc/85/81/94/598858194.db2.gz XAEKSMZWFKUZLP-JTQLQIEISA-N -2 3 367.431 1.269 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000822497210 607255668 /nfs/dbraw/zinc/25/56/68/607255668.db2.gz YLXDFDAWHZSFEB-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822497210 607255669 /nfs/dbraw/zinc/25/56/69/607255669.db2.gz YLXDFDAWHZSFEB-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C ZINC000737297561 598976205 /nfs/dbraw/zinc/97/62/05/598976205.db2.gz BSBXHGZUASRWOQ-NSHDSACASA-N -2 3 367.431 1.041 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C ZINC000737297561 598976207 /nfs/dbraw/zinc/97/62/07/598976207.db2.gz BSBXHGZUASRWOQ-NSHDSACASA-N -2 3 367.431 1.041 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737111256 599025811 /nfs/dbraw/zinc/02/58/11/599025811.db2.gz KGGFVDUEEKEQTA-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737111256 599025813 /nfs/dbraw/zinc/02/58/13/599025813.db2.gz KGGFVDUEEKEQTA-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736878916 599042007 /nfs/dbraw/zinc/04/20/07/599042007.db2.gz KSMUMTHMHNWRDO-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736878916 599042010 /nfs/dbraw/zinc/04/20/10/599042010.db2.gz KSMUMTHMHNWRDO-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CCOC1 ZINC000166019441 602159094 /nfs/dbraw/zinc/15/90/94/602159094.db2.gz BNSZIOUGDNSLHO-RQJHMYQMSA-N -2 3 368.205 1.444 20 0 FDADHL CCOC(=O)c1sc2[n-]c([C@H](C)N(C)CCC(=O)[O-])nc(=O)c2c1C ZINC000818229227 596996129 /nfs/dbraw/zinc/99/61/29/596996129.db2.gz FNQCNBQOMNJJSB-VIFPVBQESA-N -2 3 367.427 1.937 20 0 FDADHL Cc1c(NC(=O)C(=O)[N-]OCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822061383 607274070 /nfs/dbraw/zinc/27/40/70/607274070.db2.gz MXVOYFLSJPSNLH-UHFFFAOYSA-N -2 3 352.354 1.362 20 0 FDADHL Cc1c(NC(=O)C(=O)[N-]OCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822061383 607274071 /nfs/dbraw/zinc/27/40/71/607274071.db2.gz MXVOYFLSJPSNLH-UHFFFAOYSA-N -2 3 352.354 1.362 20 0 FDADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000820841857 607328315 /nfs/dbraw/zinc/32/83/15/607328315.db2.gz GRGPYKVMNWPSRU-UHFFFAOYSA-N -2 3 358.383 1.655 20 0 FDADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000820841857 607328316 /nfs/dbraw/zinc/32/83/16/607328316.db2.gz GRGPYKVMNWPSRU-UHFFFAOYSA-N -2 3 358.383 1.655 20 0 FDADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000737190338 598295977 /nfs/dbraw/zinc/29/59/77/598295977.db2.gz YKXSDWMBXXZAPB-UHFFFAOYSA-N -2 3 372.823 1.161 20 0 FDADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000737190338 598295978 /nfs/dbraw/zinc/29/59/78/598295978.db2.gz YKXSDWMBXXZAPB-UHFFFAOYSA-N -2 3 372.823 1.161 20 0 FDADHL 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3 371.378 1.188 20 0 FDADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824019599 946559262 /nfs/dbraw/zinc/55/92/62/946559262.db2.gz HUWQSSCTUREGBC-UHFFFAOYSA-N -2 3 371.378 1.188 20 0 FDADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000824371599 946673222 /nfs/dbraw/zinc/67/32/22/946673222.db2.gz LGDNYILMBRTLPN-UHFFFAOYSA-N -2 3 351.367 1.584 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)ccc2O1 ZINC000825012627 947046029 /nfs/dbraw/zinc/04/60/29/947046029.db2.gz KONLFDIZNWGINZ-JTQLQIEISA-N -2 3 357.395 1.991 20 0 FDADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC2(F)F)c1 ZINC001196044672 971424671 /nfs/dbraw/zinc/42/46/71/971424671.db2.gz KYVGBEBFYPNZRI-QMMMGPOBSA-N -2 3 356.144 1.833 20 0 FDADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844786355 948386483 /nfs/dbraw/zinc/38/64/83/948386483.db2.gz OVXFNCNLLSONDS-NSHDSACASA-N -2 3 366.798 1.422 20 0 FDADHL COc1cc(Br)c(S(=O)(=O)[N-]CC(F)F)cc1C(=O)[O-] ZINC000844894778 948478550 /nfs/dbraw/zinc/47/85/50/948478550.db2.gz ZJIKXEKKOJDHHK-UHFFFAOYSA-N -2 3 374.159 1.699 20 0 FDADHL C[S@@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844894287 948480916 /nfs/dbraw/zinc/48/09/16/948480916.db2.gz KUVSZUZOHZOGND-HXUWFJFHSA-N -2 3 374.267 1.739 20 0 FDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000846003776 950316086 /nfs/dbraw/zinc/31/60/86/950316086.db2.gz NUAVRRGYWKHGKD-UHFFFAOYSA-N -2 3 357.251 1.165 20 0 FDADHL C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC001575937584 950951020 /nfs/dbraw/zinc/95/10/20/950951020.db2.gz KUFKHUSABQDYSO-PWSUYJOCSA-N -2 3 366.385 1.077 20 0 FDADHL C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575937584 950951041 /nfs/dbraw/zinc/95/10/41/950951041.db2.gz KUFKHUSABQDYSO-PWSUYJOCSA-N -2 3 366.385 1.077 20 0 FDADHL COC(=O)c1cc(NC(=O)C2(CC(=O)[O-])CCOCC2)c([O-])c(OC)c1 ZINC001593871909 955645044 /nfs/dbraw/zinc/64/50/44/955645044.db2.gz HRENKWRDOAIKBX-UHFFFAOYSA-N -2 3 367.354 1.397 20 0 FDADHL CON(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H](C)C(=O)[O-] ZINC001594040390 957862640 /nfs/dbraw/zinc/86/26/40/957862640.db2.gz LMOPMZIMSVCBCA-ZETCQYMHSA-N -2 3 369.171 1.767 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(Br)o1 ZINC000091316282 958140403 /nfs/dbraw/zinc/14/04/03/958140403.db2.gz SVZGESDUSLKBGI-NKWVEPMBSA-N -2 3 368.205 1.180 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001574418122 961336812 /nfs/dbraw/zinc/33/68/12/961336812.db2.gz KCHVUYZIEHZZKG-CABCVRRESA-N -2 3 370.409 1.442 20 0 FDADHL O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)Nc1cncc([O-])c1 ZINC001182546738 962297779 /nfs/dbraw/zinc/29/77/79/962297779.db2.gz OOCOWJXWDRRFGR-AWEZNQCLSA-N -2 3 373.390 1.699 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])ccc1F ZINC001588927610 962432157 /nfs/dbraw/zinc/43/21/57/962432157.db2.gz ZUUBQZNEIDRPPT-UHFFFAOYSA-N -2 3 370.362 1.186 20 0 FDADHL O=C([O-])COc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001574729102 962825155 /nfs/dbraw/zinc/82/51/55/962825155.db2.gz DFCTZMAHGLXLDZ-UHFFFAOYSA-N -2 3 355.350 1.679 20 0 FDADHL COc1cc(CO)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185604588 964000955 /nfs/dbraw/zinc/00/09/55/964000955.db2.gz LLMNJIMREPJBOA-UHFFFAOYSA-N -2 3 361.383 1.168 20 0 FDADHL COc1cc(CO)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185604588 964000963 /nfs/dbraw/zinc/00/09/63/964000963.db2.gz LLMNJIMREPJBOA-UHFFFAOYSA-N -2 3 361.383 1.168 20 0 FDADHL O=S(=O)([N-]c1ccccc1-n1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185609312 964002841 /nfs/dbraw/zinc/00/28/41/964002841.db2.gz HUFQBEABZREJKT-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL CN(CC(=O)Nc1cc(F)c(Cl)nc1Cl)C(N)=NP(=O)([O-])[O-] ZINC001185654082 964028044 /nfs/dbraw/zinc/02/80/44/964028044.db2.gz LYLMQRPCBPBGCK-UHFFFAOYSA-N -2 3 374.096 1.015 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C(N)=O ZINC001185906436 964187198 /nfs/dbraw/zinc/18/71/98/964187198.db2.gz WAGWKAQZFGQWQH-UHFFFAOYSA-N -2 3 364.379 1.602 20 0 FDADHL COc1ccc(C(=O)CCC(=O)NCCCCP(=O)([O-])[O-])cc1F ZINC001179826169 965015427 /nfs/dbraw/zinc/01/54/27/965015427.db2.gz OIYBAPDFTDPWJJ-UHFFFAOYSA-N -2 3 361.306 1.871 20 0 FDADHL O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCCCCP(=O)([O-])[O-] ZINC001180312293 965210534 /nfs/dbraw/zinc/21/05/34/965210534.db2.gz JOFRDDDOASBVGL-AWEZNQCLSA-N -2 3 354.343 1.077 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)NCCCCP(=O)([O-])[O-])ccc1Cl ZINC001188336820 966214717 /nfs/dbraw/zinc/21/47/17/966214717.db2.gz KGHVCODDRADQOD-UHFFFAOYSA-N -3 3 371.735 1.274 20 0 FDADHL O=C([O-])c1cc(C(=O)Nc2ccc(F)c([O-])c2)cc(S(=O)(=O)[O-])c1 ZINC001189933797 967433701 /nfs/dbraw/zinc/43/37/01/967433701.db2.gz LGNPZDXEJUMXHL-UHFFFAOYSA-N -3 3 355.299 1.729 20 0 FDADHL O=C(CSc1n[n-]c(=S)s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342254 968788064 /nfs/dbraw/zinc/78/80/64/968788064.db2.gz NBXSJULXSPOUFD-UHFFFAOYSA-N -2 3 359.458 1.414 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)cc1 ZINC001192727076 969244872 /nfs/dbraw/zinc/24/48/72/969244872.db2.gz NMHMWHMVPVUGQR-MRXNPFEDSA-N -2 3 363.391 1.930 20 0 FDADHL O=C([O-])CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001608754611 970414177 /nfs/dbraw/zinc/41/41/77/970414177.db2.gz SGULKBDWQFZPQB-UHFFFAOYSA-N -2 3 359.563 1.758 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)c(F)cc1F ZINC001195186797 970729552 /nfs/dbraw/zinc/72/95/52/970729552.db2.gz NKJDAGGRJUNVBQ-CYBMUJFWSA-N -2 3 357.334 1.675 20 0 FDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001603322685 972654000 /nfs/dbraw/zinc/65/40/00/972654000.db2.gz QDMOJTPSGSGYCN-OTYXRUKQSA-N -2 3 350.337 1.404 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)n1 ZINC001605091505 972736234 /nfs/dbraw/zinc/73/62/34/972736234.db2.gz DHAXPHPZIFWNTC-UHFFFAOYSA-N -2 3 356.382 1.080 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CS1 ZINC000397874387 973030671 /nfs/dbraw/zinc/03/06/71/973030671.db2.gz LBAYBYQECNOTOI-WDSKDSINSA-N -2 3 370.246 1.913 20 0 FDADHL CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)c([O-])c1 ZINC001603969704 974458487 /nfs/dbraw/zinc/45/84/87/974458487.db2.gz RKNULVRZVZIMFI-MMSRSVNZSA-N -2 3 361.394 1.681 20 0 FDADHL C[C@@](CCF)([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC001592508544 978336301 /nfs/dbraw/zinc/33/63/01/978336301.db2.gz ZGTQQWNOFJUEJS-NSHDSACASA-N -2 3 351.743 1.357 20 0 FDADHL O=C([O-])[C@H](CNC(=O)c1nnc2ccccc2c1[O-])Oc1ccc(F)cc1 ZINC000776688597 978771894 /nfs/dbraw/zinc/77/18/94/978771894.db2.gz JQXAVUIXTLKQIS-AWEZNQCLSA-N -2 3 371.324 1.737 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c1 ZINC000794763977 978820730 /nfs/dbraw/zinc/82/07/30/978820730.db2.gz OZNCUXKSAPFUIV-UHFFFAOYSA-N -2 3 371.342 1.772 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCCc3ccccc32)o1 ZINC000829277992 978996731 /nfs/dbraw/zinc/99/67/31/978996731.db2.gz DSVUXFOLTZAIEZ-MRXNPFEDSA-N -2 3 351.380 1.480 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c1 ZINC000776541560 979026818 /nfs/dbraw/zinc/02/68/18/979026818.db2.gz BONMXMVRUAJYTL-LBPRGKRZSA-N -2 3 371.342 1.180 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837288942 979270950 /nfs/dbraw/zinc/27/09/50/979270950.db2.gz RJUZVKPLCMLGGT-LURJTMIESA-N -2 3 371.640 1.887 20 0 FDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000776562524 979288026 /nfs/dbraw/zinc/28/80/26/979288026.db2.gz YJHFZBHAXPRJCG-SECBINFHSA-N -2 3 361.420 1.207 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(=O)[n-]1 ZINC000881447383 979948660 /nfs/dbraw/zinc/94/86/60/979948660.db2.gz YCIBAVYSDRAUHG-HNNXBMFYSA-N -2 3 374.363 1.401 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000826292930 981735533 /nfs/dbraw/zinc/73/55/33/981735533.db2.gz SSRJBQMLBIWJHH-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826299471 981932033 /nfs/dbraw/zinc/93/20/33/981932033.db2.gz GPMOEARAIFAXOT-UHFFFAOYSA-N -2 3 373.394 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PVTZFSWTEBZHSU-UHFFFAOYSA-N -2 3 355.416 1.548 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](CCC(=O)c2ccccc2)C(=O)[O-])c[nH]1 ZINC000584152287 551455013 /nfs/dbraw/zinc/45/50/13/551455013.db2.gz PFIKCEIBLFYTIO-GFCCVEGCSA-N -2 3 351.384 1.113 20 0 FDADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000584244864 551469492 /nfs/dbraw/zinc/46/94/92/551469492.db2.gz CJPCGTMUYRKRQB-ZIAGYGMSSA-N -2 3 360.407 1.284 20 0 FDADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H](C)[C@@H]1OC ZINC000584527434 551512325 /nfs/dbraw/zinc/51/23/25/551512325.db2.gz MBJAHQCCWQAGDY-FXAINCCUSA-N -2 3 362.473 1.959 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c[n-]1 ZINC000585730405 551588817 /nfs/dbraw/zinc/58/88/17/551588817.db2.gz QBUFUHSRGLLBRA-UHFFFAOYSA-N -2 3 366.399 1.089 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[n-]1 ZINC000585730405 551588818 /nfs/dbraw/zinc/58/88/18/551588818.db2.gz QBUFUHSRGLLBRA-UHFFFAOYSA-N -2 3 366.399 1.089 20 0 FDADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592426855 551993813 /nfs/dbraw/zinc/99/38/13/551993813.db2.gz UUFMIAHNBXHOPQ-UHFFFAOYSA-N -2 3 354.384 1.187 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000592447279 551996889 /nfs/dbraw/zinc/99/68/89/551996889.db2.gz BKMKETDCJQHTRA-MRVPVSSYSA-N -2 3 367.470 1.267 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000593272196 552079806 /nfs/dbraw/zinc/07/98/06/552079806.db2.gz GGGAKUMQMMXWAT-JTQLQIEISA-N -2 3 359.400 1.408 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(C)o1 ZINC000614314881 555037054 /nfs/dbraw/zinc/03/70/54/555037054.db2.gz PCEDIBIUNHXSHD-VIFPVBQESA-N -2 3 373.408 1.930 20 0 FDADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCCc3cc(=O)[nH][n-]3)n2)c1 ZINC000614915668 555136913 /nfs/dbraw/zinc/13/69/13/555136913.db2.gz ZFVPASLLUNQIJR-UHFFFAOYSA-N -2 3 359.361 1.411 20 0 FDADHL CS(=O)(=O)Nc1n[n-]c(=NC(=O)c2cc(-c3cccs3)[n-]n2)s1 ZINC000615884833 555250019 /nfs/dbraw/zinc/25/00/19/555250019.db2.gz BCBLXVFPKLOJPU-UHFFFAOYSA-N -2 3 370.441 1.614 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N(CC(=O)[O-])C2CCCC2)ccc1F ZINC000621575348 556114198 /nfs/dbraw/zinc/11/41/98/556114198.db2.gz YUJXAKGVZGLITF-UHFFFAOYSA-N -2 3 358.391 1.667 20 0 FDADHL O=C([O-])[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C1CCCCC1 ZINC000621584428 556115830 /nfs/dbraw/zinc/11/58/30/556115830.db2.gz VEMMSJXFLMCPCC-INIZCTEOSA-N -2 3 373.409 1.642 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000621598047 556118996 /nfs/dbraw/zinc/11/89/96/556118996.db2.gz QWEKRDQHJZGSOQ-GARJFASQSA-N -2 3 360.457 1.175 20 0 FDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1)C(=O)[O-] ZINC000629295970 557755458 /nfs/dbraw/zinc/75/54/58/557755458.db2.gz PQBOONCQYMFOEC-MELADBBJSA-N -2 3 363.407 1.047 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c(F)c1F ZINC000629301761 557757097 /nfs/dbraw/zinc/75/70/97/557757097.db2.gz PELSLZCXDLNORW-MRVPVSSYSA-N -3 3 351.327 1.260 20 0 FDADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)OC)c1 ZINC000629333328 557766945 /nfs/dbraw/zinc/76/69/45/557766945.db2.gz OLHUISKEHRWTBE-ZDUSSCGKSA-N -2 3 369.395 1.961 20 0 FDADHL Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])CO2 ZINC000629334499 557767262 /nfs/dbraw/zinc/76/72/62/557767262.db2.gz RTEXNKWQITUCMH-SECBINFHSA-N -2 3 354.409 1.432 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000630422723 557908059 /nfs/dbraw/zinc/90/80/59/557908059.db2.gz NJMRJHSSHDYJIM-GXSJLCMTSA-N -2 3 354.211 1.904 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])s2)cs1 ZINC000521432228 568042361 /nfs/dbraw/zinc/04/23/61/568042361.db2.gz UFLGXBLQXRLVHQ-SSDOTTSWSA-N -2 3 350.418 1.881 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC000432122355 568412473 /nfs/dbraw/zinc/41/24/73/568412473.db2.gz LSHLBFRFLPDXME-UHFFFAOYSA-N -2 3 372.399 1.424 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000738139007 598856527 /nfs/dbraw/zinc/85/65/27/598856527.db2.gz JURCNGNDJRGUOT-UHFFFAOYSA-N -2 3 369.362 1.732 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000738139007 598856528 /nfs/dbraw/zinc/85/65/28/598856528.db2.gz JURCNGNDJRGUOT-UHFFFAOYSA-N -2 3 369.362 1.732 20 0 FDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737061601 598948121 /nfs/dbraw/zinc/94/81/21/598948121.db2.gz BFKPPEBAXRWEEZ-NSHDSACASA-N -2 3 353.404 1.186 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)o1 ZINC000821669884 607255601 /nfs/dbraw/zinc/25/56/01/607255601.db2.gz CKNOYPPGNUNSOA-UHFFFAOYSA-N -2 3 363.355 1.356 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)o1 ZINC000821669884 607255602 /nfs/dbraw/zinc/25/56/02/607255602.db2.gz CKNOYPPGNUNSOA-UHFFFAOYSA-N -2 3 363.355 1.356 20 0 FDADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737138820 598975799 /nfs/dbraw/zinc/97/57/99/598975799.db2.gz OSVAONVCZOQIRN-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737138820 598975802 /nfs/dbraw/zinc/97/58/02/598975802.db2.gz OSVAONVCZOQIRN-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CSC(C)C ZINC000737299983 598976858 /nfs/dbraw/zinc/97/68/58/598976858.db2.gz TUCTUBPNTVRKNP-UHFFFAOYSA-N -2 3 355.445 1.122 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CSC(C)C ZINC000737299983 598976859 /nfs/dbraw/zinc/97/68/59/598976859.db2.gz TUCTUBPNTVRKNP-UHFFFAOYSA-N -2 3 355.445 1.122 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC000735975299 599218326 /nfs/dbraw/zinc/21/83/26/599218326.db2.gz KOOSGVVNUQWMET-GFCCVEGCSA-N -2 3 374.426 1.266 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000735975299 599218328 /nfs/dbraw/zinc/21/83/28/599218328.db2.gz KOOSGVVNUQWMET-GFCCVEGCSA-N -2 3 374.426 1.266 20 0 FDADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736438348 599221066 /nfs/dbraw/zinc/22/10/66/599221066.db2.gz IPUSHEFKTPYXJR-PLNGDYQASA-N -2 3 355.807 1.681 20 0 FDADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736438348 599221067 /nfs/dbraw/zinc/22/10/67/599221067.db2.gz IPUSHEFKTPYXJR-PLNGDYQASA-N -2 3 355.807 1.681 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccc1 ZINC000737299509 599221203 /nfs/dbraw/zinc/22/12/03/599221203.db2.gz RAIWTUAGAULJOY-GFCCVEGCSA-N -2 3 374.426 1.433 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccc1 ZINC000737299509 599221205 /nfs/dbraw/zinc/22/12/05/599221205.db2.gz RAIWTUAGAULJOY-GFCCVEGCSA-N -2 3 374.426 1.433 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1F ZINC000769528558 597095343 /nfs/dbraw/zinc/09/53/43/597095343.db2.gz VIHJJUOIYVYYDR-SNVBAGLBSA-N -2 3 358.391 1.061 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821492741 607312477 /nfs/dbraw/zinc/31/24/77/607312477.db2.gz VMNZWNSQQCVSJD-UHFFFAOYSA-N -2 3 371.422 1.856 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821492741 607312478 /nfs/dbraw/zinc/31/24/78/607312478.db2.gz VMNZWNSQQCVSJD-UHFFFAOYSA-N -2 3 371.422 1.856 20 0 FDADHL O=C([O-])CCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000767129862 598165630 /nfs/dbraw/zinc/16/56/30/598165630.db2.gz HLLVOJILHKPMEP-UHFFFAOYSA-N -2 3 358.391 1.251 20 0 FDADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(=O)[O-])c1 ZINC000737248468 598297274 /nfs/dbraw/zinc/29/72/74/598297274.db2.gz FRWZSTDWGZLBCK-UHFFFAOYSA-N -3 3 374.382 1.378 20 0 FDADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(=O)[O-])c1 ZINC000737248468 598297275 /nfs/dbraw/zinc/29/72/75/598297275.db2.gz FRWZSTDWGZLBCK-UHFFFAOYSA-N -3 3 374.382 1.378 20 0 FDADHL O=S(=O)([N-]c1cccnc1N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738341034 598333274 /nfs/dbraw/zinc/33/32/74/598333274.db2.gz CPEGUXAMRKYINE-UHFFFAOYSA-N -2 3 371.426 1.663 20 0 FDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822206125 607357801 /nfs/dbraw/zinc/35/78/01/607357801.db2.gz VGTRVPSBNAFHKP-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822206125 607357803 /nfs/dbraw/zinc/35/78/03/607357803.db2.gz VGTRVPSBNAFHKP-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736940598 598627595 /nfs/dbraw/zinc/62/75/95/598627595.db2.gz MLWFEPCKEMUYSC-UHFFFAOYSA-N -2 3 362.371 1.091 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736940598 598627597 /nfs/dbraw/zinc/62/75/97/598627597.db2.gz MLWFEPCKEMUYSC-UHFFFAOYSA-N -2 3 362.371 1.091 20 0 FDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735953780 598733784 /nfs/dbraw/zinc/73/37/84/598733784.db2.gz KSJNUIZAMDEWSK-UHFFFAOYSA-N -2 3 362.371 1.097 20 0 FDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735953780 598733786 /nfs/dbraw/zinc/73/37/86/598733786.db2.gz KSJNUIZAMDEWSK-UHFFFAOYSA-N -2 3 362.371 1.097 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736423251 598784938 /nfs/dbraw/zinc/78/49/38/598784938.db2.gz MRKXVCRXZKRMSQ-LBPRGKRZSA-N -2 3 365.459 1.682 20 0 FDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736423251 598784940 /nfs/dbraw/zinc/78/49/40/598784940.db2.gz MRKXVCRXZKRMSQ-LBPRGKRZSA-N -2 3 365.459 1.682 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736421970 598785227 /nfs/dbraw/zinc/78/52/27/598785227.db2.gz DFWVEUGQJWIEIJ-LLVKDONJSA-N -2 3 351.432 1.291 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736421970 598785228 /nfs/dbraw/zinc/78/52/28/598785228.db2.gz DFWVEUGQJWIEIJ-LLVKDONJSA-N -2 3 351.432 1.291 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737547937 599314411 /nfs/dbraw/zinc/31/44/11/599314411.db2.gz OBPXBDRVWNYVOD-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737547937 599314414 /nfs/dbraw/zinc/31/44/14/599314414.db2.gz OBPXBDRVWNYVOD-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2cc[nH]c21 ZINC000823284848 599620310 /nfs/dbraw/zinc/62/03/10/599620310.db2.gz KTBYLSQCHFDUPI-UHFFFAOYSA-N -2 3 368.378 1.467 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2cc[nH]c21 ZINC000823284848 599620311 /nfs/dbraw/zinc/62/03/11/599620311.db2.gz KTBYLSQCHFDUPI-UHFFFAOYSA-N -2 3 368.378 1.467 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1Cc2ccccc21 ZINC000823284471 599620328 /nfs/dbraw/zinc/62/03/28/599620328.db2.gz HRVLJACMQIENDU-AWEZNQCLSA-N -2 3 355.379 1.012 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1Cc2ccccc21 ZINC000823284471 599620329 /nfs/dbraw/zinc/62/03/29/599620329.db2.gz HRVLJACMQIENDU-AWEZNQCLSA-N -2 3 355.379 1.012 20 0 FDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000819789749 599689405 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ZINC001593008811 980231866 /nfs/dbraw/zinc/23/18/66/980231866.db2.gz JKKMQBONPACMGJ-PVTPVBHGSA-N -2 3 373.365 1.871 20 0 FDADHL C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001593044208 980331988 /nfs/dbraw/zinc/33/19/88/980331988.db2.gz OIGLQAFNGSAZLE-VXGBXAGGSA-N -2 3 371.393 1.807 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)o1 ZINC000826272468 980717009 /nfs/dbraw/zinc/71/70/09/980717009.db2.gz LCINLTCOWBBNML-UHFFFAOYSA-N -2 3 365.419 1.829 20 0 FDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1N(C)C ZINC001595537994 981389688 /nfs/dbraw/zinc/38/96/88/981389688.db2.gz PJCNHEZTTFGAHQ-CQSZACIVSA-N -2 3 372.443 1.924 20 0 FDADHL CCC[C@@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001595560306 981447674 /nfs/dbraw/zinc/44/76/74/981447674.db2.gz ZZFBQBXKIBPRGG-MCMMXHMISA-N -2 3 366.436 1.760 20 0 FDADHL CCC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OCC ZINC001595594174 981560211 /nfs/dbraw/zinc/56/02/11/981560211.db2.gz MZGHMKPRCYZUHL-QMMMGPOBSA-N -2 3 350.418 1.099 20 0 FDADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc2oc1=O ZINC000826354513 982548822 /nfs/dbraw/zinc/54/88/22/982548822.db2.gz IGNDZXLQKNLZDZ-UHFFFAOYSA-N -2 3 372.366 1.112 20 0 FDADHL CCN(Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1)C1CC1 ZINC001596380471 983901481 /nfs/dbraw/zinc/90/14/81/983901481.db2.gz JCSMVXZAQDEQBA-UHFFFAOYSA-N -2 3 365.411 1.383 20 0 FDADHL CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC(C)C ZINC001596630705 984615747 /nfs/dbraw/zinc/61/57/47/984615747.db2.gz FMZYFPZULXMNAB-JTQLQIEISA-N -2 3 361.420 1.002 20 0 FDADHL C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(Br)ccc1[O-] ZINC001594520617 985981002 /nfs/dbraw/zinc/98/10/02/985981002.db2.gz XFEBJAWHZJEPSL-JTQLQIEISA-N -2 3 371.231 1.776 20 0 FDADHL CCS(=O)(CC)=NS(=O)(=O)[N-]CCCCC1(C(=O)[O-])CCC1 ZINC001597246123 987227305 /nfs/dbraw/zinc/22/73/05/987227305.db2.gz RCQJBMDCHKIRHU-UHFFFAOYSA-N -2 3 354.494 1.754 20 0 FDADHL CSc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C(=O)[O-] ZINC001599816895 988441785 /nfs/dbraw/zinc/44/17/85/988441785.db2.gz FEHDCEPEMLJLDA-UHFFFAOYSA-N -2 3 356.367 1.934 20 0 FDADHL CSc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C(=O)[O-] ZINC001599816895 988441790 /nfs/dbraw/zinc/44/17/90/988441790.db2.gz FEHDCEPEMLJLDA-UHFFFAOYSA-N -2 3 356.367 1.934 20 0 FDADHL CSc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001599818276 988466509 /nfs/dbraw/zinc/46/65/09/988466509.db2.gz DILGMROWQNQYAV-VIFPVBQESA-N -2 3 350.400 1.740 20 0 FDADHL CSc1ccc([O-])c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001599820005 988496259 /nfs/dbraw/zinc/49/62/59/988496259.db2.gz NJJXTKLCFRSZQQ-KRWDZBQOSA-N -2 3 366.439 1.116 20 0 FDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)n1cccn1 ZINC001590771080 990573280 /nfs/dbraw/zinc/57/32/80/990573280.db2.gz JUZUHVGKRHWPNK-UHFFFAOYSA-N -2 3 359.354 1.573 20 0 FDADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(=O)[O-] ZINC001590777043 990580877 /nfs/dbraw/zinc/58/08/77/990580877.db2.gz RLNLBXACXGDQDZ-UHFFFAOYSA-N -3 3 367.782 1.957 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H](CO)C(C)C ZINC001590987341 991171490 /nfs/dbraw/zinc/17/14/90/991171490.db2.gz BWKATUCIAHEBKG-VHSXEESVSA-N -2 3 350.462 1.409 20 0 FDADHL CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC001590987340 991171601 /nfs/dbraw/zinc/17/16/01/991171601.db2.gz BWKATUCIAHEBKG-UWVGGRQHSA-N -2 3 350.462 1.409 20 0 FDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccnc1 ZINC001590989392 991197934 /nfs/dbraw/zinc/19/79/34/991197934.db2.gz IXUXMYBLSGVLAM-NSHDSACASA-N -2 3 355.441 1.954 20 0 FDADHL COc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC001599735513 991768856 /nfs/dbraw/zinc/76/88/56/991768856.db2.gz YGMJSWAOHKFWGN-JOYOIKCWSA-N -2 3 356.425 1.892 20 0 FDADHL CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H](C(=O)[O-])C1 ZINC001598556246 993060437 /nfs/dbraw/zinc/06/04/37/993060437.db2.gz YITYQLXOAUAMSL-CZUORRHYSA-N -2 3 373.409 1.518 20 0 FDADHL COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C2 ZINC001599627040 994163295 /nfs/dbraw/zinc/16/32/95/994163295.db2.gz AMTCYAPDAMVVMZ-LLVKDONJSA-N -2 3 368.436 1.686 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001593347463 994957599 /nfs/dbraw/zinc/95/75/99/994957599.db2.gz LRHVQTHBSHRMHR-PJLCYMMNSA-N -2 3 374.465 1.618 20 0 FDADHL COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598688037 995024082 /nfs/dbraw/zinc/02/40/82/995024082.db2.gz LPNKNTXPIANYBW-ZCFIWIBFSA-N -2 3 353.755 1.265 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc(C)c(C)c1 ZINC001598708565 995319839 /nfs/dbraw/zinc/31/98/39/995319839.db2.gz FSMLRNZTYDNFBL-CYBMUJFWSA-N -2 3 355.412 1.302 20 0 FDADHL COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001598712375 995362821 /nfs/dbraw/zinc/36/28/21/995362821.db2.gz KZWUGRYTCUEOIY-HNNXBMFYSA-N -2 3 369.377 1.988 20 0 FDADHL COC(=O)C1([N-]S(=O)(=O)CC=C(Cl)Cl)CCC(C(=O)[O-])CC1 ZINC001598725333 995513176 /nfs/dbraw/zinc/51/31/76/995513176.db2.gz YBRSWQUYCTVWKK-UHFFFAOYSA-N -2 3 374.242 1.411 20 0 FDADHL C[C@H](Oc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1F)C(=O)[O-] ZINC001593629818 995911708 /nfs/dbraw/zinc/91/17/08/995911708.db2.gz VCGNGYUBMVGNFP-UWVGGRQHSA-N -2 3 366.349 1.311 20 0 FDADHL COC(=O)[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001598793021 996089705 /nfs/dbraw/zinc/08/97/05/996089705.db2.gz OFZJVQKXLKCJSP-GXTWGEPZSA-N -2 3 367.373 1.719 20 0 FDADHL COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598832297 996449281 /nfs/dbraw/zinc/44/92/81/996449281.db2.gz URZUNVYAOLDQGO-SDLBARTOSA-N -2 3 365.766 1.573 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])c1cccc(OC)c1 ZINC001599177809 996885204 /nfs/dbraw/zinc/88/52/04/996885204.db2.gz GNGKNEIKXKRLDM-CYBMUJFWSA-N -2 3 355.368 1.652 20 0 FDADHL CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593959830 997074671 /nfs/dbraw/zinc/07/46/71/997074671.db2.gz WWOHXJDWQULTDJ-LLVKDONJSA-N -2 3 351.783 1.881 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598914110 997424819 /nfs/dbraw/zinc/42/48/19/997424819.db2.gz MTHHVTUARLYXPN-ZJUUUORDSA-N -2 3 359.375 1.534 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)cc1F ZINC001599424850 997656410 /nfs/dbraw/zinc/65/64/10/997656410.db2.gz XKHLIIVBCBMCOS-LBPRGKRZSA-N -2 3 353.368 1.212 20 0 FDADHL COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599534129 997712366 /nfs/dbraw/zinc/71/23/66/997712366.db2.gz NAFIJCSFUCSBQY-GFCCVEGCSA-N -2 3 355.368 1.307 20 0 FDADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC001594052164 997754178 /nfs/dbraw/zinc/75/41/78/997754178.db2.gz MRTQAEUETSTVLE-OAHLLOKOSA-N -2 3 360.332 1.907 20 0 FDADHL COc1cc(OC)cc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001599453327 998143993 /nfs/dbraw/zinc/14/39/93/998143993.db2.gz LQURGLVBNILSTQ-GFCCVEGCSA-N -2 3 371.367 1.007 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1 ZINC001598977230 998613917 /nfs/dbraw/zinc/61/39/17/998613917.db2.gz QJXVNPFQQLCCCN-XZUYRWCXSA-N -2 3 371.386 1.390 20 0 FDADHL COC(=O)c1sc2[n-]c(Cn3cc(C(=O)[O-])nc3C)nc(=O)c2c1C ZINC001599022265 998989809 /nfs/dbraw/zinc/98/98/09/998989809.db2.gz UYPRQSSFAQTNCC-UHFFFAOYSA-N -2 3 362.367 1.331 20 0 FDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)N1CCC(C)CC1 ZINC001594421905 999571547 /nfs/dbraw/zinc/57/15/47/999571547.db2.gz HAVZFEQZKZJRGD-ZDUSSCGKSA-N -2 3 359.448 1.408 20 0 FDADHL O=C(CN1CCN(C(=O)c2ccc([O-])cc2)CC1)[N-]OCc1ccccc1 ZINC000270779440 999612995 /nfs/dbraw/zinc/61/29/95/999612995.db2.gz JPAVFSHFIVIHHK-UHFFFAOYSA-N -2 3 369.421 1.398 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)co1 ZINC000646464980 1008802777 /nfs/dbraw/zinc/80/27/77/1008802777.db2.gz FANVMZGBWGATHM-UHFFFAOYSA-N -2 3 362.367 1.536 20 0 FDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000230101378 178274195 /nfs/dbraw/zinc/27/41/95/178274195.db2.gz BYXCUXPZBCHXNH-HTQZYQBOSA-N -2 3 364.192 1.896 20 0 FDADHL C[C@]1(c2cccc(NC(=O)c3ccc(C(=O)[O-])nc3)c2)NC(=O)[N-]C1=O ZINC000512328854 538972194 /nfs/dbraw/zinc/97/21/94/538972194.db2.gz NZXHLMRHJSAXJU-QGZVFWFLSA-N -2 3 354.322 1.087 20 0 FDADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cccnc2C(=O)[O-])C2CC2)n1 ZINC000514670302 539015607 /nfs/dbraw/zinc/01/56/07/539015607.db2.gz RXMBEEYHVDUQTE-LLVKDONJSA-N -2 3 353.425 1.974 20 0 FDADHL CCC(CC)(CC(=O)[O-])NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000262035971 178661721 /nfs/dbraw/zinc/66/17/21/178661721.db2.gz BUPMHNGPXYQLNI-UHFFFAOYSA-N -2 3 361.398 1.230 20 0 FDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000519245197 539478725 /nfs/dbraw/zinc/47/87/25/539478725.db2.gz UIXXTKNSRPSIOP-UHFFFAOYSA-N -2 3 362.379 1.674 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000527205840 539700135 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O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823285343 606205982 /nfs/dbraw/zinc/20/59/82/606205982.db2.gz QPSCFXCNLMFLBF-WDNDVIMCSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823284132 606205996 /nfs/dbraw/zinc/20/59/96/606205996.db2.gz DFTJEXIPVQGIIE-WDNDVIMCSA-N -2 3 361.427 1.249 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823284132 606205997 /nfs/dbraw/zinc/20/59/97/606205997.db2.gz DFTJEXIPVQGIIE-WDNDVIMCSA-N -2 3 361.427 1.249 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(F)c(F)cc1F ZINC000823583082 606212523 /nfs/dbraw/zinc/21/25/23/606212523.db2.gz HDCPFNAFQXWIJI-UHFFFAOYSA-N -2 3 371.300 1.790 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820675168 606626630 /nfs/dbraw/zinc/62/66/30/606626630.db2.gz ICKXBSZXUHDHQW-ZGSOTFDTSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820675168 606626632 /nfs/dbraw/zinc/62/66/32/606626632.db2.gz ICKXBSZXUHDHQW-ZGSOTFDTSA-N -2 3 361.427 1.559 20 0 FDADHL O=S(=O)([N-]Cc1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578190 606883513 /nfs/dbraw/zinc/88/35/13/606883513.db2.gz JMUXKZACEBEROM-UHFFFAOYSA-N -2 3 352.326 1.018 20 0 FDADHL O=S(=O)([N-]CCCOCC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572344 606885612 /nfs/dbraw/zinc/88/56/12/606885612.db2.gz GUKGIWDWPBWSQB-UHFFFAOYSA-N -2 3 373.385 1.240 20 0 FDADHL O=S(=O)([N-][C@@H]1CCCSC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573231 606895217 /nfs/dbraw/zinc/89/52/17/606895217.db2.gz SOMOOUFKRLGTPI-MRVPVSSYSA-N -2 3 361.399 1.319 20 0 FDADHL COCc1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821696066 607026013 /nfs/dbraw/zinc/02/60/13/607026013.db2.gz UYQPGMCKRAOARD-UHFFFAOYSA-N -2 3 352.401 1.270 20 0 FDADHL O=C([O-])CN(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387545 607103905 /nfs/dbraw/zinc/10/39/05/607103905.db2.gz OHZJOGXHTWRPDX-UHFFFAOYSA-N -2 3 367.365 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1.134 20 0 FDADHL O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926097 952830115 /nfs/dbraw/zinc/83/01/15/952830115.db2.gz CROIHRQMUHUWSF-UHFFFAOYSA-N -2 3 360.351 1.676 20 0 FDADHL CC(C)(CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)[O-] ZINC001602939664 971906749 /nfs/dbraw/zinc/90/67/49/971906749.db2.gz VUNHMOUDKNQGIH-UHFFFAOYSA-N -2 3 363.345 1.105 20 0 FDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001589279258 953479241 /nfs/dbraw/zinc/47/92/41/953479241.db2.gz KTYYBPPARMYWMZ-DTWKUNHWSA-N -2 3 350.321 1.989 20 0 FDADHL CCC(CC)(C[N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001589506972 955039743 /nfs/dbraw/zinc/03/97/43/955039743.db2.gz LGFNJAONWDVXEW-UHFFFAOYSA-N -2 3 368.253 1.352 20 0 FDADHL Cn1c2cc([O-])c(NC(=O)C3(C(=O)[O-])CCCCCC3)cc2n(C)c1=O ZINC001594517180 955418798 /nfs/dbraw/zinc/41/87/98/955418798.db2.gz DFJUFBXKJGVTLW-UHFFFAOYSA-N -2 3 361.398 1.946 20 0 FDADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(I)cc1[O-] ZINC001593930054 956163889 /nfs/dbraw/zinc/16/38/89/956163889.db2.gz KJNZOZYGBLTQOY-LLVKDONJSA-N -2 3 365.123 1.425 20 0 FDADHL COc1ccc(C(=O)[N-]C(=O)CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001594078065 958233207 /nfs/dbraw/zinc/23/32/07/958233207.db2.gz INKFDPOVRAWXIA-QGZVFWFLSA-N -2 3 368.389 1.636 20 0 FDADHL C[S@@](=O)(=NS(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC001594162317 958911434 /nfs/dbraw/zinc/91/14/34/958911434.db2.gz OECHECVMDURFJH-FXFPPZPYSA-N -2 3 366.505 1.895 20 0 FDADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594430113 959167970 /nfs/dbraw/zinc/16/79/70/959167970.db2.gz BLCAQDMPNBMBKP-NSHDSACASA-N -2 3 355.803 1.413 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)OC ZINC001259221675 960681410 /nfs/dbraw/zinc/68/14/10/960681410.db2.gz PSVKOPJKBRQQGP-SECBINFHSA-N -2 3 353.755 1.407 20 0 FDADHL COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259223276 960689101 /nfs/dbraw/zinc/68/91/01/960689101.db2.gz WNJNLDZDPWXANX-KNVOCYPGSA-N -2 3 365.766 1.407 20 0 FDADHL O=C([O-])[C@@]1([N-]C(=O)C(F)(F)c2ccccc2Br)CCOC1 ZINC001574640344 962342608 /nfs/dbraw/zinc/34/26/08/962342608.db2.gz PWVSBJNUFVWXAE-GFCCVEGCSA-N -2 3 364.142 1.901 20 0 FDADHL CCc1nc2cccc(F)c2n1CC(=O)NCCCCP(=O)([O-])[O-] ZINC001185013253 963778182 /nfs/dbraw/zinc/77/81/82/963778182.db2.gz GJNAZGODPQKHPZ-UHFFFAOYSA-N -2 3 357.322 1.812 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CO)c2C)cc1C(=O)[O-] ZINC001185307020 963907254 /nfs/dbraw/zinc/90/72/54/963907254.db2.gz ORQGXBNDPUVGBI-UHFFFAOYSA-N -2 3 351.380 1.995 20 0 FDADHL O=S(=O)([N-]c1ccncc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC001185555559 963974528 /nfs/dbraw/zinc/97/45/28/963974528.db2.gz AJQLZWFJAPADDO-UHFFFAOYSA-N -2 3 370.316 1.503 20 0 FDADHL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185604875 964001505 /nfs/dbraw/zinc/00/15/05/964001505.db2.gz QAYROXFYMCXALJ-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185604875 964001516 /nfs/dbraw/zinc/00/15/16/964001516.db2.gz QAYROXFYMCXALJ-UHFFFAOYSA-N -2 3 373.394 1.879 20 0 FDADHL COc1ccc(CO)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185610264 964003692 /nfs/dbraw/zinc/00/36/92/964003692.db2.gz XESYCQIRMYVMCP-UHFFFAOYSA-N -2 3 361.383 1.168 20 0 FDADHL CC(C)(C)OC(=O)N1CC(F)(C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178554935 964302448 /nfs/dbraw/zinc/30/24/48/964302448.db2.gz STKJOSOPGINXNP-UHFFFAOYSA-N -2 3 354.315 1.020 20 0 FDADHL COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144231 964320241 /nfs/dbraw/zinc/32/02/41/964320241.db2.gz ZWUHNFAACNYOJM-UHFFFAOYSA-N -2 3 361.738 1.777 20 0 FDADHL CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-])C1COC1 ZINC001193268985 969598358 /nfs/dbraw/zinc/59/83/58/969598358.db2.gz IXAMGMXMDIQMMZ-UHFFFAOYSA-N -2 3 362.407 1.664 20 0 FDADHL COC(=O)c1ccc(C)c(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001193449759 969689251 /nfs/dbraw/zinc/68/92/51/969689251.db2.gz HXVGLOMPBBGYDG-UHFFFAOYSA-N -2 3 365.344 1.018 20 0 FDADHL N=C(NC(=O)c1ccc([O-])cc1C(F)(F)F)SCCS(=O)(=O)[O-] ZINC001193758244 969860216 /nfs/dbraw/zinc/86/02/16/969860216.db2.gz NGJKBPGYUGZCDQ-UHFFFAOYSA-N -2 3 372.346 1.697 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2F)c(Cl)cc1F ZINC001194029943 969961027 /nfs/dbraw/zinc/96/10/27/969961027.db2.gz AUBXKVUEUFOYCO-UWVGGRQHSA-N -2 3 355.746 1.583 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cncc(OCC(F)(F)F)n1 ZINC001198002442 972626831 /nfs/dbraw/zinc/62/68/31/972626831.db2.gz GFVZMTUQXGCJAC-UHFFFAOYSA-N -2 3 357.225 1.105 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)n1 ZINC001605093181 972747260 /nfs/dbraw/zinc/74/72/60/972747260.db2.gz XJYWPJYNFNYWCL-YPMHNXCESA-N -2 3 350.419 1.323 20 0 FDADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCC1CCC1 ZINC001605974860 972998513 /nfs/dbraw/zinc/99/85/13/972998513.db2.gz ZKSAREQSPKSUDG-NEPJUHHUSA-N -2 3 352.353 1.399 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC001604411199 973169868 /nfs/dbraw/zinc/16/98/68/973169868.db2.gz UCVOJSLZUPQMGA-SFYZADRCSA-N -2 3 362.791 1.053 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001605393460 973366890 /nfs/dbraw/zinc/36/68/90/973366890.db2.gz JWOFMRRVHLQBSF-UHFFFAOYSA-N -2 3 365.349 1.415 20 0 FDADHL O=C([N-]C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ncc[n-]1)C(F)(F)F ZINC000867420104 975219312 /nfs/dbraw/zinc/21/93/12/975219312.db2.gz DAMKXJKWMOUTLE-SNVBAGLBSA-N -2 3 374.344 1.208 20 0 FDADHL CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C(=O)[O-])C(C)C)cc1 ZINC001591788351 975971375 /nfs/dbraw/zinc/97/13/75/975971375.db2.gz CQHHJEQRLXGEPB-HNNXBMFYSA-N -2 3 373.427 1.868 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2F)c(F)c1 ZINC000867614829 976512528 /nfs/dbraw/zinc/51/25/28/976512528.db2.gz OGADGKOWYDFNPS-CMPLNLGQSA-N -2 3 368.427 1.756 20 0 FDADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848678470 976995262 /nfs/dbraw/zinc/99/52/62/976995262.db2.gz DTINHLCFIGTQTB-JTQLQIEISA-N -2 3 361.391 1.700 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000849218599 977366424 /nfs/dbraw/zinc/36/64/24/977366424.db2.gz CRUIMHWZGDEGRN-SKDRFNHKSA-N -2 3 371.846 1.917 20 0 FDADHL C[C@@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592434144 978072048 /nfs/dbraw/zinc/07/20/48/978072048.db2.gz UHJKMRVRIBMAOV-NSHDSACASA-N -2 3 367.379 1.778 20 0 FDADHL C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592439989 978094611 /nfs/dbraw/zinc/09/46/11/978094611.db2.gz SKCLCYQYCRUNSI-VIFPVBQESA-N -2 3 354.409 1.781 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@]2(O)CCCc3ccccc32)c1 ZINC000829279723 978996749 /nfs/dbraw/zinc/99/67/49/978996749.db2.gz XAPXIDHBWRQJKP-MRXNPFEDSA-N -2 3 351.380 1.480 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)oc1C ZINC000831343559 979030266 /nfs/dbraw/zinc/03/02/66/979030266.db2.gz LQKUPRWNSDQWLN-UHFFFAOYSA-N -2 3 359.400 1.831 20 0 FDADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000832379565 979044893 /nfs/dbraw/zinc/04/48/93/979044893.db2.gz LZTQGIRZLOBTNJ-ZDUSSCGKSA-N -2 3 352.343 1.029 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1cccnc1 ZINC000776547979 979049120 /nfs/dbraw/zinc/04/91/20/979049120.db2.gz VAEBCSUGIPRZAC-LLVKDONJSA-N -2 3 355.803 1.352 20 0 FDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)cc2C)c1C(=O)[O-] ZINC000833748749 979237129 /nfs/dbraw/zinc/23/71/29/979237129.db2.gz RYAYBKGYRNXPCH-LLVKDONJSA-N -2 3 351.428 1.943 20 0 FDADHL O=C([O-])[C@@H](CC(F)F)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000851607519 979533749 /nfs/dbraw/zinc/53/37/49/979533749.db2.gz NJTDEJHMRNHVLC-SECBINFHSA-N -2 3 360.267 1.719 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001595169684 979730460 /nfs/dbraw/zinc/73/04/60/979730460.db2.gz DJBBCXVZIUXZON-ZCFIWIBFSA-N -3 3 353.755 1.566 20 0 FDADHL C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592898771 979809997 /nfs/dbraw/zinc/80/99/97/979809997.db2.gz 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C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC001588662179 983788837 /nfs/dbraw/zinc/78/88/37/983788837.db2.gz YJIPNXKISNRFNT-ZDUSSCGKSA-N -2 3 350.371 1.467 20 0 FDADHL CCOC(=O)[C@](C)([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001596517777 984306152 /nfs/dbraw/zinc/30/61/52/984306152.db2.gz ZSTRNPPDBYLUCS-MRXNPFEDSA-N -2 3 357.428 1.495 20 0 FDADHL CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596527205 984340902 /nfs/dbraw/zinc/34/09/02/984340902.db2.gz VRUHNUWDOVKFJG-BDAKNGLRSA-N -2 3 364.445 1.488 20 0 FDADHL CCOC(=O)C1(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2ccccn2)CCC1 ZINC001596562777 984441293 /nfs/dbraw/zinc/44/12/93/984441293.db2.gz CSGRZSCRKUMWMD-OAHLLOKOSA-N -2 3 370.427 1.177 20 0 FDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCCC1 ZINC001596696892 984845775 /nfs/dbraw/zinc/84/57/75/984845775.db2.gz WZMQWWQIXCSVEO-NSHDSACASA-N -2 3 373.431 1.207 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001596723985 984974461 /nfs/dbraw/zinc/97/44/61/984974461.db2.gz VTJWRMHMZILURY-CMPLNLGQSA-N -2 3 359.375 1.534 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c[n-]1 ZINC001596749909 985093011 /nfs/dbraw/zinc/09/30/11/985093011.db2.gz NVLVYOCBMHGKGI-UHFFFAOYSA-N -3 3 357.319 1.225 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCS1 ZINC000826450139 985526248 /nfs/dbraw/zinc/52/62/48/985526248.db2.gz YIMMODDHYJDIEU-GFCCVEGCSA-N -2 3 367.456 1.098 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCS1 ZINC000826450139 985526260 /nfs/dbraw/zinc/52/62/60/985526260.db2.gz YIMMODDHYJDIEU-GFCCVEGCSA-N -2 3 367.456 1.098 20 0 FDADHL C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2occc2C(=O)[O-])C[C@@H](C)O1 ZINC001594501032 985682567 /nfs/dbraw/zinc/68/25/67/985682567.db2.gz YGDRGWOIMAZJKZ-GHMZBOCLSA-N -2 3 360.432 1.144 20 0 FDADHL Cc1c(Br)ccc([O-])c1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599971403 986011766 /nfs/dbraw/zinc/01/17/66/986011766.db2.gz QSLJCCPKWZAOAX-UHFFFAOYSA-N -2 3 354.160 1.997 20 0 FDADHL CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC001589297791 986047012 /nfs/dbraw/zinc/04/70/12/986047012.db2.gz UMXVWPNEBRTXQL-JTQLQIEISA-N -2 3 357.281 1.712 20 0 FDADHL C[C@@H](NC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001589423832 986683949 /nfs/dbraw/zinc/68/39/49/986683949.db2.gz WCRREPCMCOCWKQ-LWLAVISCSA-N -2 3 374.437 1.750 20 0 FDADHL CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001590133705 989381520 /nfs/dbraw/zinc/38/15/20/989381520.db2.gz QBYNUUVDJUSOLQ-UHFFFAOYSA-N -2 3 360.388 1.313 20 0 FDADHL CN(C)C(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001598157547 990653962 /nfs/dbraw/zinc/65/39/62/990653962.db2.gz KCUQZBYNQFWHKN-UHFFFAOYSA-N -2 3 366.395 1.201 20 0 FDADHL COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599701990 991233797 /nfs/dbraw/zinc/23/37/97/991233797.db2.gz INTHCJWQGTYGTN-LRDDRELGSA-N -2 3 365.411 1.433 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825804897 991871371 /nfs/dbraw/zinc/87/13/71/991871371.db2.gz JPHFORDWXKTZTC-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825804897 991871379 /nfs/dbraw/zinc/87/13/79/991871379.db2.gz JPHFORDWXKTZTC-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CS(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599748661 991962342 /nfs/dbraw/zinc/96/23/42/991962342.db2.gz NKDUXHVMXUKELQ-GFCCVEGCSA-N -2 3 373.408 1.042 20 0 FDADHL CS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccccc2)c1 ZINC001599767119 992195478 /nfs/dbraw/zinc/19/54/78/992195478.db2.gz CCLMYPFYWAZHIY-UHFFFAOYSA-N -2 3 369.420 1.730 20 0 FDADHL CC(C)C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC(C)C ZINC001591471856 992586839 /nfs/dbraw/zinc/58/68/39/992586839.db2.gz YWGFGMGYLBAPRJ-VIFPVBQESA-N -2 3 364.445 1.486 20 0 FDADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N(C)C)c1 ZINC001599657127 994599717 /nfs/dbraw/zinc/59/97/17/994599717.db2.gz HWVDFAQWWJPYPP-AWEZNQCLSA-N -2 3 368.411 1.568 20 0 FDADHL C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cc(C(=O)[O-])co1 ZINC001593273861 994621694 /nfs/dbraw/zinc/62/16/94/994621694.db2.gz ZIDXPBBIEITLFO-SECBINFHSA-N -2 3 374.365 1.885 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC001593347563 994959035 /nfs/dbraw/zinc/95/90/35/994959035.db2.gz PADLBFLSPQPJKY-ONGXEEELSA-N -2 3 356.425 1.112 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1OCCc2sccc21 ZINC001593348141 994964296 /nfs/dbraw/zinc/96/42/96/994964296.db2.gz XVLZJQPBPSOCTP-JMCQJSRRSA-N -2 3 374.465 1.884 20 0 FDADHL COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598832295 996449431 /nfs/dbraw/zinc/44/94/31/996449431.db2.gz URZUNVYAOLDQGO-KFOINNEUSA-N -2 3 365.766 1.573 20 0 FDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccs1 ZINC001598840608 996522359 /nfs/dbraw/zinc/52/23/59/996522359.db2.gz SKGYCRVQKRUVPH-MRVPVSSYSA-N -2 3 373.412 1.061 20 0 FDADHL COc1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc(OC)c1[O-] ZINC001599350612 998086805 /nfs/dbraw/zinc/08/68/05/998086805.db2.gz FKGVRDCOULZWIF-UHFFFAOYSA-N -2 3 360.366 1.922 20 0 FDADHL COc1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc(OC)c1[O-] ZINC001599353918 998145499 /nfs/dbraw/zinc/14/54/99/998145499.db2.gz QQOLALFRVLQUOZ-UHFFFAOYSA-N -2 3 361.350 1.803 20 0 FDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594114194 998234958 /nfs/dbraw/zinc/23/49/58/998234958.db2.gz SWMFBUBRECYDHU-CYBMUJFWSA-N -2 3 373.413 1.619 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1 ZINC001599577102 998461735 /nfs/dbraw/zinc/46/17/35/998461735.db2.gz HKOULPIFZVVPJT-XVKPBYJWSA-N -2 3 355.746 1.593 20 0 FDADHL COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])o1 ZINC001598975831 998599260 /nfs/dbraw/zinc/59/92/60/998599260.db2.gz QQRMCZIDBMKGKR-UHFFFAOYSA-N -2 3 373.770 1.896 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC001598977225 998613892 /nfs/dbraw/zinc/61/38/92/998613892.db2.gz QDCYIDKYNWNARQ-FEUHOPSXSA-N -2 3 357.359 1.144 20 0 FDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)c2ncnn21 ZINC001594263707 999017440 /nfs/dbraw/zinc/01/74/40/999017440.db2.gz DHHGKPTWIWQIHA-HZGVNTEJSA-N -2 3 374.781 1.753 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)Cc1ccccc1 ZINC001599054570 999220410 /nfs/dbraw/zinc/22/04/10/999220410.db2.gz UYCFMCDXGWRWAU-CYBMUJFWSA-N -2 3 353.396 1.822 20 0 FDADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001599057458 999240341 /nfs/dbraw/zinc/24/03/41/999240341.db2.gz FRUUDBAUFYYVFL-LBPRGKRZSA-N -2 3 354.384 1.050 20 0 FDADHL C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594365354 999380208 /nfs/dbraw/zinc/38/02/08/999380208.db2.gz GDRVHOVSAGPXOS-ITMQWJFKSA-N -2 3 352.431 1.179 20 0 FDADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000508210442 538928869 /nfs/dbraw/zinc/92/88/69/538928869.db2.gz VKRYINKNVCMGHP-UHFFFAOYSA-N -2 3 364.445 1.986 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c1 ZINC000237963558 178340193 /nfs/dbraw/zinc/34/01/93/178340193.db2.gz RTFKKJSPSRTAOH-UHFFFAOYSA-N -2 3 355.441 1.500 20 0 FDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000517729615 539379117 /nfs/dbraw/zinc/37/91/17/539379117.db2.gz BZPCFSZSKYSCGF-SECBINFHSA-N -2 3 369.317 1.528 20 0 FDADHL C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000268900767 180176434 /nfs/dbraw/zinc/17/64/34/180176434.db2.gz DTCSWZAZPVRTRN-VIFPVBQESA-N -2 3 360.407 1.353 20 0 FDADHL CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000268942355 180184797 /nfs/dbraw/zinc/18/47/97/180184797.db2.gz MKSCKZKZVJSOQP-ZDUSSCGKSA-N -2 3 374.434 1.742 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)s1 ZINC000530149043 539896105 /nfs/dbraw/zinc/89/61/05/539896105.db2.gz BYBMMSJXPCPGAD-QMMMGPOBSA-N -2 3 369.346 1.725 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2Cl)nc1C ZINC000530142113 539893570 /nfs/dbraw/zinc/89/35/70/539893570.db2.gz VMCFUAAHFMHYQY-ZDUSSCGKSA-N -2 3 357.819 1.969 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000531744177 540114491 /nfs/dbraw/zinc/11/44/91/540114491.db2.gz SGSOVIAIYPMACU-VIFPVBQESA-N -2 3 354.409 1.752 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000274879354 181184574 /nfs/dbraw/zinc/18/45/74/181184574.db2.gz CIWRKWNDBUFXGF-VIFPVBQESA-N -2 3 352.206 1.599 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(C)o1 ZINC000274893253 181187667 /nfs/dbraw/zinc/18/76/67/181187667.db2.gz GHIGPLTYGBBPJZ-SNVBAGLBSA-N -2 3 373.408 1.930 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000274916724 181193754 /nfs/dbraw/zinc/19/37/54/181193754.db2.gz LVMXPIGOSNIDSX-LLVKDONJSA-N -2 3 365.835 1.897 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000274960535 181206775 /nfs/dbraw/zinc/20/67/75/181206775.db2.gz HOKBMFJZDKPVND-SSDOTTSWSA-N -2 3 351.402 1.075 20 0 FDADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000275006734 181216569 /nfs/dbraw/zinc/21/65/69/181216569.db2.gz MRURTGXPJOGMPC-LBPRGKRZSA-N -2 3 371.846 1.604 20 0 FDADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000275170169 181253434 /nfs/dbraw/zinc/25/34/34/181253434.db2.gz BYPMBTCMZSHMQA-SECBINFHSA-N -2 3 370.210 1.678 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000275220784 181263620 /nfs/dbraw/zinc/26/36/20/181263620.db2.gz IMDGMACSFMZYPW-JTQLQIEISA-N -2 3 365.791 1.033 20 0 FDADHL COc1cccc([C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C(=O)[O-])c1 ZINC000275369205 181301636 /nfs/dbraw/zinc/30/16/36/181301636.db2.gz YJOFEGRTKBULLB-NSHDSACASA-N -2 3 373.818 1.495 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c([O-])c1 ZINC000540024476 541020120 /nfs/dbraw/zinc/02/01/20/541020120.db2.gz JXKPMQBALQBVLI-UHFFFAOYSA-N -2 3 370.321 1.571 20 0 FDADHL C[C@]1(c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O ZINC000542781450 541468610 /nfs/dbraw/zinc/46/86/10/541468610.db2.gz WYNGTNBJDWLMTR-LDLUMPKVSA-N -2 3 359.382 1.571 20 0 FDADHL CCc1ccccc1S(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000283785557 182274597 /nfs/dbraw/zinc/27/45/97/182274597.db2.gz DPAWIADQMIPLPX-UHFFFAOYSA-N -2 3 366.395 1.951 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)n1 ZINC000284105862 182366469 /nfs/dbraw/zinc/36/64/69/182366469.db2.gz SKAHGPOWUFVSQM-UHFFFAOYSA-N -2 3 353.400 1.907 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(=O)NC2CCCCC2)c1 ZINC000545545636 541997081 /nfs/dbraw/zinc/99/70/81/541997081.db2.gz LOJVEABYJLYFKM-UHFFFAOYSA-N -2 3 372.418 1.560 20 0 FDADHL CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000545547607 541997339 /nfs/dbraw/zinc/99/73/39/541997339.db2.gz JBMZITACPRISKW-UHFFFAOYSA-N -2 3 368.436 1.327 20 0 FDADHL Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000295515264 184079253 /nfs/dbraw/zinc/07/92/53/184079253.db2.gz HYHPHJAANZFYBE-SNVBAGLBSA-N -2 3 357.414 1.301 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)CC(=O)[O-] ZINC000296781501 184200004 /nfs/dbraw/zinc/20/00/04/184200004.db2.gz AEKITVFLYWNRED-ZCFIWIBFSA-N -2 3 371.640 1.887 20 0 FDADHL C[C@H]1CN(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000298114270 184395048 /nfs/dbraw/zinc/39/50/48/184395048.db2.gz OMHQSFDENSPNHA-QWRGUYRKSA-N -2 3 362.473 1.224 20 0 FDADHL C[C@H]1CN(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000298116297 184395652 /nfs/dbraw/zinc/39/56/52/184395652.db2.gz QCWXGAIQJJGQED-RYUDHWBXSA-N -2 3 374.434 1.302 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C(=O)[O-])n1 ZINC000547552060 542371210 /nfs/dbraw/zinc/37/12/10/542371210.db2.gz AVWWGZNVLSYWHW-CYBMUJFWSA-N -2 3 359.354 1.210 20 0 FDADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-] ZINC000547572977 542379455 /nfs/dbraw/zinc/37/94/55/542379455.db2.gz SFGHAQUJEOPHED-JTQLQIEISA-N -2 3 355.372 1.634 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c(F)cc1F ZINC000547612978 542391168 /nfs/dbraw/zinc/39/11/68/542391168.db2.gz UTWKPDCNCATLEK-ZDUSSCGKSA-N -3 3 351.327 1.117 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000547593998 542385612 /nfs/dbraw/zinc/38/56/12/542385612.db2.gz JTEADYRFBZPVRD-JTQLQIEISA-N -2 3 366.392 1.609 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cn1C ZINC000547595407 542386584 /nfs/dbraw/zinc/38/65/84/542386584.db2.gz KPVZOTVLGNPVGQ-XWWZASNVSA-N -2 3 367.471 1.676 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1F ZINC000547886260 542477164 /nfs/dbraw/zinc/47/71/64/542477164.db2.gz TWVZCXKLZIMSRB-GFCCVEGCSA-N -2 3 355.391 1.089 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])s1 ZINC000547892403 542479525 /nfs/dbraw/zinc/47/95/25/542479525.db2.gz AHVIMHXWIVMLSG-NSHDSACASA-N -2 3 358.416 1.819 20 0 FDADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000547935074 542493109 /nfs/dbraw/zinc/49/31/09/542493109.db2.gz QNFILKASLOYHBX-LDYMZIIASA-N -2 3 356.227 1.886 20 0 FDADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000547938661 542494209 /nfs/dbraw/zinc/49/42/09/542494209.db2.gz FABOWPKIIPEZSX-ZDUSSCGKSA-N -2 3 358.778 1.848 20 0 FDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000547941520 542495020 /nfs/dbraw/zinc/49/50/20/542495020.db2.gz SICFTNKCKNPCKX-JTQLQIEISA-N -2 3 371.308 1.945 20 0 FDADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548194055 542579601 /nfs/dbraw/zinc/57/96/01/542579601.db2.gz RCXJIYQEANNHDO-SKDRFNHKSA-N -2 3 359.375 1.997 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000548199148 542582196 /nfs/dbraw/zinc/58/21/96/542582196.db2.gz UYAZJYIBQRGGPV-SNVBAGLBSA-N -2 3 356.381 1.034 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548204770 542584577 /nfs/dbraw/zinc/58/45/77/542584577.db2.gz PJHGHNNZDSRWAY-JTQLQIEISA-N -2 3 370.408 1.105 20 0 FDADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000548214397 542588532 /nfs/dbraw/zinc/58/85/32/542588532.db2.gz MULDPFAZMJEJDX-VIFPVBQESA-N -2 3 362.816 1.187 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548261874 542603733 /nfs/dbraw/zinc/60/37/33/542603733.db2.gz GNXQNDQPJZJBCR-LBPRGKRZSA-N -3 3 353.755 1.323 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)Cc1ccccn1 ZINC000548527759 542690830 /nfs/dbraw/zinc/69/08/30/542690830.db2.gz BYSZMXVHXFUJFZ-JTQLQIEISA-N -2 3 355.803 1.352 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000548532279 542693016 /nfs/dbraw/zinc/69/30/16/542693016.db2.gz OJNGBLJNAHQTPL-LBPRGKRZSA-N -2 3 371.846 1.778 20 0 FDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c1 ZINC000548534329 542693653 /nfs/dbraw/zinc/69/36/53/542693653.db2.gz FZVBPUDYEUNKKM-GFCCVEGCSA-N -2 3 352.387 1.751 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000548543823 542697416 /nfs/dbraw/zinc/69/74/16/542697416.db2.gz YNCMFRVFCDXNFM-MLGOLLRUSA-N -2 3 373.402 1.924 20 0 FDADHL CC(C)(CCC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000548554462 542701774 /nfs/dbraw/zinc/70/17/74/542701774.db2.gz OIBGPKFXSHYILR-UHFFFAOYSA-N -2 3 372.418 1.880 20 0 FDADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000548557541 542702009 /nfs/dbraw/zinc/70/20/09/542702009.db2.gz HMHNNBIUCYDSLE-GFCCVEGCSA-N -2 3 372.418 1.878 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)c1 ZINC000548568682 542706097 /nfs/dbraw/zinc/70/60/97/542706097.db2.gz WYFHZTZWOQWALJ-CYBMUJFWSA-N -2 3 359.448 1.087 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)oc1C ZINC000548567676 542705271 /nfs/dbraw/zinc/70/52/71/542705271.db2.gz KCPPDCYBDZLEBF-ZDUSSCGKSA-N -2 3 371.342 1.618 20 0 FDADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548574369 542707929 /nfs/dbraw/zinc/70/79/29/542707929.db2.gz XBQSKHCKFWTQGV-LBPRGKRZSA-N -2 3 370.814 1.490 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c(Cl)cc1F ZINC000548588010 542711840 /nfs/dbraw/zinc/71/18/40/542711840.db2.gz FAAIVPNUZAVEMF-CYBMUJFWSA-N -3 3 367.782 1.631 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000548597703 542715805 /nfs/dbraw/zinc/71/58/05/542715805.db2.gz QPLLBDWPNQQCAK-SNVBAGLBSA-N -2 3 361.416 1.940 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])nc1C ZINC000549911084 542965219 /nfs/dbraw/zinc/96/52/19/542965219.db2.gz MEIRLGPLNLUKQX-UKRRQHHQSA-N -2 3 373.475 1.274 20 0 FDADHL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(Cl)ccc3F)nc2n1 ZINC000551388342 543278678 /nfs/dbraw/zinc/27/86/78/543278678.db2.gz JKXGBELFDLFMDX-UHFFFAOYSA-N -2 3 357.754 1.319 20 0 FDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000131802314 173214186 /nfs/dbraw/zinc/21/41/86/173214186.db2.gz LPSOHMIPBSZNNC-UHFFFAOYSA-N -2 3 354.211 1.906 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000556023849 544076795 /nfs/dbraw/zinc/07/67/95/544076795.db2.gz DPKHLVXGPLKPNE-CABCVRRESA-N -2 3 367.398 1.469 20 0 FDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000556703271 544179940 /nfs/dbraw/zinc/17/99/40/544179940.db2.gz UOXPOTUKDDSROU-LBPRGKRZSA-N -2 3 369.370 1.664 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c1 ZINC000557349561 544281621 /nfs/dbraw/zinc/28/16/21/544281621.db2.gz GSVWLNOBSOWXAV-UHFFFAOYSA-N -2 3 364.351 1.921 20 0 FDADHL COc1cc2c([O-])c(C(=O)N=c3cc4ccccn4[n-]3)cnc2cc1F ZINC000557537366 544305169 /nfs/dbraw/zinc/30/51/69/544305169.db2.gz DKNSMQODGAYMSO-UHFFFAOYSA-N -2 3 352.325 2.576 20 0 FDADHL COc1cc2c(cc1F)[n-]cc(C(=O)N=c1cc3ccccn3[n-]1)c2=O ZINC000557537366 544305171 /nfs/dbraw/zinc/30/51/71/544305171.db2.gz DKNSMQODGAYMSO-UHFFFAOYSA-N -2 3 352.325 2.576 20 0 FDADHL Cc1nc(=NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s[n-]1 ZINC000557694731 544331894 /nfs/dbraw/zinc/33/18/94/544331894.db2.gz SDJWABPUZVXOOB-UHFFFAOYSA-N -2 3 367.283 1.966 20 0 FDADHL COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cs1 ZINC000558589709 544475794 /nfs/dbraw/zinc/47/57/94/544475794.db2.gz XXXVIRRQCMDLJM-UHFFFAOYSA-N -2 3 360.388 1.605 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)s1 ZINC000558591107 544476466 /nfs/dbraw/zinc/47/64/66/544476466.db2.gz HXEATEYVPLDZFJ-YMTOWFKASA-N -2 3 361.441 1.847 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(F)c1 ZINC000330934207 259169843 /nfs/dbraw/zinc/16/98/43/259169843.db2.gz HOBBWNHSRPJPFQ-SNVBAGLBSA-N -2 3 368.477 1.371 20 0 FDADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000369556782 260390951 /nfs/dbraw/zinc/39/09/51/260390951.db2.gz PFGFSXVRIRUHFS-AWEZNQCLSA-N -2 3 363.439 1.584 20 0 FDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000371909783 260788122 /nfs/dbraw/zinc/78/81/22/260788122.db2.gz QFJKRLMZMFGWMB-NHYWBVRUSA-N -2 3 359.375 1.140 20 0 FDADHL Cc1cc(Br)c([O-])c(NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c1 ZINC000378496334 262038882 /nfs/dbraw/zinc/03/88/82/262038882.db2.gz ZNUIJHQATVGLHY-UHFFFAOYSA-N -2 3 368.187 1.390 20 0 FDADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC000037417932 519630489 /nfs/dbraw/zinc/63/04/89/519630489.db2.gz IKYUHSXLUWHWOE-UHFFFAOYSA-N -2 3 372.624 1.864 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000020626909 518855772 /nfs/dbraw/zinc/85/57/72/518855772.db2.gz IWQDVUZAMWEGFZ-UHFFFAOYSA-N -2 3 350.400 1.714 20 0 FDADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000037385802 519629859 /nfs/dbraw/zinc/62/98/59/519629859.db2.gz SMKIJFKTKYEZCA-VIFPVBQESA-N -3 3 356.183 1.590 20 0 FDADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1C(=O)[O-] ZINC000042794554 521784747 /nfs/dbraw/zinc/78/47/47/521784747.db2.gz MKRLCOQVYDOHCP-UHFFFAOYSA-N -2 3 362.407 1.830 20 0 FDADHL Cc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000072954235 522432445 /nfs/dbraw/zinc/43/24/45/522432445.db2.gz FKFUWHVKXIYQEY-RYUDHWBXSA-N -2 3 359.430 1.325 20 0 FDADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066044700 522939329 /nfs/dbraw/zinc/93/93/29/522939329.db2.gz NSHACEMMPHYPPF-UHFFFAOYSA-N -2 3 362.332 1.974 20 0 FDADHL COc1cc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)cc(C(=O)[O-])c1OC ZINC000066589394 523124181 /nfs/dbraw/zinc/12/41/81/523124181.db2.gz PRSFHPAUFXWENY-UHFFFAOYSA-N -3 3 374.415 1.148 20 0 FDADHL COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CCC(C)C ZINC000066589485 523124809 /nfs/dbraw/zinc/12/48/09/523124809.db2.gz DSXRSXDSNBNWAE-RMKNXTFCSA-N -3 3 370.427 1.539 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000055545989 523823925 /nfs/dbraw/zinc/82/39/25/523823925.db2.gz PIVDAXPOIZTWSA-UHFFFAOYSA-N -2 3 362.411 1.586 20 0 FDADHL CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])c1nnn[n-]1 ZINC000136692957 524210698 /nfs/dbraw/zinc/21/06/98/524210698.db2.gz VATNCDQBTGQFAM-LLVKDONJSA-N -2 3 359.365 1.810 20 0 FDADHL CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])c1nn[n-]n1 ZINC000136692957 524210706 /nfs/dbraw/zinc/21/07/06/524210706.db2.gz VATNCDQBTGQFAM-LLVKDONJSA-N -2 3 359.365 1.810 20 0 FDADHL CCC(CC)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000104751568 525431533 /nfs/dbraw/zinc/43/15/33/525431533.db2.gz YFJKRHYLHRKLFC-UHFFFAOYSA-N -2 3 352.453 1.912 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(F)c(F)c(F)c3)ccc21 ZINC000130439331 525756466 /nfs/dbraw/zinc/75/64/66/525756466.db2.gz CENOJYFIRQRWKX-UHFFFAOYSA-N -2 3 356.281 1.788 20 0 FDADHL Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000185072450 536197385 /nfs/dbraw/zinc/19/73/85/536197385.db2.gz HLASOKXPHNDLBS-SECBINFHSA-N -2 3 369.418 1.784 20 0 FDADHL C[C@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC000263074593 536970076 /nfs/dbraw/zinc/97/00/76/536970076.db2.gz RQEQTNYELVOABP-ZANVPECISA-N -2 3 358.391 1.523 20 0 FDADHL C[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC000263074584 536970628 /nfs/dbraw/zinc/97/06/28/536970628.db2.gz RQEQTNYELVOABP-NOZJJQNGSA-N -2 3 358.391 1.523 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1F ZINC000263086911 536972006 /nfs/dbraw/zinc/97/20/06/536972006.db2.gz VEQIQWSGMNRAGB-COPLHBTASA-N -2 3 370.402 1.523 20 0 FDADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000263122753 536977614 /nfs/dbraw/zinc/97/76/14/536977614.db2.gz CLEKKBZPCTUSPM-ZEWFUEFWSA-N -2 3 359.382 1.067 20 0 FDADHL C[C@@H]1CCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000263123038 536977825 /nfs/dbraw/zinc/97/78/25/536977825.db2.gz VKTHTSOBDRKFCO-ZEWFUEFWSA-N -2 3 359.382 1.067 20 0 FDADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000263209837 536992600 /nfs/dbraw/zinc/99/26/00/536992600.db2.gz LGQIEFXGFUBIMQ-MFKMUULPSA-N -2 3 356.444 1.777 20 0 FDADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000263232029 536996603 /nfs/dbraw/zinc/99/66/03/536996603.db2.gz QPQZOQVLOUHZIH-MWLCHTKSSA-N -2 3 358.391 1.523 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1OC ZINC000263511637 537041471 /nfs/dbraw/zinc/04/14/71/537041471.db2.gz YAPUQCVVVJKFMR-JTQLQIEISA-N -2 3 373.431 1.641 20 0 FDADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000189511109 537058467 /nfs/dbraw/zinc/05/84/67/537058467.db2.gz JOAABURHIHBENS-UHFFFAOYSA-N -2 3 359.411 1.880 20 0 FDADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@@H](C)OC)cc1OC(F)F ZINC000282218404 537267490 /nfs/dbraw/zinc/26/74/90/537267490.db2.gz NSKKKTUPVMBUFA-SSDOTTSWSA-N -2 3 369.342 1.771 20 0 FDADHL Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)c[n-]c12 ZINC000298844402 537343263 /nfs/dbraw/zinc/34/32/63/537343263.db2.gz DVDJBQCYTRRHGI-NSHDSACASA-N -2 3 353.382 1.680 20 0 FDADHL 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551589351 /nfs/dbraw/zinc/58/93/51/551589351.db2.gz HHHXSWAYOMPPIY-UHFFFAOYSA-N -2 3 359.385 1.235 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c[n-]1 ZINC000585731018 551589361 /nfs/dbraw/zinc/58/93/61/551589361.db2.gz YHWVAECAWCTSFY-UHFFFAOYSA-N -2 3 352.416 1.449 20 0 FDADHL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)C2Cc3ccccc3C2)cc1 ZINC000605613968 554007991 /nfs/dbraw/zinc/00/79/91/554007991.db2.gz YJHCGATZLLXHET-UHFFFAOYSA-N -2 3 374.418 1.410 20 0 FDADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000614351996 555041512 /nfs/dbraw/zinc/04/15/12/555041512.db2.gz WEGZJWFGOSMGTN-LLVKDONJSA-N -2 3 361.489 1.964 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628960584 557713892 /nfs/dbraw/zinc/71/38/92/557713892.db2.gz KZCNLZZUBKFCON-QMMMGPOBSA-N -2 3 357.363 1.442 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCOC1 ZINC000630431350 557908911 /nfs/dbraw/zinc/90/89/11/557908911.db2.gz DEUTUEIPJCLFOC-CYBMUJFWSA-N -2 3 351.783 1.639 20 0 FDADHL COCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737022537 598841175 /nfs/dbraw/zinc/84/11/75/598841175.db2.gz WOYUVSCKEKAXPG-UHFFFAOYSA-N -2 3 363.374 1.953 20 0 FDADHL COCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737022537 598841177 /nfs/dbraw/zinc/84/11/77/598841177.db2.gz WOYUVSCKEKAXPG-UHFFFAOYSA-N -2 3 363.374 1.953 20 0 FDADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737438047 598891191 /nfs/dbraw/zinc/89/11/91/598891191.db2.gz XYHBCZVWZNQVTF-VOTSOKGWSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737438047 598891193 /nfs/dbraw/zinc/89/11/93/598891193.db2.gz XYHBCZVWZNQVTF-VOTSOKGWSA-N -2 3 370.394 1.088 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c1F ZINC000760118455 596946108 /nfs/dbraw/zinc/94/61/08/596946108.db2.gz UASCOGJYFNOKBH-SECBINFHSA-N -2 3 365.354 1.529 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821825168 599233465 /nfs/dbraw/zinc/23/34/65/599233465.db2.gz TZEVBOSBXGACDU-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821825168 599233468 /nfs/dbraw/zinc/23/34/68/599233468.db2.gz TZEVBOSBXGACDU-UHFFFAOYSA-N -2 3 366.790 1.725 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c1F ZINC000760099016 597145632 /nfs/dbraw/zinc/14/56/32/597145632.db2.gz AOCXOOSOUXBCIG-LLVKDONJSA-N -2 3 351.327 1.139 20 0 FDADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000736567622 598548264 /nfs/dbraw/zinc/54/82/64/598548264.db2.gz BIQGGTWQECKMJP-UHFFFAOYSA-N -2 3 371.426 1.445 20 0 FDADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000736567622 598548265 /nfs/dbraw/zinc/54/82/65/598548265.db2.gz BIQGGTWQECKMJP-UHFFFAOYSA-N -2 3 371.426 1.445 20 0 FDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc2O1 ZINC000736295907 598637414 /nfs/dbraw/zinc/63/74/14/598637414.db2.gz BMLNKZUZICOKNC-SECBINFHSA-N -2 3 358.383 1.386 20 0 FDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737193906 598785641 /nfs/dbraw/zinc/78/56/41/598785641.db2.gz ZFHLJORNXHRYCZ-UHFFFAOYSA-N -2 3 365.396 1.300 20 0 FDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737193906 598785643 /nfs/dbraw/zinc/78/56/43/598785643.db2.gz ZFHLJORNXHRYCZ-UHFFFAOYSA-N -2 3 365.396 1.300 20 0 FDADHL C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323049 599299206 /nfs/dbraw/zinc/29/92/06/599299206.db2.gz WQXLVPXOIJXNIA-QFYYESIMSA-N -2 3 361.427 1.642 20 0 FDADHL C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323049 599299208 /nfs/dbraw/zinc/29/92/08/599299208.db2.gz WQXLVPXOIJXNIA-QFYYESIMSA-N -2 3 361.427 1.642 20 0 FDADHL O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344182 599314432 /nfs/dbraw/zinc/31/44/32/599314432.db2.gz BERMKTNQIRGUPW-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=S(=O)([N-]c1c(O)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344182 599314435 /nfs/dbraw/zinc/31/44/35/599314435.db2.gz BERMKTNQIRGUPW-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822950737 599621805 /nfs/dbraw/zinc/62/18/05/599621805.db2.gz ZYGHRENOJFXQNY-UHFFFAOYSA-N -2 3 363.321 1.155 20 0 FDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822950737 599621806 /nfs/dbraw/zinc/62/18/06/599621806.db2.gz ZYGHRENOJFXQNY-UHFFFAOYSA-N -2 3 363.321 1.155 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820847546 599684384 /nfs/dbraw/zinc/68/43/84/599684384.db2.gz GIVAMLSSWAMZCL-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820847546 599684385 /nfs/dbraw/zinc/68/43/85/599684385.db2.gz GIVAMLSSWAMZCL-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000736164941 599717235 /nfs/dbraw/zinc/71/72/35/599717235.db2.gz GKKMCKFDIOUARO-CYBMUJFWSA-N -2 3 372.377 1.730 20 0 FDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000737238500 599743973 /nfs/dbraw/zinc/74/39/73/599743973.db2.gz PSXKFUYDTGBVQL-HZMBPMFUSA-N -2 3 374.434 1.742 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262420686 599776248 /nfs/dbraw/zinc/77/62/48/599776248.db2.gz QBYZKIXIBBGMFY-YUMQZZPRSA-N -2 3 366.317 1.736 20 0 FDADHL CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000737270023 599776491 /nfs/dbraw/zinc/77/64/91/599776491.db2.gz OENSQSPGXYRXJN-UHFFFAOYSA-N -2 3 352.368 1.457 20 0 FDADHL O=C([O-])c1ccc(OCCNC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000739296366 599951407 /nfs/dbraw/zinc/95/14/07/599951407.db2.gz BSBKDWLXKVNIPQ-UHFFFAOYSA-N -2 3 358.350 1.015 20 0 FDADHL CC(C)(C)c1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C2 ZINC000736299130 600083978 /nfs/dbraw/zinc/08/39/78/600083978.db2.gz IWTCBXLMEQIUQG-JTQLQIEISA-N -2 3 367.427 1.765 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)ccc1O ZINC000740090078 600237425 /nfs/dbraw/zinc/23/74/25/600237425.db2.gz RGWWAJMLTIUPGE-UHFFFAOYSA-N -2 3 353.352 1.262 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1C(=O)[O-] ZINC000042791884 600541950 /nfs/dbraw/zinc/54/19/50/600541950.db2.gz PCOKZDFWXHKAAY-UHFFFAOYSA-N -2 3 374.378 1.775 20 0 FDADHL C[C@@](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)(C(=O)[O-])C1CC1 ZINC000736656386 600611201 /nfs/dbraw/zinc/61/12/01/600611201.db2.gz KHVRWHIZLVSQGR-INIZCTEOSA-N -2 3 370.402 1.250 20 0 FDADHL CC(C)c1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1-c1ccccc1F ZINC000736526583 601063082 /nfs/dbraw/zinc/06/30/82/601063082.db2.gz YNBJKOGJMFSZFM-UHFFFAOYSA-N -2 3 373.348 1.527 20 0 FDADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000827375104 601121815 /nfs/dbraw/zinc/12/18/15/601121815.db2.gz PWCLFTADKHBLMX-SNVBAGLBSA-N -2 3 371.231 1.776 20 0 FDADHL O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000833186165 601209242 /nfs/dbraw/zinc/20/92/42/601209242.db2.gz QORGBWLNORFERR-GJZGRUSLSA-N -2 3 360.410 1.568 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCNC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832912299 601221585 /nfs/dbraw/zinc/22/15/85/601221585.db2.gz ZTYMFGCOIKJWPK-UHFFFAOYSA-N -2 3 366.395 1.303 20 0 FDADHL Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832984919 601222613 /nfs/dbraw/zinc/22/26/13/601222613.db2.gz OZVICUGIAPBDII-UHFFFAOYSA-N -2 3 370.383 1.286 20 0 FDADHL C[C@@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)(C(N)=O)c1cccc(Cl)c1 ZINC000827754894 601379020 /nfs/dbraw/zinc/37/90/20/601379020.db2.gz NAIREHNADDTAOY-AWEZNQCLSA-N -2 3 372.786 1.310 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(=O)[n-]1 ZINC000832995457 601471004 /nfs/dbraw/zinc/47/10/04/601471004.db2.gz ZWVDXWVEQRFZGA-QGZVFWFLSA-N -2 3 355.394 1.942 20 0 FDADHL CCCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)C(=O)[O-] ZINC000829333090 601672680 /nfs/dbraw/zinc/67/26/80/601672680.db2.gz HEAUJSOTRSHOPZ-LBPRGKRZSA-N -2 3 360.407 1.497 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000831033829 601734241 /nfs/dbraw/zinc/73/42/41/601734241.db2.gz GAVXXMJFZHLBRW-UHFFFAOYSA-N -2 3 371.342 1.690 20 0 FDADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])n1 ZINC000832879784 601830360 /nfs/dbraw/zinc/83/03/60/601830360.db2.gz BYDSLIRRSIDVCM-UHFFFAOYSA-N -2 3 357.779 1.145 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826303719 607532349 /nfs/dbraw/zinc/53/23/49/607532349.db2.gz BJFKBQGDHAMGBS-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1-c1nnn[n-]1 ZINC000826304044 607535421 /nfs/dbraw/zinc/53/54/21/607535421.db2.gz SSVWYLSCHLJTAO-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1-c1nn[n-]n1 ZINC000826304044 607535423 /nfs/dbraw/zinc/53/54/23/607535423.db2.gz SSVWYLSCHLJTAO-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1-c1nnn[n-]1 ZINC000826303923 607536278 /nfs/dbraw/zinc/53/62/78/607536278.db2.gz MMKBAUUKQOAMFE-UHFFFAOYSA-N -2 3 359.415 1.582 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1-c1nn[n-]n1 ZINC000826303923 607536280 /nfs/dbraw/zinc/53/62/80/607536280.db2.gz MMKBAUUKQOAMFE-UHFFFAOYSA-N -2 3 359.415 1.582 20 0 FDADHL Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])c(=O)[n-]1 ZINC000740218067 602018209 /nfs/dbraw/zinc/01/82/09/602018209.db2.gz OWEFYERBBJHZIM-FZMZJTMJSA-N -2 3 350.419 1.769 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(C)o1 ZINC000428105075 602066886 /nfs/dbraw/zinc/06/68/86/602066886.db2.gz WNVJDDASIFSBIN-UHFFFAOYSA-N -2 3 352.368 1.376 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Br)o1 ZINC000055312988 602139673 /nfs/dbraw/zinc/13/96/73/602139673.db2.gz DVIWXJOYYXVKGM-ZCFIWIBFSA-N -2 3 354.178 1.198 20 0 FDADHL CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000739239213 602166724 /nfs/dbraw/zinc/16/67/24/602166724.db2.gz VFTHPAJHROEHAU-SWLSCSKDSA-N -2 3 363.414 1.359 20 0 FDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])Cc2cc(OC)cc(OC)c2)n1 ZINC000652466406 602234970 /nfs/dbraw/zinc/23/49/70/602234970.db2.gz QDUYZOHACIHPKK-UHFFFAOYSA-N -2 3 361.398 1.849 20 0 FDADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c[nH]c(=O)cc1C ZINC000831471053 602304816 /nfs/dbraw/zinc/30/48/16/602304816.db2.gz NNJQWODXJWEMGB-UHFFFAOYSA-N -2 3 372.380 1.443 20 0 FDADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000740732198 602571896 /nfs/dbraw/zinc/57/18/96/602571896.db2.gz IMYKQLIHUJZYIS-SWLSCSKDSA-N -2 3 371.393 1.565 20 0 FDADHL O=C([O-])NCCc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000740672595 602572359 /nfs/dbraw/zinc/57/23/59/602572359.db2.gz LLANDVVSYQPQHM-UHFFFAOYSA-N -2 3 367.361 1.310 20 0 FDADHL COC(=O)Cc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[n-]1 ZINC000739768274 603316035 /nfs/dbraw/zinc/31/60/35/603316035.db2.gz LPTYLLKRFFTBRN-UHFFFAOYSA-N -2 3 353.722 1.516 20 0 FDADHL Cc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1NC(=O)[O-] ZINC000830215839 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354.197 1.977 20 0 FDADHL CCOc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(=S)[nH]2)cc1C(=O)[O-] ZINC001192608711 969198783 /nfs/dbraw/zinc/19/87/83/969198783.db2.gz IRNJKCXDIROMRQ-UHFFFAOYSA-N -2 3 371.396 1.369 20 0 FDADHL CCOC(=O)[C@H](Cc1ccccc1)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001192780603 969287039 /nfs/dbraw/zinc/28/70/39/969287039.db2.gz BKOXWDPTKOADBR-AWEZNQCLSA-N -2 3 372.358 1.418 20 0 FDADHL COC(=O)c1cc(C(=O)Nc2cc(OC)cc(Br)c2[O-])n[n-]1 ZINC001194288513 970112992 /nfs/dbraw/zinc/11/29/92/970112992.db2.gz HCGKHDMSDGFBGR-UHFFFAOYSA-N -2 3 370.159 1.925 20 0 FDADHL COC(=O)c1cc(C(=O)Nc2cc(OC)cc(Br)c2[O-])[n-]n1 ZINC001194288513 970112997 /nfs/dbraw/zinc/11/29/97/970112997.db2.gz HCGKHDMSDGFBGR-UHFFFAOYSA-N -2 3 370.159 1.925 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)n1 ZINC001605093174 972747909 /nfs/dbraw/zinc/74/79/09/972747909.db2.gz XJYWPJYNFNYWCL-AAEUAGOBSA-N -2 3 350.419 1.323 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198155446 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MWSWMNSPQDFIRO-LBPRGKRZSA-N -2 3 374.484 1.566 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000275496796 181334118 /nfs/dbraw/zinc/33/41/18/181334118.db2.gz BRFLHRPJKXEJMI-UHFFFAOYSA-N -2 3 359.454 1.745 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000275574959 181356935 /nfs/dbraw/zinc/35/69/35/181356935.db2.gz IHRTYEHMSVIBGN-UHFFFAOYSA-N -2 3 373.481 1.756 20 0 FDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)cc(F)c2)(C(=O)[O-])C1(C)C ZINC000275671587 181383240 /nfs/dbraw/zinc/38/32/40/181383240.db2.gz PWYQPLFOOPZWLV-IUODEOHRSA-N -2 3 363.382 1.902 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)on1 ZINC000544928933 541855738 /nfs/dbraw/zinc/85/57/38/541855738.db2.gz CFTFEGYRJSHKEH-UHFFFAOYSA-N -2 3 354.384 1.487 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)cc1Cl ZINC000282995653 182087725 /nfs/dbraw/zinc/08/77/25/182087725.db2.gz YKUHKYFOCKXOFV-UHFFFAOYSA-N -2 3 350.755 1.333 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1)c1ccon1 ZINC000545545589 541996138 /nfs/dbraw/zinc/99/61/38/541996138.db2.gz DRRAQYKKMIHAAZ-QMMMGPOBSA-N -2 3 360.775 1.831 20 0 FDADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)no1 ZINC000546260731 542133797 /nfs/dbraw/zinc/13/37/97/542133797.db2.gz BAGPEBNNHYJGJC-UHFFFAOYSA-N -2 3 372.374 1.844 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])c[nH]1 ZINC000290683429 183694319 /nfs/dbraw/zinc/69/43/19/183694319.db2.gz QHEQHUOIRLKXCE-LBPRGKRZSA-N -2 3 355.441 1.632 20 0 FDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000297223386 184246955 /nfs/dbraw/zinc/24/69/55/184246955.db2.gz OERHQDPWPLLLGA-MRVPVSSYSA-N -2 3 365.354 1.673 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000547542033 542367930 /nfs/dbraw/zinc/36/79/30/542367930.db2.gz WMCDHJBFHIONCP-ZDUSSCGKSA-N -2 3 354.315 1.838 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c1 ZINC000547544069 542368267 /nfs/dbraw/zinc/36/82/67/542368267.db2.gz URXFIUQILDMUDY-ZDUSSCGKSA-N -2 3 366.374 1.015 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547550686 542370104 /nfs/dbraw/zinc/37/01/04/542370104.db2.gz ZSCFJWBRNDNYHH-SECBINFHSA-N -2 3 362.791 1.552 20 0 FDADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000547550032 542370112 /nfs/dbraw/zinc/37/01/12/542370112.db2.gz ZGVRSEJVQDDQTF-UHFFFAOYSA-N -2 3 362.379 1.949 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC000547550240 542370524 /nfs/dbraw/zinc/37/05/24/542370524.db2.gz BBOFGWRRXJBJJW-ZDUSSCGKSA-N -2 3 369.420 1.947 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cn1C ZINC000547552018 542371298 /nfs/dbraw/zinc/37/12/98/542371298.db2.gz ACERVYOGUWSFNG-GFCCVEGCSA-N -2 3 371.846 1.604 20 0 FDADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000547576722 542381202 /nfs/dbraw/zinc/38/12/02/542381202.db2.gz UNIJODSERBBAMK-OCCSQVGLSA-N 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COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547893359 542479756 /nfs/dbraw/zinc/47/97/56/542479756.db2.gz HNNQMHANVJYZBZ-IUODEOHRSA-N -2 3 359.375 1.534 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)oc1C ZINC000547899007 542481839 /nfs/dbraw/zinc/48/18/39/542481839.db2.gz XKTXDNOLAYDXIU-SNVBAGLBSA-N -2 3 361.416 1.790 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)c(C)o1 ZINC000547918824 542487606 /nfs/dbraw/zinc/48/76/06/542487606.db2.gz MIHZPSLSPQNDME-ZDUSSCGKSA-N -2 3 371.342 1.618 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c(C)o1 ZINC000547918823 542487927 /nfs/dbraw/zinc/48/79/27/542487927.db2.gz MIHZPSLSPQNDME-CYBMUJFWSA-N -2 3 371.342 1.618 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])nc1C ZINC000547934730 542492193 /nfs/dbraw/zinc/49/21/93/542492193.db2.gz IFTTZVBBDKCWCS-CYBMUJFWSA-N -2 3 371.846 1.839 20 0 FDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000547936207 542492818 /nfs/dbraw/zinc/49/28/18/542492818.db2.gz FKJBWTUJPORYMX-VIFPVBQESA-N -2 3 354.306 1.201 20 0 FDADHL Cc1nn2cc(S(=O)(=O)[N-]Cc3ccc(C(=O)[O-])o3)cnc2c1Cl ZINC000547936278 542493083 /nfs/dbraw/zinc/49/30/83/542493083.db2.gz YBIPIVMTKWWTEY-UHFFFAOYSA-N -2 3 370.774 1.461 20 0 FDADHL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000547952076 542498653 /nfs/dbraw/zinc/49/86/53/542498653.db2.gz ITLXALFKFWIFIK-SECBINFHSA-N -2 3 360.395 1.539 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000547964288 542502257 /nfs/dbraw/zinc/50/22/57/542502257.db2.gz LYFFZXMQQQKBPX-ZETCQYMHSA-N -2 3 350.418 1.097 20 0 FDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548202617 542583486 /nfs/dbraw/zinc/58/34/86/542583486.db2.gz KEJQZPQNKQGRHY-KCJUWKMLSA-N -2 3 351.783 1.637 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C(=O)[O-])n1 ZINC000548210152 542587067 /nfs/dbraw/zinc/58/70/67/542587067.db2.gz BKMIEAFTMIOOLM-CYBMUJFWSA-N -2 3 359.354 1.210 20 0 FDADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000548226117 542592020 /nfs/dbraw/zinc/59/20/20/542592020.db2.gz MELANVQXIZIVFD-SNVBAGLBSA-N -2 3 374.827 1.801 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])cc1F ZINC000548260690 542603064 /nfs/dbraw/zinc/60/30/64/542603064.db2.gz ODKBIINOXXFFHL-ZDUSSCGKSA-N -3 3 351.327 1.117 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000548264186 542604794 /nfs/dbraw/zinc/60/47/94/542604794.db2.gz PPNSXXAKIIAZAD-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000548265926 542605030 /nfs/dbraw/zinc/60/50/30/542605030.db2.gz LWENOZZZIFYJKI-UHFFFAOYSA-N -2 3 361.441 1.013 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000548240315 542597244 /nfs/dbraw/zinc/59/72/44/542597244.db2.gz XIYZFZJFUOSSTP-JTQLQIEISA-N -2 3 365.429 1.249 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c[nH]1 ZINC000548535510 542694146 /nfs/dbraw/zinc/69/41/46/542694146.db2.gz IVUBJBSQUYYSMN-NSHDSACASA-N -2 3 357.819 1.593 20 0 FDADHL O=C([O-])[C@H](Cc1c[nH]c2ncccc12)[N-]S(=O)(=O)c1cccs1 ZINC000548524740 542689782 /nfs/dbraw/zinc/68/97/82/542689782.db2.gz WCTMNUBKHINDTK-NSHDSACASA-N -2 3 351.409 1.599 20 0 FDADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])cc1Cl ZINC000548550603 542699902 /nfs/dbraw/zinc/69/99/02/542699902.db2.gz TYEXKUIWFFMZKQ-VIFPVBQESA-N -2 3 358.199 1.380 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000548557556 542701921 /nfs/dbraw/zinc/70/19/21/542701921.db2.gz IPMNLSFLVDCVKE-ZDUSSCGKSA-N -2 3 357.819 1.969 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])nc1C ZINC000548592074 542713721 /nfs/dbraw/zinc/71/37/21/542713721.db2.gz LJPAEVCPZFJUQV-ABAIWWIYSA-N -2 3 351.428 1.952 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000548593833 542714137 /nfs/dbraw/zinc/71/41/37/542714137.db2.gz QPMMDLHNNDWRRZ-SNVBAGLBSA-N -2 3 361.422 1.700 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cn1 ZINC000102841728 172356276 /nfs/dbraw/zinc/35/62/76/172356276.db2.gz KTAOSMYCLFXSAD-UHFFFAOYSA-N -2 3 359.411 1.763 20 0 FDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000132614803 173237881 /nfs/dbraw/zinc/23/78/81/173237881.db2.gz ZTVVMAQMAKWDEE-UHFFFAOYSA-N -2 3 373.438 1.896 20 0 FDADHL Cn1cc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000184991652 258384709 /nfs/dbraw/zinc/38/47/09/258384709.db2.gz SAFQQAXPQKIHCF-UHFFFAOYSA-N -2 3 359.354 1.308 20 0 FDADHL O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cncc([O-])c1 ZINC000555852386 544040624 /nfs/dbraw/zinc/04/06/24/544040624.db2.gz FGHFRNGFGXVPDA-UHFFFAOYSA-N -2 3 351.359 1.619 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)c[nH]1 ZINC000558271168 544406526 /nfs/dbraw/zinc/40/65/26/544406526.db2.gz KTYDTABCXWVHQY-CYBMUJFWSA-N -2 3 364.427 1.364 20 0 FDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)o1 ZINC000558472905 544442445 /nfs/dbraw/zinc/44/24/45/544442445.db2.gz CTPQJUHKPJIRTD-UHFFFAOYSA-N -2 3 350.274 1.870 20 0 FDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000558684691 544503641 /nfs/dbraw/zinc/50/36/41/544503641.db2.gz ORZIIXOQHZTQQA-KSSFIOAISA-N -2 3 365.393 2.143 20 0 FDADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000371455457 260710773 /nfs/dbraw/zinc/71/07/73/260710773.db2.gz KZVOHWFKPVOYHP-ZDUSSCGKSA-N -2 3 359.773 1.926 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)cc(Cl)c1Cl ZINC000375588148 261377486 /nfs/dbraw/zinc/37/74/86/261377486.db2.gz PWPOVSLJLFIJFH-OWUUHHOZSA-N -2 3 366.222 1.862 20 0 FDADHL O=C(Nc1nnn[n-]1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060380305 522370302 /nfs/dbraw/zinc/37/03/02/522370302.db2.gz QGXLYMVPFICSHF-UHFFFAOYSA-N -2 3 362.346 1.392 20 0 FDADHL O=C(Nc1nn[n-]n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060380305 522370306 /nfs/dbraw/zinc/37/03/06/522370306.db2.gz QGXLYMVPFICSHF-UHFFFAOYSA-N -2 3 362.346 1.392 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n(C)n1 ZINC000066247880 522999849 /nfs/dbraw/zinc/99/98/49/522999849.db2.gz IUOYSBAMMUZZLV-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000054505037 523648976 /nfs/dbraw/zinc/64/89/76/523648976.db2.gz UPCXSOKQKNRNNH-NSHDSACASA-N -2 3 364.217 1.599 20 0 FDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000157486166 524284013 /nfs/dbraw/zinc/28/40/13/524284013.db2.gz UFUQQHFDAYGAAR-JTQLQIEISA-N -2 3 352.453 1.910 20 0 FDADHL CCc1cc(=O)[n-]c(CN2CCN(Cc3nc(CC)cc(=O)[n-]3)[C@H](C)C2)n1 ZINC000121651002 524318154 /nfs/dbraw/zinc/31/81/54/524318154.db2.gz XWDFYURRROZUGL-CYBMUJFWSA-N -2 3 372.473 1.509 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)co1 ZINC000121894360 524400064 /nfs/dbraw/zinc/40/00/64/524400064.db2.gz KPGXWNHSCLKWMH-UHFFFAOYSA-N -2 3 356.307 1.310 20 0 FDADHL Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000185055384 536197033 /nfs/dbraw/zinc/19/70/33/536197033.db2.gz JLZCADGCDJYNEA-UHFFFAOYSA-N -2 3 373.381 1.927 20 0 FDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)c1F ZINC000185106282 536199002 /nfs/dbraw/zinc/19/90/02/536199002.db2.gz DYCQVJSPWFAEPU-CMPLNLGQSA-N -2 3 356.419 1.736 20 0 FDADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)CCC(=O)[O-])cc(C(C)C)nc21 ZINC000262844060 536917734 /nfs/dbraw/zinc/91/77/34/536917734.db2.gz DSDNASSQAVDWDF-UHFFFAOYSA-N -2 3 362.386 1.187 20 0 FDADHL C[C@H](CN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CC1)C(=O)[O-] ZINC000262985029 536955032 /nfs/dbraw/zinc/95/50/32/536955032.db2.gz ROTPUWLHSWQVJR-MLCYQJTMSA-N -2 3 359.382 1.067 20 0 FDADHL CN(CCC(=O)[O-])C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000263040172 536964725 /nfs/dbraw/zinc/96/47/25/536964725.db2.gz LTSFITJDKWWEOG-UHFFFAOYSA-N -2 3 359.379 1.205 20 0 FDADHL Cn1ccc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c21 ZINC000190853770 537189151 /nfs/dbraw/zinc/18/91/51/537189151.db2.gz QKXMMNBSVSZJGR-UHFFFAOYSA-N -2 3 355.375 1.863 20 0 FDADHL C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000273650652 537482927 /nfs/dbraw/zinc/48/29/27/537482927.db2.gz GMWJIJIIEYYYMJ-ZETCQYMHSA-N -2 3 362.770 1.136 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1C(=O)[O-] ZINC000226858393 537567594 /nfs/dbraw/zinc/56/75/94/537567594.db2.gz IPHGDEJHWVBOKT-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)[C@H](C)C(=O)[O-] ZINC000232293057 537587689 /nfs/dbraw/zinc/58/76/89/537587689.db2.gz FRJDSUXINVVXBV-BQBZGAKWSA-N -2 3 354.197 1.976 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000318461932 537611115 /nfs/dbraw/zinc/61/11/15/537611115.db2.gz IEQFEIBPKJBQJQ-MRVPVSSYSA-N -2 3 361.725 1.737 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000320978012 537612609 /nfs/dbraw/zinc/61/26/09/537612609.db2.gz LAZHVLPRHJWILJ-SECBINFHSA-N -2 3 363.819 1.752 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC000324745548 537620726 /nfs/dbraw/zinc/62/07/26/537620726.db2.gz POCQOIRVOYKKRN-LLVKDONJSA-N -2 3 369.420 1.681 20 0 FDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1F ZINC000326794452 537631149 /nfs/dbraw/zinc/63/11/49/537631149.db2.gz RPPWCFNKHULKPB-UHFFFAOYSA-N -2 3 351.315 1.494 20 0 FDADHL O=C([O-])CCCCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000414629767 537866200 /nfs/dbraw/zinc/86/62/00/537866200.db2.gz SAFHVGBAPQRLAD-UHFFFAOYSA-N -2 3 363.414 1.505 20 0 FDADHL CCOCCS(=O)(=O)[N-]c1ccc(-c2nn(C)cc2C(=O)[O-])cc1 ZINC000372314835 537919773 /nfs/dbraw/zinc/91/97/73/537919773.db2.gz HQAZZWLCLMQPDE-UHFFFAOYSA-N -2 3 353.400 1.564 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCOC2)c(F)c1 ZINC000451341594 538233552 /nfs/dbraw/zinc/23/35/52/538233552.db2.gz DQLLCVVCIIVTHU-LLVKDONJSA-N -2 3 366.436 1.045 20 0 FDADHL O=C(c1ccccc1[O-])N1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445740015 538254249 /nfs/dbraw/zinc/25/42/49/538254249.db2.gz LZUZXOWMPMYBLP-UHFFFAOYSA-N -2 3 350.396 1.568 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnn2)c(OC)c1 ZINC000469125081 538777587 /nfs/dbraw/zinc/77/75/87/538777587.db2.gz XXIMPTUQSYUXCW-UHFFFAOYSA-N -2 3 372.428 1.048 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])s1 ZINC000562391007 546121106 /nfs/dbraw/zinc/12/11/06/546121106.db2.gz SFJJTNMFDLDGJJ-ZJUUUORDSA-N -2 3 361.441 1.847 20 0 FDADHL Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])cc1C ZINC000562651950 546210335 /nfs/dbraw/zinc/21/03/35/546210335.db2.gz XLCLVJRYYVOUFT-OAHLLOKOSA-N -2 3 352.387 1.812 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562941978 546321809 /nfs/dbraw/zinc/32/18/09/546321809.db2.gz PHRYOSCOWUJFEW-ZETCQYMHSA-N -2 3 360.438 1.813 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000565257962 547279380 /nfs/dbraw/zinc/27/93/80/547279380.db2.gz JBBYCPZINPIROV-AOOOYVTPSA-N -2 3 373.431 1.223 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000566046030 547577820 /nfs/dbraw/zinc/57/78/20/547577820.db2.gz IUIMGMKYSPPXSS-BDAKNGLRSA-N -2 3 362.429 1.242 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000566182607 547646152 /nfs/dbraw/zinc/64/61/52/547646152.db2.gz HHMUUBDGPYZZAN-OAHLLOKOSA-N -2 3 350.396 1.893 20 0 FDADHL C[C@@H]1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C[C@H]1C(=O)[O-] ZINC000566236053 547675034 /nfs/dbraw/zinc/67/50/34/547675034.db2.gz ZTFVWMDWMJJTRX-LERXQTSPSA-N -2 3 374.397 1.012 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000566561302 547807855 /nfs/dbraw/zinc/80/78/55/547807855.db2.gz GHZKTOXMYOMRMP-LURJTMIESA-N -2 3 366.371 1.342 20 0 FDADHL COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC000566912442 547928993 /nfs/dbraw/zinc/92/89/93/547928993.db2.gz GXWKXMPPJDQJBC-JTQLQIEISA-N -2 3 369.395 1.905 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000567419523 548111192 /nfs/dbraw/zinc/11/11/92/548111192.db2.gz UWQXAMVKPJFLGY-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL COCCOCCOCCS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000567998769 548354128 /nfs/dbraw/zinc/35/41/28/548354128.db2.gz ZXSNQYGQSCMEPX-UHFFFAOYSA-N -2 3 355.359 1.092 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000568001946 548355746 /nfs/dbraw/zinc/35/57/46/548355746.db2.gz MKGXTCHHGRWMPE-QMMMGPOBSA-N -2 3 357.413 1.675 20 0 FDADHL CC[C@](C)(NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(=O)[O-] ZINC000568011078 548361128 /nfs/dbraw/zinc/36/11/28/548361128.db2.gz RUUDWTKIVDRHCM-HNNXBMFYSA-N -2 3 373.431 1.832 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c(F)c1 ZINC000568361412 548503364 /nfs/dbraw/zinc/50/33/64/548503364.db2.gz RFKJXCSWVPXIIC-GHMZBOCLSA-N -2 3 359.375 1.392 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1F ZINC000568834260 548696004 /nfs/dbraw/zinc/69/60/04/548696004.db2.gz ITSJDAIBSIIGEP-BBRMVZONSA-N -2 3 373.402 1.924 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2)C(F)F ZINC000569436211 548916258 /nfs/dbraw/zinc/91/62/58/548916258.db2.gz ORWPFVRHESBXDE-ZCFIWIBFSA-N -2 3 373.280 1.642 20 0 FDADHL CCOC(=O)C1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2[O-])CC1 ZINC000570221113 549202237 /nfs/dbraw/zinc/20/22/37/549202237.db2.gz ZVYVCGCFIUNAHH-UHFFFAOYSA-N -2 3 362.835 1.977 20 0 FDADHL CC(=O)N1CCC(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CC1 ZINC000571215440 549568444 /nfs/dbraw/zinc/56/84/44/549568444.db2.gz USCHORADSAJFKI-UHFFFAOYSA-N -2 3 372.418 1.369 20 0 FDADHL COc1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c(Cl)cc1C(=O)[O-] ZINC000571426971 549641764 /nfs/dbraw/zinc/64/17/64/549641764.db2.gz DMWRPCVGADOAAI-UHFFFAOYSA-N -2 3 358.759 1.948 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000573320678 550111259 /nfs/dbraw/zinc/11/12/59/550111259.db2.gz FCBMWELOKIHRRA-NEPJUHHUSA-N -2 3 373.337 1.195 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)CCOC(F)(F)F)c(C(=O)[O-])c1 ZINC000574493603 550323021 /nfs/dbraw/zinc/32/30/21/550323021.db2.gz VJNPPFNNGGALHX-UHFFFAOYSA-N -2 3 370.305 1.621 20 0 FDADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC000577489788 550662096 /nfs/dbraw/zinc/66/20/96/550662096.db2.gz YLIBWNHKXFTACD-WPRPVWTQSA-N -2 3 369.798 1.455 20 0 FDADHL CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000577846036 550701148 /nfs/dbraw/zinc/70/11/48/550701148.db2.gz UXLCUEVUMXWPDT-UHFFFAOYSA-N -2 3 371.415 1.323 20 0 FDADHL CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578070190 550725469 /nfs/dbraw/zinc/72/54/69/550725469.db2.gz KWLOQLBAPGJLQJ-MWLCHTKSSA-N -2 3 368.411 1.433 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000578074181 550725678 /nfs/dbraw/zinc/72/56/78/550725678.db2.gz LKWIGSJWKAHLEC-CYBMUJFWSA-N -2 3 366.395 1.160 20 0 FDADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)CC(=O)[O-] ZINC000578230506 550742177 /nfs/dbraw/zinc/74/21/77/550742177.db2.gz AUQHEACTJYWSDP-CYBMUJFWSA-N -2 3 371.333 1.179 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1)C1CC1 ZINC000578892281 550813040 /nfs/dbraw/zinc/81/30/40/550813040.db2.gz PETULVBXDAISIY-HNNXBMFYSA-N -2 3 355.412 1.901 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ncc(C(=O)[O-])s1 ZINC000579231436 550850045 /nfs/dbraw/zinc/85/00/45/550850045.db2.gz FFHYGSRZUPNSLF-MRVPVSSYSA-N -2 3 354.409 1.816 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000579742437 550905598 /nfs/dbraw/zinc/90/55/98/550905598.db2.gz WXMYUOJKEAXHDZ-UHFFFAOYSA-N -2 3 370.358 1.836 20 0 FDADHL CCc1ccccc1[C@@H](N)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000579963806 550929037 /nfs/dbraw/zinc/92/90/37/550929037.db2.gz DAUZQWQATNFTBT-ZDUSSCGKSA-N -2 3 367.409 1.737 20 0 FDADHL Cc1cc(C(=O)N2CCN[C@@H](c3ccccc3)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000580528672 550991449 /nfs/dbraw/zinc/99/14/49/550991449.db2.gz LQXUHVWGHBNNAW-CQSZACIVSA-N -2 3 365.393 1.531 20 0 FDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)OC ZINC000581190948 551062182 /nfs/dbraw/zinc/06/21/82/551062182.db2.gz FFTSCYAVBKWOLJ-CABZTGNLSA-N -2 3 361.391 1.780 20 0 FDADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(F)cc3Cl)nc2n1 ZINC000581847366 551139961 /nfs/dbraw/zinc/13/99/61/551139961.db2.gz GZXYPEOYVXGSAY-UHFFFAOYSA-N -2 3 371.781 1.573 20 0 FDADHL Cc1ccc([O-])c(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000583174901 551314164 /nfs/dbraw/zinc/31/41/64/551314164.db2.gz IBSYFCNBSRWDLM-UHFFFAOYSA-N -2 3 357.338 1.291 20 0 FDADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000583451738 551354063 /nfs/dbraw/zinc/35/40/63/551354063.db2.gz FSYFKKHSRQWOGJ-SECBINFHSA-N -2 3 353.400 1.780 20 0 FDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000583810571 551405498 /nfs/dbraw/zinc/40/54/98/551405498.db2.gz WDOIRZXDCBGFMT-MRVPVSSYSA-N -2 3 368.180 1.085 20 0 FDADHL CCC1(CC)[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@H](C)[C@@H]1OC ZINC000584527433 551512365 /nfs/dbraw/zinc/51/23/65/551512365.db2.gz MBJAHQCCWQAGDY-AXTRIDKLSA-N -2 3 362.473 1.959 20 0 FDADHL Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cnc2n1 ZINC000584545565 551515064 /nfs/dbraw/zinc/51/50/64/551515064.db2.gz IVXNVDJOCNRRFL-SNVBAGLBSA-N -2 3 355.354 1.752 20 0 FDADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](c3n[n-]c(=O)o3)C1)c2=O ZINC000584545565 551515067 /nfs/dbraw/zinc/51/50/67/551515067.db2.gz IVXNVDJOCNRRFL-SNVBAGLBSA-N -2 3 355.354 1.752 20 0 FDADHL C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000584720383 551536223 /nfs/dbraw/zinc/53/62/23/551536223.db2.gz RWYDSHKACLSTGU-YUELXQCFSA-N -2 3 360.410 1.566 20 0 FDADHL CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])[n-]1 ZINC000590355993 551776055 /nfs/dbraw/zinc/77/60/55/551776055.db2.gz NINGGNSURRHHML-ZDUSSCGKSA-N -2 3 372.381 1.535 20 0 FDADHL CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000590355993 551776056 /nfs/dbraw/zinc/77/60/56/551776056.db2.gz NINGGNSURRHHML-ZDUSSCGKSA-N -2 3 372.381 1.535 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000592352867 551983777 /nfs/dbraw/zinc/98/37/77/551983777.db2.gz GJOFIQMKOWLCMC-HNNXBMFYSA-N -2 3 373.427 1.362 20 0 FDADHL COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945836 552231743 /nfs/dbraw/zinc/23/17/43/552231743.db2.gz YIMNNUHTIZCSHS-GARJFASQSA-N -2 3 370.427 1.282 20 0 FDADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000594705759 552359766 /nfs/dbraw/zinc/35/97/66/552359766.db2.gz LYRAOMJLJLMPLW-AAEUAGOBSA-N -2 3 373.427 1.280 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4nccnc4c3)ccc21 ZINC000597681858 552821612 /nfs/dbraw/zinc/82/16/12/552821612.db2.gz SGAOOPDBTPKWCP-UHFFFAOYSA-N -2 3 354.347 1.314 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(=O)[O-] ZINC000599932358 553176156 /nfs/dbraw/zinc/17/61/56/553176156.db2.gz HPIITWOTOKGVQD-UHFFFAOYSA-N -2 3 367.379 1.565 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c[n-]1 ZINC000600668948 553297248 /nfs/dbraw/zinc/29/72/48/553297248.db2.gz HBNZAJAIKKMXCC-UHFFFAOYSA-N -2 3 367.309 1.140 20 0 FDADHL CCC[C@H](NC(=O)c1nn(-c2ccccc2CC)cc1[O-])c1nnn[n-]1 ZINC000612059841 554728355 /nfs/dbraw/zinc/72/83/55/554728355.db2.gz FSADGOCFDPACPX-LBPRGKRZSA-N -2 3 355.402 1.925 20 0 FDADHL CCC[C@H](NC(=O)c1nn(-c2ccccc2CC)cc1[O-])c1nn[n-]n1 ZINC000612059841 554728356 /nfs/dbraw/zinc/72/83/56/554728356.db2.gz FSADGOCFDPACPX-LBPRGKRZSA-N -2 3 355.402 1.925 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000613475010 554929719 /nfs/dbraw/zinc/92/97/19/554929719.db2.gz LDCLCWGRGHYTIV-LLVKDONJSA-N -2 3 355.402 1.529 20 0 FDADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000613475010 554929721 /nfs/dbraw/zinc/92/97/21/554929721.db2.gz LDCLCWGRGHYTIV-LLVKDONJSA-N -2 3 355.402 1.529 20 0 FDADHL CC1CC(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000621313832 556067525 /nfs/dbraw/zinc/06/75/25/556067525.db2.gz ZXJWILAPNUGGET-UHFFFAOYSA-N -2 3 350.437 1.522 20 0 FDADHL O=C([O-])[C@H]1CCCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000621566709 556112973 /nfs/dbraw/zinc/11/29/73/556112973.db2.gz ZGHMFEIAXFOIAU-CQSZACIVSA-N -2 3 359.382 1.348 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000621584988 556115582 /nfs/dbraw/zinc/11/55/82/556115582.db2.gz NILAKLQLPHQZLL-GWCFXTLKSA-N -2 3 374.484 1.565 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000621598560 556119107 /nfs/dbraw/zinc/11/91/07/556119107.db2.gz OEHPELFVRCMMPN-CMPLNLGQSA-N -2 3 358.391 1.570 20 0 FDADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000629296505 557755361 /nfs/dbraw/zinc/75/53/61/557755361.db2.gz NMADQEFPKXAGIB-SSDOTTSWSA-N -2 3 354.197 1.896 20 0 FDADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)CO1 ZINC000629296035 557755418 /nfs/dbraw/zinc/75/54/18/557755418.db2.gz UOYXASAWGUYLBX-SNVBAGLBSA-N -2 3 357.384 1.465 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)c(F)c1F ZINC000629305927 557758114 /nfs/dbraw/zinc/75/81/14/557758114.db2.gz QZHIFGZPZLITRG-UHFFFAOYSA-N -2 3 374.369 1.322 20 0 FDADHL Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CO2 ZINC000629334110 557766977 /nfs/dbraw/zinc/76/69/77/557766977.db2.gz KOWAPPITSJFEJA-VIFPVBQESA-N -2 3 354.409 1.432 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c(C)o1 ZINC000630287540 557895190 /nfs/dbraw/zinc/89/51/90/557895190.db2.gz YZRJZCNZJUTJMF-MDZLAQPJSA-N -2 3 370.427 1.212 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCCOC2)c(Cl)cc1F ZINC000630433714 557909171 /nfs/dbraw/zinc/90/91/71/557909171.db2.gz XFGJZVINCYGHHI-CQSZACIVSA-N -2 3 365.810 1.947 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736882358 598946501 /nfs/dbraw/zinc/94/65/01/598946501.db2.gz NTRFPYIHTYZDMX-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736882358 598946503 /nfs/dbraw/zinc/94/65/03/598946503.db2.gz NTRFPYIHTYZDMX-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000736203195 599027949 /nfs/dbraw/zinc/02/79/49/599027949.db2.gz LKWOBUQAHHPNMO-VIFPVBQESA-N -2 3 363.424 1.749 20 0 FDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000736203195 599027951 /nfs/dbraw/zinc/02/79/51/599027951.db2.gz LKWOBUQAHHPNMO-VIFPVBQESA-N -2 3 363.424 1.749 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Br)o1 ZINC000169170407 602161396 /nfs/dbraw/zinc/16/13/96/602161396.db2.gz WDBTTXGODARNPE-ZCFIWIBFSA-N -2 3 370.246 1.914 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1C(=O)[O-] ZINC000737400596 599197956 /nfs/dbraw/zinc/19/79/56/599197956.db2.gz WPEMJCNITTVZNH-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1C(=O)[O-] ZINC000737400596 599197959 /nfs/dbraw/zinc/19/79/59/599197959.db2.gz WPEMJCNITTVZNH-UHFFFAOYSA-N -3 3 359.367 1.674 20 0 FDADHL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735461316 599302434 /nfs/dbraw/zinc/30/24/34/599302434.db2.gz PRZUZOMGDOIXQE-UHFFFAOYSA-N -2 3 372.410 1.650 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc2cccnc21 ZINC000823583300 599232190 /nfs/dbraw/zinc/23/21/90/599232190.db2.gz LTLRNVPJNONQMW-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2cccnc21 ZINC000823583300 599232193 /nfs/dbraw/zinc/23/21/93/599232193.db2.gz LTLRNVPJNONQMW-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL CCn1nc(C)c([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000736732458 599235861 /nfs/dbraw/zinc/23/58/61/599235861.db2.gz WOMKZFNCHTYEIG-UHFFFAOYSA-N -2 3 361.431 1.809 20 0 FDADHL CCn1nc(C)c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000736732458 599235863 /nfs/dbraw/zinc/23/58/63/599235863.db2.gz WOMKZFNCHTYEIG-UHFFFAOYSA-N -2 3 361.431 1.809 20 0 FDADHL O=C(c1ncccc1[O-])N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738292265 598261320 /nfs/dbraw/zinc/26/13/20/598261320.db2.gz KXPHWUCYLCCZKM-UHFFFAOYSA-N -2 3 366.381 1.651 20 0 FDADHL O=S(=O)([N-]c1cccnc1N1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340998 598333328 /nfs/dbraw/zinc/33/33/28/598333328.db2.gz BJIKLAAZSMWYFP-UHFFFAOYSA-N -2 3 371.426 1.663 20 0 FDADHL O=S(=O)([N-]c1cccnc1-n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738342126 598333866 /nfs/dbraw/zinc/33/38/66/598333866.db2.gz LPGROMUAUGSXLI-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cccnc1-n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342126 598333869 /nfs/dbraw/zinc/33/38/69/598333869.db2.gz LPGROMUAUGSXLI-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737172882 598414860 /nfs/dbraw/zinc/41/48/60/598414860.db2.gz VUZNNCDVWGOFGS-LURJTMIESA-N -2 3 361.836 1.077 20 0 FDADHL CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737172882 598414862 /nfs/dbraw/zinc/41/48/62/598414862.db2.gz VUZNNCDVWGOFGS-LURJTMIESA-N -2 3 361.836 1.077 20 0 FDADHL O=S(=O)([N-]c1cnccc1-n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738338615 598417026 /nfs/dbraw/zinc/41/70/26/598417026.db2.gz GSMQJVQAMBCECI-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1cnccc1-n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738338615 598417027 /nfs/dbraw/zinc/41/70/27/598417027.db2.gz GSMQJVQAMBCECI-UHFFFAOYSA-N -2 3 368.382 1.248 20 0 FDADHL O=S(=O)([N-]c1ncccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338594 598607867 /nfs/dbraw/zinc/60/78/67/598607867.db2.gz GNFKEMCOGCPSSE-UHFFFAOYSA-N -2 3 368.325 1.664 20 0 FDADHL O=S(=O)([N-]c1ncccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338594 598607869 /nfs/dbraw/zinc/60/78/69/598607869.db2.gz GNFKEMCOGCPSSE-UHFFFAOYSA-N -2 3 368.325 1.664 20 0 FDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737170170 598627361 /nfs/dbraw/zinc/62/73/61/598627361.db2.gz HAHOYPRYANOOJW-QHCPKHFHSA-N -2 3 363.424 1.405 20 0 FDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737170170 598627363 /nfs/dbraw/zinc/62/73/63/598627363.db2.gz HAHOYPRYANOOJW-QHCPKHFHSA-N -2 3 363.424 1.405 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1F ZINC000738345496 598638190 /nfs/dbraw/zinc/63/81/90/598638190.db2.gz OTIQJLMVNKNRRY-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1F ZINC000738345496 598638192 /nfs/dbraw/zinc/63/81/92/598638192.db2.gz OTIQJLMVNKNRRY-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736168834 598801210 /nfs/dbraw/zinc/80/12/10/598801210.db2.gz KSSHBQXWESGZML-JTQLQIEISA-N -2 3 367.431 1.126 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)c1ccccc1-c1nnn[n-]1 ZINC000738338838 599304587 /nfs/dbraw/zinc/30/45/87/599304587.db2.gz JTUYGOIRUKTBEQ-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000738338838 599304588 /nfs/dbraw/zinc/30/45/88/599304588.db2.gz JTUYGOIRUKTBEQ-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822689559 599306939 /nfs/dbraw/zinc/30/69/39/599306939.db2.gz MLUGJZXCVHSTTA-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822689559 599306944 /nfs/dbraw/zinc/30/69/44/599306944.db2.gz MLUGJZXCVHSTTA-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735550844 599617078 /nfs/dbraw/zinc/61/70/78/599617078.db2.gz LZRAGDOPNBMPKY-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735550844 599617080 /nfs/dbraw/zinc/61/70/80/599617080.db2.gz LZRAGDOPNBMPKY-VIFPVBQESA-N -2 3 363.424 1.537 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000819867462 599619584 /nfs/dbraw/zinc/61/95/84/599619584.db2.gz SLWLNUGDWVTYKL-JTQLQIEISA-N -2 3 361.383 1.209 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000819867462 599619585 /nfs/dbraw/zinc/61/95/85/599619585.db2.gz SLWLNUGDWVTYKL-JTQLQIEISA-N -2 3 361.383 1.209 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)(C)C ZINC000819764114 599624585 /nfs/dbraw/zinc/62/45/85/599624585.db2.gz FMDXQRUXIJGBHV-DHZHZOJOSA-N -2 3 363.443 1.972 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)(C)C ZINC000819764114 599624586 /nfs/dbraw/zinc/62/45/86/599624586.db2.gz FMDXQRUXIJGBHV-DHZHZOJOSA-N -2 3 363.443 1.972 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000820847949 599684348 /nfs/dbraw/zinc/68/43/48/599684348.db2.gz NMDLXKGYHMUGHF-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000820847949 599684349 /nfs/dbraw/zinc/68/43/49/599684349.db2.gz NMDLXKGYHMUGHF-UHFFFAOYSA-N -2 3 351.432 1.806 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)o1 ZINC000740176430 599769342 /nfs/dbraw/zinc/76/93/42/599769342.db2.gz CJXHHVWXCPDKLD-UHFFFAOYSA-N -2 3 361.379 1.685 20 0 FDADHL CCN(CC)C(=O)C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCCC1 ZINC000737078124 599773101 /nfs/dbraw/zinc/77/31/01/599773101.db2.gz JNLISPYFPOTMPZ-UHFFFAOYSA-N -2 3 372.443 1.827 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)o1 ZINC000740176451 599773866 /nfs/dbraw/zinc/77/38/66/599773866.db2.gz DRYNTMKEWARBDA-UHFFFAOYSA-N -2 3 361.379 1.701 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000740175089 599775134 /nfs/dbraw/zinc/77/51/34/599775134.db2.gz DQGVSTCGNQILHV-LLVKDONJSA-N -2 3 368.386 1.922 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262420685 599776262 /nfs/dbraw/zinc/77/62/62/599776262.db2.gz QBYZKIXIBBGMFY-SFYZADRCSA-N -2 3 366.317 1.736 20 0 FDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000645960591 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1.973 20 0 FDADHL CCCCn1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821083102 607466248 /nfs/dbraw/zinc/46/62/48/607466248.db2.gz UBTUNBCKLPTTGR-UHFFFAOYSA-N -2 3 361.431 1.973 20 0 FDADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000831073194 600775712 /nfs/dbraw/zinc/77/57/12/600775712.db2.gz NNYWZCQVSZYIKN-LLVKDONJSA-N -2 3 353.352 1.213 20 0 FDADHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000028259399 600810131 /nfs/dbraw/zinc/81/01/31/600810131.db2.gz XTRJELCEOJMNTG-UHFFFAOYSA-N -2 3 362.407 1.783 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1C(=O)[O-] ZINC000832973184 600831791 /nfs/dbraw/zinc/83/17/91/600831791.db2.gz YXNXKOMFLJUUJK-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000737167943 600906948 /nfs/dbraw/zinc/90/69/48/600906948.db2.gz JXOQUFMRQCKKNO-LLVKDONJSA-N -2 3 362.382 1.160 20 0 FDADHL CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000830624098 601201728 /nfs/dbraw/zinc/20/17/28/601201728.db2.gz UFBKMRHCHJCKMJ-UHFFFAOYSA-N -2 3 365.411 1.407 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)cc1C(=O)[O-] ZINC000833027590 601217182 /nfs/dbraw/zinc/21/71/82/601217182.db2.gz HKSNIBZVSIBYET-UHFFFAOYSA-N -2 3 365.411 1.629 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)c1F ZINC000390012163 601230305 /nfs/dbraw/zinc/23/03/05/601230305.db2.gz OEWKASDYSYIISI-UHFFFAOYSA-N -2 3 363.260 1.520 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c1F ZINC000776469425 601238149 /nfs/dbraw/zinc/23/81/49/601238149.db2.gz NDFDXAKYMLWXMV-LLVKDONJSA-N -2 3 365.354 1.529 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)s1 ZINC000831444619 601266093 /nfs/dbraw/zinc/26/60/93/601266093.db2.gz HVGRLGHVBNUQFY-UHFFFAOYSA-N -2 3 361.441 1.991 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)c(C)o1 ZINC000831029149 601289950 /nfs/dbraw/zinc/28/99/50/601289950.db2.gz IXIYAXSCJMZIMH-UHFFFAOYSA-N -2 3 354.340 1.152 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])co2)ccc1F ZINC000831034011 601682627 /nfs/dbraw/zinc/68/26/27/601682627.db2.gz HXFMNANVSKYPQW-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000831033791 601682713 /nfs/dbraw/zinc/68/27/13/601682713.db2.gz FFUAYLCFSQJDGP-AWEZNQCLSA-N -2 3 367.354 1.717 20 0 FDADHL O=C([O-])[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000531747797 601703404 /nfs/dbraw/zinc/70/34/04/601703404.db2.gz YDXFUBRWOFKZGC-CYBMUJFWSA-N -2 3 365.183 1.884 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1nc(-c2cccnc2)no1 ZINC000827554118 601785003 /nfs/dbraw/zinc/78/50/03/601785003.db2.gz TWDJXNDNTYLTJX-JQWIXIFHSA-N -2 3 368.415 1.469 20 0 FDADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826073120 607533997 /nfs/dbraw/zinc/53/39/97/607533997.db2.gz FTRXEACHFJZZIA-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826073120 607534000 /nfs/dbraw/zinc/53/40/00/607534000.db2.gz FTRXEACHFJZZIA-UHFFFAOYSA-N -2 3 372.410 1.336 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)o1 ZINC000833323142 602225131 /nfs/dbraw/zinc/22/51/31/602225131.db2.gz DVAASOOIFGVZAU-JTQLQIEISA-N -2 3 353.352 1.486 20 0 FDADHL Cn1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(=O)[O-] ZINC000833047966 602358705 /nfs/dbraw/zinc/35/87/05/602358705.db2.gz AQDAIZOHVCOCSC-UHFFFAOYSA-N -2 3 372.381 1.419 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCN(C(=O)[O-])C(C)C ZINC000740246268 602389437 /nfs/dbraw/zinc/38/94/37/602389437.db2.gz MNSJOKWBSIMWKT-UHFFFAOYSA-N -2 3 352.844 1.439 20 0 FDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COCCNC(=O)[O-])c2)n1 ZINC000739537080 602661603 /nfs/dbraw/zinc/66/16/03/602661603.db2.gz ZBUWBERBFZMCMK-UHFFFAOYSA-N -2 3 360.370 1.634 20 0 FDADHL C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000739008470 602688636 /nfs/dbraw/zinc/68/86/36/602688636.db2.gz LZSYXIQSTAYQAU-SECBINFHSA-N -2 3 360.370 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603491230 /nfs/dbraw/zinc/49/12/30/603491230.db2.gz AVIBXCYYDLWEDE-UHFFFAOYSA-N -2 3 362.404 1.479 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCCNC(=O)[O-])sc1Br ZINC000830132137 603506221 /nfs/dbraw/zinc/50/62/21/603506221.db2.gz DHLWGAAPLUXUAH-UHFFFAOYSA-N -2 3 357.251 1.755 20 0 FDADHL CC(C)[C@H](CCN(C)C(=O)CNC(=O)c1ccc([O-])cc1)NC(=O)[O-] ZINC000824077626 603606835 /nfs/dbraw/zinc/60/68/35/603606835.db2.gz FGLHIYRDUWDBHH-AWEZNQCLSA-N -2 3 351.403 1.263 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)ccc1F ZINC000828579311 603757202 /nfs/dbraw/zinc/75/72/02/603757202.db2.gz KASPKEKCJXDSAY-UHFFFAOYSA-N -2 3 373.406 1.044 20 0 FDADHL O=C([O-])N1CC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740488229 604413046 /nfs/dbraw/zinc/41/30/46/604413046.db2.gz BICQRFVILCQXEH-UHFFFAOYSA-N -2 3 358.725 1.999 20 0 FDADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000832340927 604555426 /nfs/dbraw/zinc/55/54/26/604555426.db2.gz RUEPATFVOONMMI-JSGCOSHPSA-N -2 3 361.398 1.113 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)[C@@H]2CCCCN2C(=O)[O-])c(C)o1 ZINC000828579385 604659771 /nfs/dbraw/zinc/65/97/71/604659771.db2.gz LDLYHNSUXVDHMO-PWSUYJOCSA-N -2 3 374.415 1.574 20 0 FDADHL CC(C)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)Nc1nccs1 ZINC000833485011 604703605 /nfs/dbraw/zinc/70/36/05/604703605.db2.gz WLMMRRNDNMKKQL-NXEZZACHSA-N -2 3 363.461 1.136 20 0 FDADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000831374806 604798945 /nfs/dbraw/zinc/79/89/45/604798945.db2.gz VZCNSKFRPRRCHB-UHFFFAOYSA-N -3 3 369.326 1.817 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000833716170 604808436 /nfs/dbraw/zinc/80/84/36/604808436.db2.gz SXHNJIIFMGWJHQ-MLGOLLRUSA-N -2 3 373.402 1.924 20 0 FDADHL C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824654705 604851743 /nfs/dbraw/zinc/85/17/43/604851743.db2.gz GZUMRYORZKFKRC-GFCCVEGCSA-N -2 3 372.429 1.899 20 0 FDADHL C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824654705 604851749 /nfs/dbraw/zinc/85/17/49/604851749.db2.gz GZUMRYORZKFKRC-GFCCVEGCSA-N -2 3 372.429 1.899 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000262440460 605039861 /nfs/dbraw/zinc/03/98/61/605039861.db2.gz HNKDUBBFEUBAGH-SNVBAGLBSA-N -2 3 361.391 1.638 20 0 FDADHL CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000393407458 605049812 /nfs/dbraw/zinc/04/98/12/605049812.db2.gz UFDFUSCHCDCVQZ-QMMMGPOBSA-N -2 3 351.371 1.738 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CNC(=O)[O-])nc1Cl ZINC000831014068 605184272 /nfs/dbraw/zinc/18/42/72/605184272.db2.gz LIDYZSZFFIOBCO-IUCAKERBSA-N -2 3 350.828 1.178 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCOc1ccccc1C(=O)[O-] ZINC000833426058 605192699 /nfs/dbraw/zinc/19/26/99/605192699.db2.gz MVQSWRMNPFAWQO-ZDUSSCGKSA-N -2 3 373.427 1.271 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC000833733482 605240729 /nfs/dbraw/zinc/24/07/29/605240729.db2.gz IOMIOKGKNAWNTJ-UHFFFAOYSA-N -3 3 353.352 1.665 20 0 FDADHL O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]21 ZINC000834179196 605313528 /nfs/dbraw/zinc/31/35/28/605313528.db2.gz LARJGMFMDLUUTP-CUOATXAZSA-N -2 3 372.381 1.470 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)c([O-])c1 ZINC000830217586 605364636 /nfs/dbraw/zinc/36/46/36/605364636.db2.gz ZZMYXXOOMMUTJU-OLZOCXBDSA-N -2 3 363.414 1.468 20 0 FDADHL Cc1nc(C)c(CCC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c(=O)[n-]1 ZINC000833755055 605456735 /nfs/dbraw/zinc/45/67/35/605456735.db2.gz XISOXVFWXGBLPO-UHFFFAOYSA-N -2 3 359.382 1.858 20 0 FDADHL Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCCc3n[nH]c(=O)[n-]3)c2c1 ZINC000822195541 606126819 /nfs/dbraw/zinc/12/68/19/606126819.db2.gz VGSXAVYUTCXCDI-UHFFFAOYSA-N -2 3 365.401 1.322 20 0 FDADHL Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCCc3n[nH]c(=O)[n-]3)c2c1 ZINC000822195541 606126821 /nfs/dbraw/zinc/12/68/21/606126821.db2.gz VGSXAVYUTCXCDI-UHFFFAOYSA-N -2 3 365.401 1.322 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)C1CCCC1 ZINC000822222788 606178771 /nfs/dbraw/zinc/17/87/71/606178771.db2.gz SVRHCKXTCGZZQA-LLVKDONJSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)C1CCCC1 ZINC000822222788 606178772 /nfs/dbraw/zinc/17/87/72/606178772.db2.gz SVRHCKXTCGZZQA-LLVKDONJSA-N -2 3 363.443 1.806 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc2O1 ZINC000820814416 606210198 /nfs/dbraw/zinc/21/01/98/606210198.db2.gz VCIQUSLVRMFJAT-VIFPVBQESA-N -2 3 373.394 1.697 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc2cccnc21 ZINC000823583150 606212249 /nfs/dbraw/zinc/21/22/49/606212249.db2.gz JASFDHYLBKQYCC-UHFFFAOYSA-N -2 3 368.378 1.921 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc2c(c1)CCO2 ZINC000823583282 606212609 /nfs/dbraw/zinc/21/26/09/606212609.db2.gz KLOXMUCUUDMOBS-UHFFFAOYSA-N -2 3 359.367 1.308 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821845130 606459945 /nfs/dbraw/zinc/45/99/45/606459945.db2.gz BGQKSJCURHNDLF-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821845130 606459946 /nfs/dbraw/zinc/45/99/46/606459946.db2.gz BGQKSJCURHNDLF-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1ccoc1 ZINC000822222421 606614891 /nfs/dbraw/zinc/61/48/91/606614891.db2.gz GGDOQAHQJSIVNL-UHFFFAOYSA-N -2 3 361.383 1.206 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1ccoc1 ZINC000822222421 606614892 /nfs/dbraw/zinc/61/48/92/606614892.db2.gz GGDOQAHQJSIVNL-UHFFFAOYSA-N -2 3 361.383 1.206 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820674558 606626857 /nfs/dbraw/zinc/62/68/57/606626857.db2.gz FGVPOTPSKRYELZ-NASPGAHYSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820674558 606626859 /nfs/dbraw/zinc/62/68/59/606626859.db2.gz FGVPOTPSKRYELZ-NASPGAHYSA-N -2 3 361.427 1.559 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@@H](C)C1 ZINC000822222775 606629184 /nfs/dbraw/zinc/62/91/84/606629184.db2.gz SNFWWVOMIWSPDN-ZDIKFAODSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=C1CC[C@@H](C)C1 ZINC000822222775 606629186 /nfs/dbraw/zinc/62/91/86/606629186.db2.gz SNFWWVOMIWSPDN-ZDIKFAODSA-N -2 3 361.427 1.726 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822267082 606709528 /nfs/dbraw/zinc/70/95/28/606709528.db2.gz OAGUUVDEWNSQEN-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000822623100 606711471 /nfs/dbraw/zinc/71/14/71/606711471.db2.gz OMCMZAYVYYDETQ-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821559036 606758737 /nfs/dbraw/zinc/75/87/37/606758737.db2.gz QBFQEQJWCULZJX-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821559036 606758739 /nfs/dbraw/zinc/75/87/39/606758739.db2.gz QBFQEQJWCULZJX-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000822284338 606758986 /nfs/dbraw/zinc/75/89/86/606758986.db2.gz PEVHXUIOOBKCLL-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000822284338 606758987 /nfs/dbraw/zinc/75/89/87/606758987.db2.gz PEVHXUIOOBKCLL-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583345 606780105 /nfs/dbraw/zinc/78/01/05/606780105.db2.gz NYKOMGHVONIEDA-UHFFFAOYSA-N -2 3 374.430 1.833 20 0 FDADHL CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820086584 607102333 /nfs/dbraw/zinc/10/23/33/607102333.db2.gz AXJPUCQCQQIDRD-GFCCVEGCSA-N -2 3 361.402 1.593 20 0 FDADHL CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820086584 607102335 /nfs/dbraw/zinc/10/23/35/607102335.db2.gz AXJPUCQCQQIDRD-GFCCVEGCSA-N -2 3 361.402 1.593 20 0 FDADHL C[C@@](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)(C(=O)[O-])c1ccccc1 ZINC000820328023 607103745 /nfs/dbraw/zinc/10/37/45/607103745.db2.gz LSXVBKKLSROOMC-SFHVURJKSA-N -2 3 367.365 1.362 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820543456 607108378 /nfs/dbraw/zinc/10/83/78/607108378.db2.gz YUDBDPZJSQPXPX-LLVKDONJSA-N -2 3 367.365 1.900 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820543456 607108380 /nfs/dbraw/zinc/10/83/80/607108380.db2.gz YUDBDPZJSQPXPX-LLVKDONJSA-N -2 3 367.365 1.900 20 0 FDADHL O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823387633 607207109 /nfs/dbraw/zinc/20/71/09/607207109.db2.gz RVHNLWURWDJQBD-UHFFFAOYSA-N -2 3 359.367 1.507 20 0 FDADHL O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823387633 607207110 /nfs/dbraw/zinc/20/71/10/607207110.db2.gz RVHNLWURWDJQBD-UHFFFAOYSA-N -2 3 359.367 1.507 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492734 607251149 /nfs/dbraw/zinc/25/11/49/607251149.db2.gz VJQZXIRLRKWMGU-UHFFFAOYSA-N -2 3 357.395 1.548 20 0 FDADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492734 607251150 /nfs/dbraw/zinc/25/11/50/607251150.db2.gz VJQZXIRLRKWMGU-UHFFFAOYSA-N -2 3 357.395 1.548 20 0 FDADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825776782 607847430 /nfs/dbraw/zinc/84/74/30/607847430.db2.gz KMVZHEPTHHMTJJ-UHFFFAOYSA-N -2 3 352.351 1.665 20 0 FDADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825776782 607847431 /nfs/dbraw/zinc/84/74/31/607847431.db2.gz KMVZHEPTHHMTJJ-UHFFFAOYSA-N -2 3 352.351 1.665 20 0 FDADHL Cc1cccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826302035 608011386 /nfs/dbraw/zinc/01/13/86/608011386.db2.gz YQKKVVFSKWJZAL-LLVKDONJSA-N -2 3 365.415 1.051 20 0 FDADHL Cc1cccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826302035 608011387 /nfs/dbraw/zinc/01/13/87/608011387.db2.gz YQKKVVFSKWJZAL-LLVKDONJSA-N -2 3 365.415 1.051 20 0 FDADHL O=S(=O)([N-]c1cn[nH]c1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826493000 608057861 /nfs/dbraw/zinc/05/78/61/608057861.db2.gz ODSGTALECPSUJU-UHFFFAOYSA-N -2 3 370.192 1.153 20 0 FDADHL O=S(=O)([N-]c1cn[nH]c1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826493000 608057862 /nfs/dbraw/zinc/05/78/62/608057862.db2.gz ODSGTALECPSUJU-UHFFFAOYSA-N -2 3 370.192 1.153 20 0 FDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826339532 608141456 /nfs/dbraw/zinc/14/14/56/608141456.db2.gz IGPHLFHIGYTQTK-UHFFFAOYSA-N -2 3 374.382 1.159 20 0 FDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826339532 608141457 /nfs/dbraw/zinc/14/14/57/608141457.db2.gz IGPHLFHIGYTQTK-UHFFFAOYSA-N -2 3 374.382 1.159 20 0 FDADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000825342213 608527908 /nfs/dbraw/zinc/52/79/08/608527908.db2.gz RPPIWKTVXNRHSS-UHFFFAOYSA-N -2 3 360.399 1.851 20 0 FDADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000825342213 608527910 /nfs/dbraw/zinc/52/79/10/608527910.db2.gz RPPIWKTVXNRHSS-UHFFFAOYSA-N -2 3 360.399 1.851 20 0 FDADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826300320 609156620 /nfs/dbraw/zinc/15/66/20/609156620.db2.gz POWJXADGRFJIJN-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826300320 609156621 /nfs/dbraw/zinc/15/66/21/609156621.db2.gz POWJXADGRFJIJN-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL CC(=O)c1ccc([O-])c(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000824024828 609284809 /nfs/dbraw/zinc/28/48/09/609284809.db2.gz QODCJRLXRFIRDL-UHFFFAOYSA-N -2 3 353.338 1.792 20 0 FDADHL CC(=O)c1ccc([O-])c(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000824024828 609284811 /nfs/dbraw/zinc/28/48/11/609284811.db2.gz QODCJRLXRFIRDL-UHFFFAOYSA-N -2 3 353.338 1.792 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000826256571 609522021 /nfs/dbraw/zinc/52/20/21/609522021.db2.gz PWVGKKIFFWDCCP-UHFFFAOYSA-N -2 3 363.403 1.656 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000826256571 609522023 /nfs/dbraw/zinc/52/20/23/609522023.db2.gz PWVGKKIFFWDCCP-UHFFFAOYSA-N -2 3 363.403 1.656 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cnn1C ZINC000826242827 609530683 /nfs/dbraw/zinc/53/06/83/609530683.db2.gz HVMCVNNQEPVGST-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cnn1C ZINC000826242827 609530685 /nfs/dbraw/zinc/53/06/85/609530685.db2.gz HVMCVNNQEPVGST-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C1=O ZINC000273661545 674560405 /nfs/dbraw/zinc/56/04/05/674560405.db2.gz IEHLUVDURWBHIA-QMMMGPOBSA-N -2 3 367.210 1.201 20 0 FDADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276902364 674800107 /nfs/dbraw/zinc/80/01/07/674800107.db2.gz LVXXVCFMKGCXSJ-SSDOTTSWSA-N -2 3 372.624 1.216 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccccc2)o1 ZINC000031548934 670851608 /nfs/dbraw/zinc/85/16/08/670851608.db2.gz XJVSXVURKQRYDX-UHFFFAOYSA-N -2 3 365.411 1.431 20 0 FDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c(=O)[n-]1 ZINC000048461428 671071588 /nfs/dbraw/zinc/07/15/88/671071588.db2.gz MATWUUOZRUQNOQ-UHFFFAOYSA-N -2 3 361.832 1.990 20 0 FDADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c2ccccc12 ZINC000055546282 671236108 /nfs/dbraw/zinc/23/61/08/671236108.db2.gz JVIWTWPORPSCAW-UHFFFAOYSA-N -2 3 357.391 1.867 20 0 FDADHL CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)c1C ZINC000195171776 672399312 /nfs/dbraw/zinc/39/93/12/672399312.db2.gz DJRDKNCAHUQUDA-UHFFFAOYSA-N -2 3 366.443 1.906 20 0 FDADHL CC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)c1C ZINC000195171776 672399315 /nfs/dbraw/zinc/39/93/15/672399315.db2.gz DJRDKNCAHUQUDA-UHFFFAOYSA-N -2 3 366.443 1.906 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262254907 672755626 /nfs/dbraw/zinc/75/56/26/672755626.db2.gz RCKNDYAOFYMDKT-JTQLQIEISA-N -2 3 354.197 1.976 20 0 FDADHL CSc1nc(C)c(CCC(=O)N=c2ccnc3n(C)[n-]cc2-3)c(=O)[n-]1 ZINC000279123058 675245717 /nfs/dbraw/zinc/24/57/17/675245717.db2.gz ATCDLJYDXGUGTO-NDENLUEZSA-N -2 3 358.427 1.439 20 0 FDADHL CC(C)OCCS(=O)(=O)[N-]c1cccc(-c2nccn2CC(=O)[O-])c1 ZINC000362336539 676915388 /nfs/dbraw/zinc/91/53/88/676915388.db2.gz OXUQNPHNCOEYFY-UHFFFAOYSA-N -2 3 367.427 1.801 20 0 FDADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000421159626 680612130 /nfs/dbraw/zinc/61/21/30/680612130.db2.gz XBMZCYAEQNIEEU-LBPRGKRZSA-N -2 3 364.489 1.861 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000436669091 681715034 /nfs/dbraw/zinc/71/50/34/681715034.db2.gz ZRQULELBSYJHDO-UHFFFAOYSA-N -2 3 350.352 1.079 20 0 FDADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000438725227 681876789 /nfs/dbraw/zinc/87/67/89/681876789.db2.gz NWBMVEHQHVDDRG-UHFFFAOYSA-N -2 3 360.391 1.908 20 0 FDADHL Cc1ncc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000443456719 682301624 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FDADHL COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001599685617 990983231 /nfs/dbraw/zinc/98/32/31/990983231.db2.gz LETAZVSBPOZEHT-WDEREUQCSA-N -2 3 354.409 1.684 20 0 FDADHL CN(C)c1nc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc(=O)[n-]1 ZINC001598354606 991470748 /nfs/dbraw/zinc/47/07/48/991470748.db2.gz NNIPQROPHSUQTE-LLVKDONJSA-N -2 3 362.361 1.061 20 0 FDADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(C(=O)[O-])n2)ccc1F ZINC001599759920 992106684 /nfs/dbraw/zinc/10/66/84/992106684.db2.gz NJIVMJZXJWIXPH-UHFFFAOYSA-N -2 3 368.342 1.647 20 0 FDADHL CN1CC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001598588839 993423673 /nfs/dbraw/zinc/42/36/73/993423673.db2.gz IZTFSSMPQWKOBD-ZCFIWIBFSA-N -2 3 369.262 1.191 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001593131578 993883061 /nfs/dbraw/zinc/88/30/61/993883061.db2.gz QPLLOBGTHXRDJV-IUCAKERBSA-N -2 3 362.404 1.558 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001598659399 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-2 3 356.787 1.973 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC001599385152 996931734 /nfs/dbraw/zinc/93/17/34/996931734.db2.gz PMDXZXKARLXTRA-VIFPVBQESA-N -2 3 363.335 1.047 20 0 FDADHL COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC001598910519 997360920 /nfs/dbraw/zinc/36/09/20/997360920.db2.gz JRZWHSUGZIARQA-QMMMGPOBSA-N -2 3 353.755 1.218 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccoc1C(=O)[O-] ZINC001598913780 997416450 /nfs/dbraw/zinc/41/64/50/997416450.db2.gz FYTFJQIXSRMCCR-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599327336 997686981 /nfs/dbraw/zinc/68/69/81/997686981.db2.gz KFVPICFHYYISIZ-YPMHNXCESA-N -2 3 351.384 1.007 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001598928907 997704499 /nfs/dbraw/zinc/70/44/99/997704499.db2.gz MMLRZIJOIUESLL-CMPLNLGQSA-N -2 3 373.402 1.842 20 0 FDADHL COC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)OC ZINC001599164828 998523320 /nfs/dbraw/zinc/52/33/20/998523320.db2.gz CZGUOPFZPUDVHK-SSDOTTSWSA-N -2 3 355.771 1.117 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001599013786 998921505 /nfs/dbraw/zinc/92/15/05/998921505.db2.gz KXUSIXHTAJOKMD-HNNXBMFYSA-N -2 3 369.420 1.813 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCC1 ZINC001599016959 998946709 /nfs/dbraw/zinc/94/67/09/998946709.db2.gz CGKOORZMHCAROS-UHFFFAOYSA-N -2 3 362.429 1.243 20 0 FDADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC001599021891 998987017 /nfs/dbraw/zinc/98/70/17/998987017.db2.gz GZUSRXHLFRENFZ-LURJTMIESA-N -2 3 357.356 1.230 20 0 FDADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-] ZINC001599022363 998990920 /nfs/dbraw/zinc/99/09/20/998990920.db2.gz YKEMUYCGWRWXIE-GFCCVEGCSA-N -2 3 353.393 1.324 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-]C/C=C(\C)C(=O)[O-])c(C)c1Cl ZINC001599022373 998990979 /nfs/dbraw/zinc/99/09/79/998990979.db2.gz HSMGHKYQYBNSAT-GQCTYLIASA-N -2 3 367.832 1.806 20 0 FDADHL C[C@@](CNC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])c1ccccc1 ZINC000193070988 1010669341 /nfs/dbraw/zinc/66/93/41/1010669341.db2.gz KIPUATAHLHBKON-IBGZPJMESA-N -2 3 351.362 1.695 20 0 FDADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1F ZINC000507572185 538919582 /nfs/dbraw/zinc/91/95/82/538919582.db2.gz XYFNJTXUPGLSAP-UHFFFAOYSA-N -2 3 350.418 1.596 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000262488716 178745433 /nfs/dbraw/zinc/74/54/33/178745433.db2.gz UCJPBZRKQGYDIK-JTQLQIEISA-N -2 3 361.416 1.654 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1OC ZINC000263511638 178924234 /nfs/dbraw/zinc/92/42/34/178924234.db2.gz YAPUQCVVVJKFMR-SNVBAGLBSA-N -2 3 373.431 1.641 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cccc(Cl)c2[O-])cn1C ZINC000522976438 539591931 /nfs/dbraw/zinc/59/19/31/539591931.db2.gz RHQQRFQWWVBNFK-UHFFFAOYSA-N -2 3 358.807 1.005 20 0 FDADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])OC)c1 ZINC000530149027 539896120 /nfs/dbraw/zinc/89/61/20/539896120.db2.gz LXVSDMFSQODJGF-NSHDSACASA-N -2 3 372.424 1.516 20 0 FDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])c1 ZINC000530436055 539973117 /nfs/dbraw/zinc/97/31/17/539973117.db2.gz SOUITRJRGPOOQU-SECBINFHSA-N -2 3 363.848 1.647 20 0 FDADHL Cc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000530576578 540004107 /nfs/dbraw/zinc/00/41/07/540004107.db2.gz MEDUHTBMHOYHOG-RYUDHWBXSA-N -2 3 359.430 1.737 20 0 FDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)[O-] ZINC000274028260 181014464 /nfs/dbraw/zinc/01/44/64/181014464.db2.gz AKRVLCNLMIRDDA-SNVBAGLBSA-N -2 3 369.848 1.275 20 0 FDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000274919292 181194626 /nfs/dbraw/zinc/19/46/26/181194626.db2.gz AUNLPDQDNXSCAR-OAHLLOKOSA-N -2 3 358.391 1.490 20 0 FDADHL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cnc(C)s2)c1 ZINC000274941584 181201626 /nfs/dbraw/zinc/20/16/26/181201626.db2.gz RAHBMKBQHZXLEE-LBPRGKRZSA-N -2 3 356.425 1.954 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c1 ZINC000275159879 181252291 /nfs/dbraw/zinc/25/22/91/181252291.db2.gz AHNQOSLPABUWCU-UHFFFAOYSA-N -2 3 351.428 1.645 20 0 FDADHL C[C@@]1(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000536411507 540590516 /nfs/dbraw/zinc/59/05/16/540590516.db2.gz ZBNOVHHRSNYPNR-SFHVURJKSA-N -2 3 353.334 1.692 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1 ZINC000537197684 540699536 /nfs/dbraw/zinc/69/95/36/540699536.db2.gz WOMIVFAQPCHEDZ-UHFFFAOYSA-N -2 3 361.383 1.392 20 0 FDADHL Cc1cc(=NC(=O)c2cnc([O-])n(C)c2=O)[n-]n1-c1ccccc1Cl ZINC000537491548 540734820 /nfs/dbraw/zinc/73/48/20/540734820.db2.gz GUGANIQOPNPXOD-UHFFFAOYSA-N -2 3 359.773 1.886 20 0 FDADHL C[C@]1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCOC1 ZINC000537869431 540787095 /nfs/dbraw/zinc/78/70/95/540787095.db2.gz PECFWIJYPPEFHZ-ZDUSSCGKSA-N -2 3 366.436 1.045 20 0 FDADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000538299629 540839293 /nfs/dbraw/zinc/83/92/93/540839293.db2.gz ZIWMRSWVWGUZNY-UHFFFAOYSA-N -3 3 353.352 1.908 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)s1 ZINC000538755887 540888183 /nfs/dbraw/zinc/88/81/83/540888183.db2.gz VIJIGQXUUBLBCJ-LLVKDONJSA-N -2 3 366.424 1.003 20 0 FDADHL Cc1ccc([O-])c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000541532492 541225541 /nfs/dbraw/zinc/22/55/41/541225541.db2.gz APUUJGJTYUTNRG-UHFFFAOYSA-N -2 3 361.832 1.728 20 0 FDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)(C(=O)[O-])C1(C)C ZINC000275636175 181373877 /nfs/dbraw/zinc/37/38/77/181373877.db2.gz MPDIWEKWDAUMPT-SDBXPKJASA-N -2 3 365.839 1.010 20 0 FDADHL C[C@]1(c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O ZINC000542781452 541469001 /nfs/dbraw/zinc/46/90/01/541469001.db2.gz WYNGTNBJDWLMTR-PJYBLOJUSA-N -2 3 359.382 1.571 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])c(C)o1 ZINC000543786529 541661246 /nfs/dbraw/zinc/66/12/46/541661246.db2.gz GKTXUOMJYBEUNW-UHFFFAOYSA-N -2 3 371.367 1.707 20 0 FDADHL C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000544103376 541712993 /nfs/dbraw/zinc/71/29/93/541712993.db2.gz VUVFLNLQPBFXEZ-NOZJJQNGSA-N -2 3 366.436 1.043 20 0 FDADHL COCCOc1ccccc1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000570568048 549328674 /nfs/dbraw/zinc/32/86/74/549328674.db2.gz DIDYPIYVOBCVBM-UHFFFAOYSA-N -2 3 372.424 1.345 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000284101707 182365669 /nfs/dbraw/zinc/36/56/69/182365669.db2.gz WEISTXJCTPUTQT-BDAKNGLRSA-N -2 3 367.855 1.317 20 0 FDADHL C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])NC(=O)[N-]C1=O ZINC000286184955 183008791 /nfs/dbraw/zinc/00/87/91/183008791.db2.gz LCIYLDBSMNKDBA-HWPZZCPQSA-N -2 3 351.790 1.638 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000295253066 184050130 /nfs/dbraw/zinc/05/01/30/184050130.db2.gz WYSPKOLUJXGMPA-SNVBAGLBSA-N -2 3 367.383 1.138 20 0 FDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296916049 184214175 /nfs/dbraw/zinc/21/41/75/184214175.db2.gz KJSGHSFKQOEZBN-YFKPBYRVSA-N -2 3 357.613 1.639 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000269987047 674147510 /nfs/dbraw/zinc/14/75/10/674147510.db2.gz SRABYIMZMLYNGU-UHFFFAOYSA-N -2 3 361.470 1.932 20 0 FDADHL Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)OCO3)sc1C(=O)[O-] ZINC000547552152 542370932 /nfs/dbraw/zinc/37/09/32/542370932.db2.gz ASGKUZPEZYUXMJ-UHFFFAOYSA-N -2 3 356.381 1.357 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])s1 ZINC000547550920 542370859 /nfs/dbraw/zinc/37/08/59/542370859.db2.gz UCCIXPOHNPERMD-LLVKDONJSA-N -2 3 355.441 1.377 20 0 FDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547571530 542379005 /nfs/dbraw/zinc/37/90/05/542379005.db2.gz YAVFDACCJUUQGT-ZETCQYMHSA-N -2 3 362.791 1.696 20 0 FDADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C(=O)[O-])n1 ZINC000547574007 542380268 /nfs/dbraw/zinc/38/02/68/542380268.db2.gz DXSFMZUKJVORLZ-CQSZACIVSA-N -2 3 373.381 1.351 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000547553131 542371991 /nfs/dbraw/zinc/37/19/91/542371991.db2.gz BUORHBJVYOTFPB-RDDDGLTNSA-N -2 3 354.211 1.761 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000547554522 542372380 /nfs/dbraw/zinc/37/23/80/542372380.db2.gz PNUBCKNIKFUKCR-WRWORJQWSA-N -2 3 354.211 1.761 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000547555729 542373328 /nfs/dbraw/zinc/37/33/28/542373328.db2.gz HWBVFJATDYHLCM-LBPRGKRZSA-N -2 3 371.798 1.788 20 0 FDADHL Cc1nc(CC[N-]S(=O)(=O)c2cn(C(C)C)cn2)sc1C(=O)[O-] ZINC000547881263 542475371 /nfs/dbraw/zinc/47/53/71/542475371.db2.gz LOHAJAYAGAESBX-UHFFFAOYSA-N -2 3 358.445 1.448 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000547888279 542477972 /nfs/dbraw/zinc/47/79/72/542477972.db2.gz HBCNOJOCZIEWGX-NSHDSACASA-N -2 3 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ZINC000548206284 542585175 /nfs/dbraw/zinc/58/51/75/542585175.db2.gz SRZBZNOUAULMHL-QMMMGPOBSA-N -2 3 370.210 1.596 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])c1 ZINC000548249432 542600685 /nfs/dbraw/zinc/60/06/85/542600685.db2.gz YMSNBRBNNCRTDE-UHFFFAOYSA-N -2 3 370.408 1.149 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000548263337 542604694 /nfs/dbraw/zinc/60/46/94/542604694.db2.gz RQFLXOKQSDSOJN-JQWIXIFHSA-N -2 3 353.799 1.680 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)nc1C ZINC000548291177 542613076 /nfs/dbraw/zinc/61/30/76/542613076.db2.gz VSCSFMOGDABYGT-JSGCOSHPSA-N -2 3 371.459 1.292 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000548527183 542690912 /nfs/dbraw/zinc/69/09/12/542690912.db2.gz VLMGQSOFJWBITO-UHFFFAOYSA-N -3 3 365.319 1.613 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000548545414 542697936 /nfs/dbraw/zinc/69/79/36/542697936.db2.gz 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FDADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000521415149 567959988 /nfs/dbraw/zinc/95/99/88/567959988.db2.gz IRBSXEBLSLBOBZ-UHFFFAOYSA-N -2 3 370.333 1.580 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)ccc1[O-] ZINC000521421057 567985314 /nfs/dbraw/zinc/98/53/14/567985314.db2.gz PMNHTABJUUJSJJ-UHFFFAOYSA-N -2 3 355.397 1.709 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])s2)cs1 ZINC000521432229 568042298 /nfs/dbraw/zinc/04/22/98/568042298.db2.gz UFLGXBLQXRLVHQ-ZETCQYMHSA-N -2 3 350.418 1.881 20 0 FDADHL O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341002 598843778 /nfs/dbraw/zinc/84/37/78/598843778.db2.gz BNVGXBWKOYLRRG-UHFFFAOYSA-N -2 3 371.357 1.750 20 0 FDADHL O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341002 598843780 /nfs/dbraw/zinc/84/37/80/598843780.db2.gz BNVGXBWKOYLRRG-UHFFFAOYSA-N -2 3 371.357 1.750 20 0 FDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340513 598845982 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O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344703 599042852 /nfs/dbraw/zinc/04/28/52/599042852.db2.gz FXDYNKQWVQFRDC-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000735550218 599148884 /nfs/dbraw/zinc/14/88/84/599148884.db2.gz GLIKORVYHURVNN-SNVBAGLBSA-N -2 3 351.432 1.495 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000735550218 599148885 /nfs/dbraw/zinc/14/88/85/599148885.db2.gz GLIKORVYHURVNN-SNVBAGLBSA-N -2 3 351.432 1.495 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC000735974007 599218629 /nfs/dbraw/zinc/21/86/29/599218629.db2.gz DMBWJRACKZTBGX-LLVKDONJSA-N -2 3 360.399 1.124 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC000735974007 599218632 /nfs/dbraw/zinc/21/86/32/599218632.db2.gz DMBWJRACKZTBGX-LLVKDONJSA-N -2 3 360.399 1.124 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000821669354 599231302 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CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736413299 598416435 /nfs/dbraw/zinc/41/64/35/598416435.db2.gz YGQMNQHDIMRHPU-YWEYNIOJSA-N -2 3 355.807 1.681 20 0 FDADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737182385 598452480 /nfs/dbraw/zinc/45/24/80/598452480.db2.gz QVKAKYRASJSZML-UHFFFAOYSA-N -2 3 362.440 1.926 20 0 FDADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737182385 598452483 /nfs/dbraw/zinc/45/24/83/598452483.db2.gz QVKAKYRASJSZML-UHFFFAOYSA-N -2 3 362.440 1.926 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000738215980 598566332 /nfs/dbraw/zinc/56/63/32/598566332.db2.gz UGOXTCBYDVXPCP-UHFFFAOYSA-N -3 3 361.339 1.071 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736602896 598637354 /nfs/dbraw/zinc/63/73/54/598637354.db2.gz PYBPWKHWGYEOML-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736602896 598637355 /nfs/dbraw/zinc/63/73/55/598637355.db2.gz PYBPWKHWGYEOML-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735819708 598739402 /nfs/dbraw/zinc/73/94/02/598739402.db2.gz JOIHOGKADUNZTP-NSHDSACASA-N -2 3 367.431 1.126 20 0 FDADHL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735819708 598739403 /nfs/dbraw/zinc/73/94/03/598739403.db2.gz JOIHOGKADUNZTP-NSHDSACASA-N -2 3 367.431 1.126 20 0 FDADHL CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000736689440 598793378 /nfs/dbraw/zinc/79/33/78/598793378.db2.gz HNMSUJPHWYSEPL-UHFFFAOYSA-N -3 3 373.394 1.928 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000327248429 599300735 /nfs/dbraw/zinc/30/07/35/599300735.db2.gz OJBNLRXDNOOXHK-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC000819766177 599619575 /nfs/dbraw/zinc/61/95/75/599619575.db2.gz VUUVPVJVPONONN-PKNBQFBNSA-N -2 3 363.443 1.805 20 0 FDADHL CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC000819766177 599619576 /nfs/dbraw/zinc/61/95/76/599619576.db2.gz VUUVPVJVPONONN-PKNBQFBNSA-N -2 3 363.443 1.805 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822540967 599695454 /nfs/dbraw/zinc/69/54/54/599695454.db2.gz IMEMJSYFNMEIAC-UHFFFAOYSA-N -3 3 367.318 1.406 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822540967 599695455 /nfs/dbraw/zinc/69/54/55/599695455.db2.gz IMEMJSYFNMEIAC-UHFFFAOYSA-N -3 3 367.318 1.406 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)o1 ZINC000740177089 599769260 /nfs/dbraw/zinc/76/92/60/599769260.db2.gz AUAWXJIYAGMYGU-UHFFFAOYSA-N -2 3 351.384 1.452 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)o1 ZINC000740176724 599771581 /nfs/dbraw/zinc/77/15/81/599771581.db2.gz RXHSCKLNYNQDEZ-UHFFFAOYSA-N -2 3 364.379 1.583 20 0 FDADHL CC(C)[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nc(C2CC2)no1 ZINC000515379630 599775124 /nfs/dbraw/zinc/77/51/24/599775124.db2.gz JMZDSDNZYOSINZ-GFCCVEGCSA-N -2 3 372.447 1.275 20 0 FDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000736561822 599776471 /nfs/dbraw/zinc/77/64/71/599776471.db2.gz OJVKYKRINYWPRN-SECBINFHSA-N -2 3 362.404 1.559 20 0 FDADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000736863803 599797998 /nfs/dbraw/zinc/79/79/98/599797998.db2.gz PTZFQIGUFHKEGM-ZDUSSCGKSA-N -2 3 366.798 1.969 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826220973 607401036 /nfs/dbraw/zinc/40/10/36/607401036.db2.gz IWGCNWWOHWWXIA-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220973 607401038 /nfs/dbraw/zinc/40/10/38/607401038.db2.gz IWGCNWWOHWWXIA-UHFFFAOYSA-N -2 3 373.394 1.302 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1-n1cnnn1 ZINC000532417324 599906216 /nfs/dbraw/zinc/90/62/16/599906216.db2.gz MCOVFOYQMCFXMO-UHFFFAOYSA-N -2 3 373.394 1.778 20 0 FDADHL O=C([O-])CC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000739662407 599985018 /nfs/dbraw/zinc/98/50/18/599985018.db2.gz CXLIBXCEAFYQJM-HNNXBMFYSA-N -2 3 352.346 1.906 20 0 FDADHL O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC000738562637 600161154 /nfs/dbraw/zinc/16/11/54/600161154.db2.gz BXBWCEJNLSJKFM-OAHLLOKOSA-N -2 3 360.341 1.593 20 0 FDADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000325098494 600169617 /nfs/dbraw/zinc/16/96/17/600169617.db2.gz QPAAJHHVNRFTNK-UHFFFAOYSA-N -2 3 373.383 1.728 20 0 FDADHL CC(C)c1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1-c1cccc(F)c1 ZINC000736524472 600182746 /nfs/dbraw/zinc/18/27/46/600182746.db2.gz COAUCLAOVWCRJE-UHFFFAOYSA-N -2 3 373.348 1.527 20 0 FDADHL O=C([O-])c1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740244814 600452563 /nfs/dbraw/zinc/45/25/63/600452563.db2.gz LGANAKBAUYTWFW-CYBMUJFWSA-N -2 3 355.350 1.729 20 0 FDADHL Cn1cc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c(C(F)(F)F)n1 ZINC000739028505 600539548 /nfs/dbraw/zinc/53/95/48/600539548.db2.gz XTQDCWSEWDRUMI-UHFFFAOYSA-N -2 3 363.321 1.950 20 0 FDADHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nnn1-c1ccccc1 ZINC000738275872 600629397 /nfs/dbraw/zinc/62/93/97/600629397.db2.gz FKCDFXKHNOVBRH-UHFFFAOYSA-N -2 3 358.383 1.697 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1C(=O)[O-] ZINC000831326804 600687951 /nfs/dbraw/zinc/68/79/51/600687951.db2.gz AQSYYQIIQJWILR-NSHDSACASA-N -2 3 357.384 1.482 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)ccc1C(=O)[O-] ZINC000436670010 600831078 /nfs/dbraw/zinc/83/10/78/600831078.db2.gz CPOKLTDVJMLZHE-UHFFFAOYSA-N -3 3 351.336 1.898 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)ccc1O ZINC000740305526 600898957 /nfs/dbraw/zinc/89/89/57/600898957.db2.gz KPOGRUWUNSGVEI-UHFFFAOYSA-N -2 3 362.363 1.776 20 0 FDADHL COc1ccc(Nc2nc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)cs2)cc1 ZINC000832419324 600957302 /nfs/dbraw/zinc/95/73/02/600957302.db2.gz HLJNNWHQAWNBKF-UHFFFAOYSA-N -2 3 374.382 1.893 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)NC(C)(C)C ZINC000325987643 600994226 /nfs/dbraw/zinc/99/42/26/600994226.db2.gz FUAQIXXUVMNYHP-ZETCQYMHSA-N -2 3 364.370 1.245 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(-n3cncn3)c2)cc1C(=O)[O-] ZINC000833026770 601222452 /nfs/dbraw/zinc/22/24/52/601222452.db2.gz KEDFRTJXLYBEPQ-UHFFFAOYSA-N -2 3 362.367 1.345 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c1F ZINC000760099020 601229196 /nfs/dbraw/zinc/22/91/96/601229196.db2.gz AOCXOOSOUXBCIG-NSHDSACASA-N -2 3 351.327 1.139 20 0 FDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])s1 ZINC000261615677 601257812 /nfs/dbraw/zinc/25/78/12/601257812.db2.gz AZCNSSMFYNDUHN-UHFFFAOYSA-N -2 3 365.429 1.465 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c1F ZINC000760116858 601258247 /nfs/dbraw/zinc/25/82/47/601258247.db2.gz WZYVRYIMJUNTJP-UHFFFAOYSA-N -2 3 365.354 1.673 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)c(C)o1 ZINC000683304275 601273366 /nfs/dbraw/zinc/27/33/66/601273366.db2.gz PSWXDHSIKKUGRH-UHFFFAOYSA-N -2 3 352.368 1.755 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCn2c(=O)[nH]c3ccccc32)o1 ZINC000833323545 601401906 /nfs/dbraw/zinc/40/19/06/601401906.db2.gz ZMVOJJVFBOIEFN-UHFFFAOYSA-N -2 3 351.340 1.012 20 0 FDADHL O=C([O-])CCN(Cc1ccncc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000833234616 601510696 /nfs/dbraw/zinc/51/06/96/601510696.db2.gz QGEKHBRESFLFKL-UHFFFAOYSA-N -2 3 352.350 1.848 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)ccc1F ZINC000826980535 601593150 /nfs/dbraw/zinc/59/31/50/601593150.db2.gz NUVPVRVQTDVUMY-CYBMUJFWSA-N -2 3 358.391 1.105 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3F)C2)o1 ZINC000833323272 601594694 /nfs/dbraw/zinc/59/46/94/601594694.db2.gz NJESPYBLSVWETK-VIFPVBQESA-N -2 3 355.347 1.069 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)ccc1F ZINC000831029303 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3 362.429 1.346 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)OC[C@H]2CCCN2C(=O)[O-])c([O-])c1 ZINC000740107528 602928101 /nfs/dbraw/zinc/92/81/01/602928101.db2.gz PYCBWOVVFNFASI-GFCCVEGCSA-N -2 3 350.371 1.506 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000828700762 602952322 /nfs/dbraw/zinc/95/23/22/602952322.db2.gz ZBUAOAKFDPVTSB-TVQRCGJNSA-N -2 3 361.358 1.104 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)n[n-]1 ZINC000828700762 602952325 /nfs/dbraw/zinc/95/23/25/602952325.db2.gz ZBUAOAKFDPVTSB-TVQRCGJNSA-N -2 3 361.358 1.104 20 0 FDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cn1)NC(=O)[O-] ZINC000824801798 603109483 /nfs/dbraw/zinc/10/94/83/603109483.db2.gz FLLVTLRLHLGPCE-SSDOTTSWSA-N -2 3 352.210 1.169 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1OC ZINC000739513516 603283355 /nfs/dbraw/zinc/28/33/55/603283355.db2.gz FJWCWYXKDOOXSO-JTQLQIEISA-N -2 3 371.415 1.395 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)oc1C 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COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000547886405 542477500 /nfs/dbraw/zinc/47/75/00/542477500.db2.gz ABKCWHPREWTUDZ-LBPRGKRZSA-N -2 3 373.402 1.924 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1C(N)=O ZINC000547890286 542478713 /nfs/dbraw/zinc/47/87/13/542478713.db2.gz OSKATGCQBXNZTI-UHFFFAOYSA-N -2 3 370.333 1.871 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000547887997 542478139 /nfs/dbraw/zinc/47/81/39/542478139.db2.gz BVIGTNQWSGIGNA-JTQLQIEISA-N -2 3 374.371 1.173 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000547895272 542480703 /nfs/dbraw/zinc/48/07/03/542480703.db2.gz DFRCHQBAERFXOK-MRVPVSSYSA-N -2 3 350.418 1.242 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547893876 542479949 /nfs/dbraw/zinc/47/99/49/542479949.db2.gz ZAIFHVAYLNLOTR-IUODEOHRSA-N -2 3 359.400 1.550 20 0 FDADHL C[C@](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(CC(=O)[O-])C(=O)[O-] ZINC000547939929 542494205 /nfs/dbraw/zinc/49/42/05/542494205.db2.gz PHXBDXNMZKVZLJ-GFCCVEGCSA-N -3 3 370.210 1.837 20 0 FDADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-] ZINC000548193269 542579786 /nfs/dbraw/zinc/57/97/86/542579786.db2.gz VJSIEQFTMUHPHW-GWCFXTLKSA-N -3 3 357.384 1.564 20 0 FDADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000548197813 542581256 /nfs/dbraw/zinc/58/12/56/542581256.db2.gz SPYLVSGPFTUKSH-GWCFXTLKSA-N -2 3 359.375 1.997 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C)c1 ZINC000548207240 542586103 /nfs/dbraw/zinc/58/61/03/542586103.db2.gz HHBUCAFKRUGXMP-LBPRGKRZSA-N -2 3 369.420 1.947 20 0 FDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548261864 542603804 /nfs/dbraw/zinc/60/38/04/542603804.db2.gz FXRFFMWEKUJYFF-WDEREUQCSA-N -2 3 356.227 1.886 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000548263094 542604453 /nfs/dbraw/zinc/60/44/53/542604453.db2.gz PTBOQFOHYBFMKI-LBPRGKRZSA-N -2 3 373.383 1.778 20 0 FDADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])cn1 ZINC000548542019 542696914 /nfs/dbraw/zinc/69/69/14/542696914.db2.gz JIGGLQSEJLMSKO-LLVKDONJSA-N -2 3 361.782 1.187 20 0 FDADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])c1 ZINC000548549455 542699474 /nfs/dbraw/zinc/69/94/74/542699474.db2.gz OZDWAPHCADZVQU-CYBMUJFWSA-N -2 3 352.387 1.751 20 0 FDADHL C[C@](CO)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)CC(=O)[O-] ZINC000548684651 542752659 /nfs/dbraw/zinc/75/26/59/542752659.db2.gz KJLCXWJMMADRBV-OAHLLOKOSA-N -2 3 370.452 1.562 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(F)c1 ZINC000549990031 542984325 /nfs/dbraw/zinc/98/43/25/542984325.db2.gz KZYJWLILMQCLPY-KOLCDFICSA-N -2 3 354.400 1.366 20 0 FDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000551244377 543257894 /nfs/dbraw/zinc/25/78/94/543257894.db2.gz BSYMGQZNGOETPS-AWEZNQCLSA-N -2 3 369.418 1.967 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000551936647 543381417 /nfs/dbraw/zinc/38/14/17/543381417.db2.gz WXQQTCODXPOYTI-INIZCTEOSA-N -2 3 360.395 1.245 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000097514134 172329487 /nfs/dbraw/zinc/32/94/87/172329487.db2.gz FHKZUJFQCHBXNI-SNVBAGLBSA-N -2 3 372.624 1.216 20 0 FDADHL O=C([O-])Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000554320296 543781244 /nfs/dbraw/zinc/78/12/44/543781244.db2.gz OLSACBIARCDTDB-UHFFFAOYSA-N -2 3 367.361 1.758 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)s1 ZINC000554538286 543819746 /nfs/dbraw/zinc/81/97/46/543819746.db2.gz ZWUOKGFDBLJCOC-UHFFFAOYSA-N -2 3 361.441 1.847 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c1 ZINC000554665406 543847792 /nfs/dbraw/zinc/84/77/92/543847792.db2.gz HBYHCMHRHDFVMF-OTYXRUKQSA-N -2 3 373.402 1.780 20 0 FDADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)C(C)(C)C(=O)[O-])cc(C3CC3)nc21 ZINC000555136101 543917454 /nfs/dbraw/zinc/91/74/54/543917454.db2.gz CBVUGXBUCIXNEO-UHFFFAOYSA-N -2 3 374.397 1.330 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000557083473 544242080 /nfs/dbraw/zinc/24/20/80/544242080.db2.gz MJZMHGUPCFEOHL-IUCAKERBSA-N -2 3 369.365 1.712 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000558472995 544442923 /nfs/dbraw/zinc/44/29/23/544442923.db2.gz HVJCGVLCXTUGQF-ZETCQYMHSA-N -2 3 361.269 1.102 20 0 FDADHL O=C(c1cncc([O-])c1)N(C1CC1)[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000375073336 261262737 /nfs/dbraw/zinc/26/27/37/261262737.db2.gz DOYRGRDFQBRKMM-HNNXBMFYSA-N -2 3 368.393 1.407 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ncccc3N3CCCC3)ccc21 ZINC000375072406 261263253 /nfs/dbraw/zinc/26/32/53/261263253.db2.gz VLKAJGPBJDTGKA-UHFFFAOYSA-N -2 3 372.406 1.366 20 0 FDADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)C(=O)[O-] ZINC000035085659 519598880 /nfs/dbraw/zinc/59/88/80/519598880.db2.gz BSTZXNXVCDNEMB-SECBINFHSA-N -2 3 366.233 1.989 20 0 FDADHL NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000044668039 521982057 /nfs/dbraw/zinc/98/20/57/521982057.db2.gz JNEHKYKTLWWBRK-UHFFFAOYSA-N -2 3 350.352 1.050 20 0 FDADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1 ZINC000047293201 522490528 /nfs/dbraw/zinc/49/05/28/522490528.db2.gz KALWNIKELWSWPP-UHFFFAOYSA-N -2 3 350.784 1.954 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000047906642 522618737 /nfs/dbraw/zinc/61/87/37/522618737.db2.gz QDEXDCLZJBRNAC-UHFFFAOYSA-N -2 3 367.379 1.968 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)cc1C(=O)[O-] ZINC000068076962 523682904 /nfs/dbraw/zinc/68/29/04/523682904.db2.gz YNDTYIALUGFYSP-UHFFFAOYSA-N -3 3 358.416 1.529 20 0 FDADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068216340 523733040 /nfs/dbraw/zinc/73/30/40/523733040.db2.gz ONVCYIBDTQGGAE-UHFFFAOYSA-N -2 3 373.390 1.354 20 0 FDADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cccc(Cl)c1[O-] ZINC000172355833 524209060 /nfs/dbraw/zinc/20/90/60/524209060.db2.gz HDEGIHYMZVOISF-UHFFFAOYSA-N -2 3 374.578 1.297 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161804183 525171221 /nfs/dbraw/zinc/17/12/21/525171221.db2.gz PSTVDYWXIHJWPN-SECBINFHSA-N -2 3 370.196 1.356 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@H](C)C(=O)[O-] ZINC000161832596 525176956 /nfs/dbraw/zinc/17/69/56/525176956.db2.gz VLVVHNLNZXXRRG-BQBZGAKWSA-N -2 3 354.197 1.976 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000106007595 525543653 /nfs/dbraw/zinc/54/36/53/525543653.db2.gz WMOVZHBNVBEJPK-JTQLQIEISA-N -2 3 357.395 1.991 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000106007595 525543661 /nfs/dbraw/zinc/54/36/61/525543661.db2.gz WMOVZHBNVBEJPK-JTQLQIEISA-N -2 3 357.395 1.991 20 0 FDADHL Cc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000155275673 525805330 /nfs/dbraw/zinc/80/53/30/525805330.db2.gz GWMSLGXUABIWDH-UHFFFAOYSA-N -2 3 373.457 1.526 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1 ZINC000132711698 525988420 /nfs/dbraw/zinc/98/84/20/525988420.db2.gz ZNYXKYSFMIMECK-LLVKDONJSA-N -2 3 371.376 1.558 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC000132711698 525988427 /nfs/dbraw/zinc/98/84/27/525988427.db2.gz ZNYXKYSFMIMECK-LLVKDONJSA-N -2 3 371.376 1.558 20 0 FDADHL CC(C)(C)CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000263145862 536982050 /nfs/dbraw/zinc/98/20/50/536982050.db2.gz NCRAWJZHZJBKTC-JTQLQIEISA-N -2 3 362.473 1.422 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000263151514 536983927 /nfs/dbraw/zinc/98/39/27/536983927.db2.gz XKVZRYDUUUMQRN-OUAUKWLOSA-N -2 3 360.457 1.127 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263287819 537009798 /nfs/dbraw/zinc/00/97/98/537009798.db2.gz YGMZOUUTDLWZTQ-GARJFASQSA-N -2 3 360.457 1.127 20 0 FDADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000263339818 537019269 /nfs/dbraw/zinc/01/92/69/537019269.db2.gz RPPVJVJKRYPXJG-MFKMUULPSA-N -2 3 356.444 1.777 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000263466909 537035437 /nfs/dbraw/zinc/03/54/37/537035437.db2.gz GKNNNUNOYNVIRE-SNVBAGLBSA-N -2 3 372.624 1.216 20 0 FDADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000276186053 537325366 /nfs/dbraw/zinc/32/53/66/537325366.db2.gz GDMQSALEQGIJSL-SECBINFHSA-N -2 3 364.445 1.178 20 0 FDADHL Cc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000293783909 537588501 /nfs/dbraw/zinc/58/85/01/537588501.db2.gz WITFLUDBLCDBMO-NSHDSACASA-N -2 3 371.441 1.691 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C)C1 ZINC000323084960 537614889 /nfs/dbraw/zinc/61/48/89/537614889.db2.gz QSJLDKRTSQEAOY-WPRPVWTQSA-N -2 3 363.819 1.893 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1OC 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/nfs/dbraw/zinc/90/83/71/557908371.db2.gz VPONIIQELXJILX-RCOVLWMOSA-N -2 3 370.246 1.421 20 0 FDADHL Cc1cn2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2n1 ZINC000737446848 598823354 /nfs/dbraw/zinc/82/33/54/598823354.db2.gz WJODPMLYOYIWBY-UHFFFAOYSA-N -2 3 356.371 1.019 20 0 FDADHL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735704089 598857100 /nfs/dbraw/zinc/85/71/00/598857100.db2.gz ZQLVCYLHUUUCAA-MRVPVSSYSA-N -2 3 357.823 1.617 20 0 FDADHL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735704089 598857102 /nfs/dbraw/zinc/85/71/02/598857102.db2.gz ZQLVCYLHUUUCAA-MRVPVSSYSA-N -2 3 357.823 1.617 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C(N)=O ZINC000737225250 598948968 /nfs/dbraw/zinc/94/89/68/598948968.db2.gz LRRSUGRLGIEDIW-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C(N)=O ZINC000737225250 598948969 /nfs/dbraw/zinc/94/89/69/598948969.db2.gz LRRSUGRLGIEDIW-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000737299562 598975391 /nfs/dbraw/zinc/97/53/91/598975391.db2.gz RUZVIJQVJFMMCJ-NTMALXAHSA-N -2 3 369.406 1.693 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1 ZINC000737299562 598975393 /nfs/dbraw/zinc/97/53/93/598975393.db2.gz RUZVIJQVJFMMCJ-NTMALXAHSA-N -2 3 369.406 1.693 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)n1C ZINC000737299537 598978315 /nfs/dbraw/zinc/97/83/15/598978315.db2.gz RONPCNGVEWGKPZ-UHFFFAOYSA-N -2 3 374.426 1.249 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)n1C ZINC000737299537 598978317 /nfs/dbraw/zinc/97/83/17/598978317.db2.gz RONPCNGVEWGKPZ-UHFFFAOYSA-N -2 3 374.426 1.249 20 0 FDADHL CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000769529672 597025117 /nfs/dbraw/zinc/02/51/17/597025117.db2.gz LITPOMIVZCTIAE-ZDUSSCGKSA-N -2 3 358.391 1.105 20 0 FDADHL CN(CC(=O)[O-])C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000820562513 597641640 /nfs/dbraw/zinc/64/16/40/597641640.db2.gz KIARQEHUIVVQIS-MRXNPFEDSA-N -2 3 356.378 1.796 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737795375 599284096 /nfs/dbraw/zinc/28/40/96/599284096.db2.gz JVNBAYICDQJCGR-MDZDMXLPSA-N -2 3 361.427 1.808 20 0 FDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737795375 599284097 /nfs/dbraw/zinc/28/40/97/599284097.db2.gz JVNBAYICDQJCGR-MDZDMXLPSA-N -2 3 361.427 1.808 20 0 FDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737159853 598374435 /nfs/dbraw/zinc/37/44/35/598374435.db2.gz QSMGRWMMWWHOCQ-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737159853 598374437 /nfs/dbraw/zinc/37/44/37/598374437.db2.gz QSMGRWMMWWHOCQ-UHFFFAOYSA-N -2 3 365.396 1.056 20 0 FDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737343698 598431725 /nfs/dbraw/zinc/43/17/25/598431725.db2.gz TVIDCUPNKQROBQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737343698 598431727 /nfs/dbraw/zinc/43/17/27/598431727.db2.gz TVIDCUPNKQROBQ-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL COc1ccccc1S([O-])=CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737156263 598492735 /nfs/dbraw/zinc/49/27/35/598492735.db2.gz RNGAZTWLQIJDPL-SANMLTNESA-N -2 3 371.422 1.299 20 0 FDADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737185655 598588170 /nfs/dbraw/zinc/58/81/70/598588170.db2.gz APOYVMVHUJVDJN-UHFFFAOYSA-N -2 3 362.440 1.926 20 0 FDADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737185655 598588172 /nfs/dbraw/zinc/58/81/72/598588172.db2.gz APOYVMVHUJVDJN-UHFFFAOYSA-N -2 3 362.440 1.926 20 0 FDADHL O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136626 598597297 /nfs/dbraw/zinc/59/72/97/598597297.db2.gz HOSCWYPQZMDJTI-LSDHHAIUSA-N -2 3 358.402 1.410 20 0 FDADHL O=S(=O)([N-]c1ccc(F)cn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738342190 598608056 /nfs/dbraw/zinc/60/80/56/598608056.db2.gz OKARWFOLDYFFRO-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccc(F)cn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738342190 598608058 /nfs/dbraw/zinc/60/80/58/598608058.db2.gz OKARWFOLDYFFRO-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735819765 598739498 /nfs/dbraw/zinc/73/94/98/598739498.db2.gz KSVONLFECBDNGH-NSHDSACASA-N -2 3 367.431 1.126 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736181798 598801313 /nfs/dbraw/zinc/80/13/13/598801313.db2.gz AUKMIDTTXKNXJS-SNVBAGLBSA-N -2 3 367.431 1.126 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736181798 598801314 /nfs/dbraw/zinc/80/13/14/598801314.db2.gz AUKMIDTTXKNXJS-SNVBAGLBSA-N -2 3 367.431 1.126 20 0 FDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000819789382 599689429 /nfs/dbraw/zinc/68/94/29/599689429.db2.gz MYADEIXPVICGRA-UHFFFAOYSA-N -2 3 373.398 1.045 20 0 FDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000819789382 599689430 /nfs/dbraw/zinc/68/94/30/599689430.db2.gz MYADEIXPVICGRA-UHFFFAOYSA-N -2 3 373.398 1.045 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)o1 ZINC000324069153 599765344 /nfs/dbraw/zinc/76/53/44/599765344.db2.gz XUFBCORRGFISKJ-UHFFFAOYSA-N -2 3 353.352 1.270 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCc3ccccc32)o1 ZINC000740176901 599772514 /nfs/dbraw/zinc/77/25/14/599772514.db2.gz YEVNZAZVLKLLJV-UHFFFAOYSA-N -2 3 350.396 1.709 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)o1 ZINC000740177663 599776229 /nfs/dbraw/zinc/77/62/29/599776229.db2.gz QUUMSQPGZBFTEV-UHFFFAOYSA-N -2 3 355.353 1.568 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3F)C2)o1 ZINC000740175771 599779842 /nfs/dbraw/zinc/77/98/42/599779842.db2.gz YLBVVCJFNGAVDE-JTQLQIEISA-N -2 3 372.349 1.813 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826292948 607398196 /nfs/dbraw/zinc/39/81/96/607398196.db2.gz UKWZMZXVZSZZEX-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826292948 607398197 /nfs/dbraw/zinc/39/81/97/607398197.db2.gz UKWZMZXVZSZZEX-UHFFFAOYSA-N -2 3 357.395 1.602 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000738569094 600170429 /nfs/dbraw/zinc/17/04/29/600170429.db2.gz CMSPKOAPDOOMAS-GFCCVEGCSA-N -2 3 371.846 1.837 20 0 FDADHL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000740001914 600303370 /nfs/dbraw/zinc/30/33/70/600303370.db2.gz UBNWKIIVFGAMDA-UHFFFAOYSA-N -3 3 350.352 1.953 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738838051 600496769 /nfs/dbraw/zinc/49/67/69/600496769.db2.gz NCGFMYHLMOTBMQ-UHFFFAOYSA-N -2 3 368.349 1.290 20 0 FDADHL O=C([O-])COc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739823267 600510412 /nfs/dbraw/zinc/51/04/12/600510412.db2.gz IJPPWCFCRCMKTQ-UHFFFAOYSA-N -2 3 362.313 1.250 20 0 FDADHL Cc1nc(C)c(CCC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)[n-]1 ZINC000738846648 600580464 /nfs/dbraw/zinc/58/04/64/600580464.db2.gz GNJIZHDBARDIPT-AWEZNQCLSA-N -2 3 373.409 1.497 20 0 FDADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1c(F)cccc1F ZINC000737358177 600637493 /nfs/dbraw/zinc/63/74/93/600637493.db2.gz IZNPHSJNCMYMJG-LLVKDONJSA-N -2 3 374.365 1.837 20 0 FDADHL CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000736165156 600648185 /nfs/dbraw/zinc/64/81/85/600648185.db2.gz KZNFEXJQZITWEY-UHFFFAOYSA-N -2 3 358.350 1.744 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000788456059 600774829 /nfs/dbraw/zinc/77/48/29/600774829.db2.gz XMQFHXLCVMRCPG-NSHDSACASA-N -2 3 357.819 1.529 20 0 FDADHL COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000323937941 600826889 /nfs/dbraw/zinc/82/68/89/600826889.db2.gz IRADSLLUGGGVOZ-UHFFFAOYSA-N -2 3 372.786 1.964 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)cc1C(=O)[O-] ZINC000833027472 601219125 /nfs/dbraw/zinc/21/91/25/601219125.db2.gz FVAPXIWQYOGEFB-UHFFFAOYSA-N -2 3 370.349 1.591 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC000833026677 601219334 /nfs/dbraw/zinc/21/93/34/601219334.db2.gz HJKNQQUSMKUDFR-UHFFFAOYSA-N -2 3 361.379 1.950 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)cc1C(=O)[O-] ZINC000833026698 601220048 /nfs/dbraw/zinc/22/00/48/601220048.db2.gz IFFQLIRPJLLENE-UHFFFAOYSA-N -2 3 366.395 1.949 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1F ZINC000760104247 601229024 /nfs/dbraw/zinc/22/90/24/601229024.db2.gz ZGKNYXHROBFENR-UHFFFAOYSA-N -2 3 365.354 1.675 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c1F ZINC000328383956 601231007 /nfs/dbraw/zinc/23/10/07/601231007.db2.gz SIIXPJLNTNYDRS-SNVBAGLBSA-N -2 3 369.345 1.945 20 0 FDADHL CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828676876 601240439 /nfs/dbraw/zinc/24/04/39/601240439.db2.gz HELYRQGCYBLGOG-AWEZNQCLSA-N -2 3 365.354 1.673 20 0 FDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000831584008 601266206 /nfs/dbraw/zinc/26/62/06/601266206.db2.gz CBLPDISQUZUMLR-JTQLQIEISA-N -2 3 372.262 1.669 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)ccc1F ZINC000013362653 601318803 /nfs/dbraw/zinc/31/88/03/601318803.db2.gz QZMKJZBCHPIILT-UHFFFAOYSA-N -2 3 363.330 1.300 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1C ZINC000831328135 601334341 /nfs/dbraw/zinc/33/43/41/601334341.db2.gz RZYNNBMTALVETM-UHFFFAOYSA-N -2 3 365.363 1.986 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831077946 601387695 /nfs/dbraw/zinc/38/76/95/601387695.db2.gz FVJUSFAILZAJAG-GFCCVEGCSA-N -2 3 372.786 1.559 20 0 FDADHL CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829822869 601395277 /nfs/dbraw/zinc/39/52/77/601395277.db2.gz OKGFWCLITYMGGZ-CQSZACIVSA-N -2 3 355.412 1.536 20 0 FDADHL O=C([O-])CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1 ZINC000767066195 601431730 /nfs/dbraw/zinc/43/17/30/601431730.db2.gz WLSQLGDCFCNUSD-UHFFFAOYSA-N -2 3 370.402 1.394 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3C[C@H](C)[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000831478927 601533272 /nfs/dbraw/zinc/53/32/72/601533272.db2.gz GOIJJQUXZQRPGO-IONNQARKSA-N -2 3 365.411 1.232 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)oc1C ZINC000831343562 601596564 /nfs/dbraw/zinc/59/65/64/601596564.db2.gz MEDGHDWSSYEUJV-ZDUSSCGKSA-N -2 3 359.400 1.686 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000832993177 601703076 /nfs/dbraw/zinc/70/30/76/601703076.db2.gz OWSOVEKKKSQFDS-OAHLLOKOSA-N -2 3 356.382 1.052 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C(=O)[O-] ZINC000826299639 607535694 /nfs/dbraw/zinc/53/56/94/607535694.db2.gz NYCAXXNROAHGRD-UHFFFAOYSA-N -3 3 373.394 1.983 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)c1 ZINC000739784176 601986555 /nfs/dbraw/zinc/98/65/55/601986555.db2.gz LVOMYQFRORURGS-UHFFFAOYSA-N -2 3 374.390 1.281 20 0 FDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000462103583 601986826 /nfs/dbraw/zinc/98/68/26/601986826.db2.gz PTQMTKHARYXQFU-UHFFFAOYSA-N -2 3 359.367 1.090 20 0 FDADHL O=C([O-])NCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000740662213 602101036 /nfs/dbraw/zinc/10/10/36/602101036.db2.gz RAGDHZCYEKQQGP-UHFFFAOYSA-N -2 3 357.613 1.648 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Br)o1 ZINC000055312987 602139664 /nfs/dbraw/zinc/13/96/64/602139664.db2.gz DVIWXJOYYXVKGM-LURJTMIESA-N -2 3 354.178 1.198 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CCCCC3)C2)cc1C(=O)[O-] ZINC000833027051 602229614 /nfs/dbraw/zinc/22/96/14/602229614.db2.gz ASIANJRJJMWITJ-LLVKDONJSA-N -2 3 370.427 1.498 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c([O-])c1 ZINC000740108579 602258260 /nfs/dbraw/zinc/25/82/60/602258260.db2.gz WZXUXYUCKCSDTB-CYBMUJFWSA-N -2 3 363.414 1.421 20 0 FDADHL C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000827790241 602386450 /nfs/dbraw/zinc/38/64/50/602386450.db2.gz OYADXFROGAHVPP-YPMHNXCESA-N -2 3 353.396 1.811 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCCN(C(=O)[O-])C2)c1 ZINC000739785811 602865891 /nfs/dbraw/zinc/86/58/91/602865891.db2.gz XCMAHGJIAPMADW-LLVKDONJSA-N -2 3 374.390 1.423 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(CNC(=O)[O-])CCCC2)oc1C ZINC000828761183 603492218 /nfs/dbraw/zinc/49/22/18/603492218.db2.gz PERQXJOGUZULAC-UHFFFAOYSA-N -2 3 360.388 1.233 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c(C)o1 ZINC000828579695 603515461 /nfs/dbraw/zinc/51/54/61/603515461.db2.gz PDHFRNFGOBBMNI-UHFFFAOYSA-N -2 3 370.387 1.583 20 0 FDADHL C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824657413 604344616 /nfs/dbraw/zinc/34/46/16/604344616.db2.gz XVYTUSXHIUAMDQ-IUODEOHRSA-N -2 3 372.429 1.899 20 0 FDADHL C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824657413 604344619 /nfs/dbraw/zinc/34/46/19/604344619.db2.gz XVYTUSXHIUAMDQ-IUODEOHRSA-N -2 3 372.429 1.899 20 0 FDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000230953459 604704429 /nfs/dbraw/zinc/70/44/29/604704429.db2.gz QZWJIVCIZDHGQX-NKWVEPMBSA-N -2 3 368.205 1.586 20 0 FDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)cc2)n1 ZINC000829893231 604755551 /nfs/dbraw/zinc/75/55/51/604755551.db2.gz DFSKXMUHKDSYNG-ZDUSSCGKSA-N -2 3 358.354 1.063 20 0 FDADHL C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824654706 604851645 /nfs/dbraw/zinc/85/16/45/604851645.db2.gz GZUMRYORZKFKRC-LBPRGKRZSA-N -2 3 372.429 1.899 20 0 FDADHL C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824654706 604851649 /nfs/dbraw/zinc/85/16/49/604851649.db2.gz GZUMRYORZKFKRC-LBPRGKRZSA-N -2 3 372.429 1.899 20 0 FDADHL C[C@H](Sc1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1)C(=O)[O-] ZINC000833545594 605009919 /nfs/dbraw/zinc/00/99/19/605009919.db2.gz KJSFBRSISHANQR-JTQLQIEISA-N -2 3 359.407 1.946 20 0 FDADHL C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000397812619 605038209 /nfs/dbraw/zinc/03/82/09/605038209.db2.gz DJUDMIWOPDIBDP-BQBZGAKWSA-N -2 3 370.221 1.426 20 0 FDADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC000833762492 605043734 /nfs/dbraw/zinc/04/37/34/605043734.db2.gz MZWNIPTYVDWDFM-UHFFFAOYSA-N -2 3 358.759 1.209 20 0 FDADHL C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833635652 605198359 /nfs/dbraw/zinc/19/83/59/605198359.db2.gz YSUCLQDHPCTSFF-LLVKDONJSA-N -2 3 350.396 1.707 20 0 FDADHL C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833534466 605276472 /nfs/dbraw/zinc/27/64/72/605276472.db2.gz BUGRQTHZBKZUFI-VIFPVBQESA-N -2 3 355.774 1.914 20 0 FDADHL CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCO1 ZINC000833643099 605300671 /nfs/dbraw/zinc/30/06/71/605300671.db2.gz XTRXKUSOJDCSJA-VXGBXAGGSA-N -2 3 359.448 1.678 20 0 FDADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833427800 605303351 /nfs/dbraw/zinc/30/33/51/605303351.db2.gz WNLFKOPJFXDTNR-LBPRGKRZSA-N -2 3 358.416 1.784 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]CC2(C)CCN(C(=O)[O-])CC2)nc1Cl ZINC000833949751 605415534 /nfs/dbraw/zinc/41/55/34/605415534.db2.gz AOZOFJRYYJNGPR-UHFFFAOYSA-N -2 3 350.828 1.132 20 0 FDADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000834077720 605425980 /nfs/dbraw/zinc/42/59/80/605425980.db2.gz JIXWEWOZQBRTPY-MRVPVSSYSA-N -2 3 364.221 1.122 20 0 FDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000823759927 605551550 /nfs/dbraw/zinc/55/15/50/605551550.db2.gz LZNRLZZVTKYAEF-GFCCVEGCSA-N -2 3 358.416 1.784 20 0 FDADHL O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000831714378 605881435 /nfs/dbraw/zinc/88/14/35/605881435.db2.gz CWDTXVDOWHPVEF-SNVBAGLBSA-N -2 3 359.176 1.150 20 0 FDADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822194217 606162979 /nfs/dbraw/zinc/16/29/79/606162979.db2.gz NQUNIAKARKEVNW-UHFFFAOYSA-N -3 3 374.382 1.378 20 0 FDADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822194217 606162981 /nfs/dbraw/zinc/16/29/81/606162981.db2.gz NQUNIAKARKEVNW-UHFFFAOYSA-N -3 3 374.382 1.378 20 0 FDADHL O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822950519 606179385 /nfs/dbraw/zinc/17/93/85/606179385.db2.gz RHSZKRDYVPVJIO-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822950519 606179386 /nfs/dbraw/zinc/17/93/86/606179386.db2.gz RHSZKRDYVPVJIO-UHFFFAOYSA-N -2 3 369.834 1.905 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000823387333 606337041 /nfs/dbraw/zinc/33/70/41/606337041.db2.gz IOGWRVXHKGZVPB-UHFFFAOYSA-N -2 3 367.431 1.321 20 0 FDADHL O=C([O-])CCCCCCNS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000823387333 606337043 /nfs/dbraw/zinc/33/70/43/606337043.db2.gz IOGWRVXHKGZVPB-UHFFFAOYSA-N -2 3 367.431 1.321 20 0 FDADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1c(F)cccc1F ZINC000823583593 606337983 /nfs/dbraw/zinc/33/79/83/606337983.db2.gz VOUCHVDLKVQNHS-UHFFFAOYSA-N -2 3 353.310 1.651 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285214 606409787 /nfs/dbraw/zinc/40/97/87/606409787.db2.gz OIIXLWWEPUWUIA-GHMZBOCLSA-N -2 3 367.818 1.371 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823285214 606409789 /nfs/dbraw/zinc/40/97/89/606409789.db2.gz OIIXLWWEPUWUIA-GHMZBOCLSA-N -2 3 367.818 1.371 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000822515111 606469379 /nfs/dbraw/zinc/46/93/79/606469379.db2.gz JYDBQFKEXWUPEB-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000822515111 606469381 /nfs/dbraw/zinc/46/93/81/606469381.db2.gz JYDBQFKEXWUPEB-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820675166 606626654 /nfs/dbraw/zinc/62/66/54/606626654.db2.gz ICKXBSZXUHDHQW-UTEVDWOZSA-N -2 3 361.427 1.559 20 0 FDADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820675166 606626655 /nfs/dbraw/zinc/62/66/55/606626655.db2.gz ICKXBSZXUHDHQW-UTEVDWOZSA-N -2 3 361.427 1.559 20 0 FDADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589259 606713213 /nfs/dbraw/zinc/71/32/13/606713213.db2.gz VXGWJRXNEPVWIC-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589259 606713214 /nfs/dbraw/zinc/71/32/14/606713214.db2.gz VXGWJRXNEPVWIC-UHFFFAOYSA-N -2 3 353.367 1.611 20 0 FDADHL O=S(=O)([N-]c1cc(-c2cccnc2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583550 606751551 /nfs/dbraw/zinc/75/15/51/606751551.db2.gz TWAPSXNCSAKAHO-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1F ZINC000822203119 606822214 /nfs/dbraw/zinc/82/22/14/606822214.db2.gz FRKFZJZJPUVJOO-UHFFFAOYSA-N -2 3 358.355 1.711 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000822146372 606840011 /nfs/dbraw/zinc/84/00/11/606840011.db2.gz XTUXRNMREUGXKT-UHFFFAOYSA-N -2 3 373.394 1.657 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000822146372 606840012 /nfs/dbraw/zinc/84/00/12/606840012.db2.gz XTUXRNMREUGXKT-UHFFFAOYSA-N -2 3 373.394 1.657 20 0 FDADHL O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572211 606876665 /nfs/dbraw/zinc/87/66/65/606876665.db2.gz DVDFRWURKOMZPA-ZETCQYMHSA-N -2 3 365.312 1.611 20 0 FDADHL O=C([O-])Cc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387387 607109741 /nfs/dbraw/zinc/10/97/41/607109741.db2.gz JFEQWGUQVRAVQG-UHFFFAOYSA-N -2 3 353.338 1.511 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)n1 ZINC000821839732 607111528 /nfs/dbraw/zinc/11/15/28/607111528.db2.gz XMDHWNBJWZPQRU-UHFFFAOYSA-N -2 3 364.362 1.519 20 0 FDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000821839732 607111530 /nfs/dbraw/zinc/11/15/30/607111530.db2.gz XMDHWNBJWZPQRU-UHFFFAOYSA-N -2 3 364.362 1.519 20 0 FDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821469360 607156293 /nfs/dbraw/zinc/15/62/93/607156293.db2.gz DFVKBUZZUKARFV-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821469360 607156296 /nfs/dbraw/zinc/15/62/96/607156296.db2.gz DFVKBUZZUKARFV-UHFFFAOYSA-N -2 3 361.383 1.449 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)oc1C ZINC000822177080 607156871 /nfs/dbraw/zinc/15/68/71/607156871.db2.gz SYBJEXKPSRLKTG-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)oc1C ZINC000822177080 607156872 /nfs/dbraw/zinc/15/68/72/607156872.db2.gz SYBJEXKPSRLKTG-UHFFFAOYSA-N -2 3 361.383 1.336 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450675 607777651 /nfs/dbraw/zinc/77/76/51/607777651.db2.gz YEUFJFVTHBKQEI-UHFFFAOYSA-N -2 3 370.753 1.106 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450675 607777652 /nfs/dbraw/zinc/77/76/52/607777652.db2.gz YEUFJFVTHBKQEI-UHFFFAOYSA-N -2 3 370.753 1.106 20 0 FDADHL O=S(=O)([N-]CCC1=CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491194 607812074 /nfs/dbraw/zinc/81/20/74/607812074.db2.gz XQNVPZXEPVQJQQ-UHFFFAOYSA-N -2 3 355.370 1.924 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000824385430 607984989 /nfs/dbraw/zinc/98/49/89/607984989.db2.gz SUUFYJXZFBUTGR-LLVKDONJSA-N -2 3 372.410 1.260 20 0 FDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000824385430 607984990 /nfs/dbraw/zinc/98/49/90/607984990.db2.gz SUUFYJXZFBUTGR-LLVKDONJSA-N -2 3 372.410 1.260 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826334340 608107741 /nfs/dbraw/zinc/10/77/41/608107741.db2.gz QUANXUQQLJRRFI-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826226165 608331724 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COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000775670543 971224022 /nfs/dbraw/zinc/22/40/22/971224022.db2.gz LMIMARWJKXZJJF-UHFFFAOYSA-N -2 3 366.395 1.787 20 0 FDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000824732048 946918888 /nfs/dbraw/zinc/91/88/88/946918888.db2.gz ZOVGGRUUCMEXDN-YPMHNXCESA-N -2 3 359.386 1.490 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CO1 ZINC000844895514 948481951 /nfs/dbraw/zinc/48/19/51/948481951.db2.gz OGYGRGKEYDQMPX-RITPCOANSA-N -2 3 370.246 1.665 20 0 FDADHL C[C@@](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)(C(=O)[O-])c1ccccc1 ZINC000846124589 950528902 /nfs/dbraw/zinc/52/89/02/950528902.db2.gz KAHLOAPJDHARTK-AWEZNQCLSA-N -2 3 371.319 1.665 20 0 FDADHL O=C([O-])Cn1cccc(C(=O)Nc2nc(-c3ccccc3F)n[n-]2)c1=O ZINC001595158386 952179771 /nfs/dbraw/zinc/17/97/71/952179771.db2.gz KSQXQVSQHCCUHQ-UHFFFAOYSA-N -2 3 357.301 1.109 20 0 FDADHL C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575163527 952280069 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20 0 FDADHL CCOC(=O)c1nc(NC(=O)c2nc(Br)ccc2[O-])c[n-]1 ZINC001191737870 968749177 /nfs/dbraw/zinc/74/91/77/968749177.db2.gz VVMUEYZMNOXVER-UHFFFAOYSA-N -2 3 355.148 1.702 20 0 FDADHL O=C(Nc1nnco1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193254263 969581015 /nfs/dbraw/zinc/58/10/15/969581015.db2.gz FPPYRNZNNJPBSK-UHFFFAOYSA-N -2 3 360.351 1.828 20 0 FDADHL COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283844 969611949 /nfs/dbraw/zinc/61/19/49/969611949.db2.gz LRLGZZPPXSJPLG-UHFFFAOYSA-N -2 3 364.379 1.096 20 0 FDADHL COc1ccc([N-]S(=O)(=O)C2CCC(=O)CC2)c(S(=O)(=O)[O-])c1 ZINC001194804158 970428650 /nfs/dbraw/zinc/42/86/50/970428650.db2.gz PIEJOYOIZJDLCU-UHFFFAOYSA-N -2 3 363.413 1.195 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCN(CCOc3ccccc3C(=O)[O-])CC2)n1 ZINC001600064999 970754372 /nfs/dbraw/zinc/75/43/72/970754372.db2.gz MFYQOVKBGOHHDP-UHFFFAOYSA-N -2 3 358.398 1.390 20 0 FDADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3coc(C=CC(=O)[O-])c3)CC2)n1 ZINC001605092896 972746146 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FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(CC)C(=O)[O-])c1 ZINC000794762565 973829118 /nfs/dbraw/zinc/82/91/18/973829118.db2.gz UHYVHLTUYUDGDH-OAHLLOKOSA-N -2 3 361.391 1.782 20 0 FDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(F)(F)F ZINC000794767713 973833719 /nfs/dbraw/zinc/83/37/19/973833719.db2.gz PMMINQVLUJCPTD-ZCFIWIBFSA-N -2 3 353.278 1.154 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000849218597 977366336 /nfs/dbraw/zinc/36/63/36/977366336.db2.gz CRUIMHWZGDEGRN-CABZTGNLSA-N -2 3 371.846 1.917 20 0 FDADHL C[C@](CCF)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001592508056 978332337 /nfs/dbraw/zinc/33/23/37/978332337.db2.gz RKZXCACDXGIJOP-GTJPDFRWSA-N -2 3 352.409 1.181 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001592521334 978374117 /nfs/dbraw/zinc/37/41/17/978374117.db2.gz UXSLJVAMWFREFY-LURJTMIESA-N -3 3 353.755 1.566 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])cc1F 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369.420 1.754 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c(F)cc1F ZINC000548529369 542691427 /nfs/dbraw/zinc/69/14/27/542691427.db2.gz GMGRLKPHDWRGBG-LLVKDONJSA-N -2 3 370.377 1.890 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1CCOC1 ZINC000548531252 542692139 /nfs/dbraw/zinc/69/21/39/542692139.db2.gz UNNNXBFSTQXUEZ-IMTBSYHQSA-N -2 3 370.246 1.279 20 0 FDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC000548531576 542692646 /nfs/dbraw/zinc/69/26/46/542692646.db2.gz UVVCTCWAJLVUNK-SKDRFNHKSA-N -2 3 363.819 1.507 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Br)c[nH]1 ZINC000548538780 542695487 /nfs/dbraw/zinc/69/54/87/542695487.db2.gz LXTVZKFZLRPNLC-LLVKDONJSA-N -2 3 374.216 1.585 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000548551516 542700366 /nfs/dbraw/zinc/70/03/66/542700366.db2.gz LASBIASTRDRXQZ-YGRLFVJLSA-N -2 3 361.441 1.847 20 0 FDADHL 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/nfs/dbraw/zinc/64/47/36/524644736.db2.gz SMDXZGLEZJTXKZ-UHFFFAOYSA-N -2 3 359.411 1.990 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000122929441 524644745 /nfs/dbraw/zinc/64/47/45/524644745.db2.gz SMDXZGLEZJTXKZ-UHFFFAOYSA-N -2 3 359.411 1.990 20 0 FDADHL COC(=O)CCS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000166576482 525585614 /nfs/dbraw/zinc/58/56/14/525585614.db2.gz TUNMTYNYNYUEGD-UHFFFAOYSA-N -2 3 366.189 1.452 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)co1 ZINC000182697748 535848150 /nfs/dbraw/zinc/84/81/50/535848150.db2.gz XXJOALSCZLSKOV-UHFFFAOYSA-N -2 3 353.404 1.537 20 0 FDADHL COc1cc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)ccc1C(=O)[O-] ZINC000262874769 536926829 /nfs/dbraw/zinc/92/68/29/536926829.db2.gz GLAGKQMIRORXGO-LBPRGKRZSA-N -2 3 358.416 1.296 20 0 FDADHL C[C@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC000263074590 536970557 /nfs/dbraw/zinc/97/05/57/536970557.db2.gz RQEQTNYELVOABP-TVQRCGJNSA-N -2 3 358.391 1.523 20 0 FDADHL CN(CC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000263102797 536974945 /nfs/dbraw/zinc/97/49/45/536974945.db2.gz ONQUYPAPYLCLBH-UHFFFAOYSA-N -2 3 369.226 1.205 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000263188451 536989177 /nfs/dbraw/zinc/98/91/77/536989177.db2.gz MFWGHPXEYWSVRT-ZDUSSCGKSA-N -2 3 351.428 1.518 20 0 FDADHL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000263552806 537044188 /nfs/dbraw/zinc/04/41/88/537044188.db2.gz MDTQOHXNQFBGNH-CABCVRRESA-N -2 3 360.410 1.470 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000263578786 537046904 /nfs/dbraw/zinc/04/69/04/537046904.db2.gz TUAKCDTVKKTPBF-INIZCTEOSA-N -2 3 370.405 1.633 20 0 FDADHL CCOC[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000290885002 537449218 /nfs/dbraw/zinc/44/92/18/537449218.db2.gz CHOIKUOSDVRKAU-LLVKDONJSA-N -2 3 356.227 1.903 20 0 FDADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290904807 537460806 /nfs/dbraw/zinc/46/08/06/537460806.db2.gz FLWZONHKVTVYIO-SSDOTTSWSA-N -2 3 369.346 1.464 20 0 FDADHL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@H]23)c1 ZINC000273758768 537497411 /nfs/dbraw/zinc/49/74/11/537497411.db2.gz WDGCADQEGDCGBN-NWDGAFQWSA-N -2 3 360.382 1.568 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000232293051 537587671 /nfs/dbraw/zinc/58/76/71/537587671.db2.gz FRJDSUXINVVXBV-RNFRBKRXSA-N -2 3 354.197 1.976 20 0 FDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000320633824 537613823 /nfs/dbraw/zinc/61/38/23/537613823.db2.gz GRGPBKOIRRWDRK-LLVKDONJSA-N -2 3 355.393 1.639 20 0 FDADHL C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)[C@H](C)C(=O)[O-] ZINC000294460729 537699644 /nfs/dbraw/zinc/69/96/44/537699644.db2.gz AEODPAJWJDRZML-UWVGGRQHSA-N -2 3 374.434 1.742 20 0 FDADHL Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)C)[nH][n-]2)c1 ZINC000416253122 537780031 /nfs/dbraw/zinc/78/00/31/537780031.db2.gz QMHJCTCGIGEVLD-OAHLLOKOSA-N -2 3 368.434 2.037 20 0 FDADHL CCO[N-]C(=O)C[C@@]1(C(=O)[N-]OCC)CCN(C(=O)OC(C)(C)C)C1 ZINC000376783435 537910677 /nfs/dbraw/zinc/91/06/77/537910677.db2.gz VFDLGEFAVHVJIW-INIZCTEOSA-N -2 3 359.423 1.139 20 0 FDADHL CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nnn[n-]1 ZINC000467633141 538667251 /nfs/dbraw/zinc/66/72/51/538667251.db2.gz ANEVHPXQUPGXTK-SECBINFHSA-N -2 3 370.435 1.141 20 0 FDADHL CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1nn[n-]n1 ZINC000467633141 538667257 /nfs/dbraw/zinc/66/72/57/538667257.db2.gz ANEVHPXQUPGXTK-SECBINFHSA-N -2 3 370.435 1.141 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CC[C@H](C(=O)[O-])CC3)cn21 ZINC000561093506 545682531 /nfs/dbraw/zinc/68/25/31/545682531.db2.gz GHVXESYJEJUNQK-JHJVBQTASA-N -2 3 355.460 1.950 20 0 FDADHL O=C([O-])[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000562273460 546073915 /nfs/dbraw/zinc/07/39/15/546073915.db2.gz BLHWJNNSNVAQSU-SNVBAGLBSA-N -2 3 374.216 1.146 20 0 FDADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)cc1Cl ZINC000562581517 546185306 /nfs/dbraw/zinc/18/53/06/546185306.db2.gz PNPUGXOVIUCSJY-ZETCQYMHSA-N -2 3 372.226 1.770 20 0 FDADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000562797685 546272431 /nfs/dbraw/zinc/27/24/31/546272431.db2.gz JUTWDBDDIUGLSI-UHFFFAOYSA-N -2 3 371.806 1.196 20 0 FDADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000562797685 546272436 /nfs/dbraw/zinc/27/24/36/546272436.db2.gz JUTWDBDDIUGLSI-UHFFFAOYSA-N -2 3 371.806 1.196 20 0 FDADHL N=c1nc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)nc2[nH][n-]cc1-2 ZINC000563212993 546448720 /nfs/dbraw/zinc/44/87/20/546448720.db2.gz IZVRIKVADJJYQJ-UHFFFAOYSA-N -2 3 353.386 1.496 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CCCC[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC000564090507 546803824 /nfs/dbraw/zinc/80/38/24/546803824.db2.gz QDOFMCLSEOPKIJ-SECBINFHSA-N -2 3 365.411 1.519 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000564858012 547071181 /nfs/dbraw/zinc/07/11/81/547071181.db2.gz AKDNCCHCFHLPDY-SECBINFHSA-N -2 3 363.819 1.906 20 0 FDADHL CCCOc1cncc(-c2ccc(S(=O)(=O)[N-]CC(=O)[O-])s2)c1 ZINC000565236911 547268377 /nfs/dbraw/zinc/26/83/77/547268377.db2.gz OGDLZPBDNQXQIB-UHFFFAOYSA-N -2 3 356.425 1.962 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000565537482 547388704 /nfs/dbraw/zinc/38/87/04/547388704.db2.gz FPFKMLPBOPIPLF-VIFPVBQESA-N -2 3 354.409 1.686 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000565537478 547389183 /nfs/dbraw/zinc/38/91/83/547389183.db2.gz FPFKMLPBOPIPLF-SECBINFHSA-N -2 3 354.409 1.686 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c(F)c1 ZINC000566163798 547633282 /nfs/dbraw/zinc/63/32/82/547633282.db2.gz ZYRIBPUPDHLOFM-UHFFFAOYSA-N -2 3 354.400 1.368 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1C(C)C ZINC000566173298 547639952 /nfs/dbraw/zinc/63/99/52/547639952.db2.gz KFDXJSRMBMLONT-BXKDBHETSA-N -2 3 363.457 1.794 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000566177128 547642427 /nfs/dbraw/zinc/64/24/27/547642427.db2.gz PASHLZLZRSVORL-LLVKDONJSA-N -2 3 356.425 1.286 20 0 FDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000566177138 547642578 /nfs/dbraw/zinc/64/25/78/547642578.db2.gz PASHLZLZRSVORL-NSHDSACASA-N -2 3 356.425 1.286 20 0 FDADHL CC[C@@H](C)C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-] ZINC000566288567 547695957 /nfs/dbraw/zinc/69/59/57/547695957.db2.gz JTEUSBIHTOSUAU-BXUZGUMPSA-N -2 3 361.398 1.498 20 0 FDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000566300804 547701936 /nfs/dbraw/zinc/70/19/36/547701936.db2.gz OPZWHTYEZIRLRP-ZDUSSCGKSA-N -2 3 358.391 1.562 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000568001945 548355902 /nfs/dbraw/zinc/35/59/02/548355902.db2.gz MKGXTCHHGRWMPE-MRVPVSSYSA-N -2 3 357.413 1.675 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C ZINC000568261651 548464048 /nfs/dbraw/zinc/46/40/48/548464048.db2.gz IVUAEKDTMRGADS-QMMMGPOBSA-N -2 3 351.446 1.530 20 0 FDADHL CCc1cnc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC000568862245 548709508 /nfs/dbraw/zinc/70/95/08/548709508.db2.gz IRMPKASJIOWBQF-UHFFFAOYSA-N -2 3 358.416 1.950 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000569063062 548781448 /nfs/dbraw/zinc/78/14/48/548781448.db2.gz CRPIMTRGNHJPNV-ZDUSSCGKSA-N -2 3 354.453 1.982 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nc(C(=O)[O-])cs3)cn21 ZINC000570910106 549455599 /nfs/dbraw/zinc/45/55/99/549455599.db2.gz KTEUSTVWWXQYGB-QMMMGPOBSA-N -2 3 356.429 1.414 20 0 FDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000572459010 549918289 /nfs/dbraw/zinc/91/82/89/549918289.db2.gz LDFPBJJKLYFROR-SECBINFHSA-N -2 3 363.461 1.051 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000572473217 549922059 /nfs/dbraw/zinc/92/20/59/549922059.db2.gz OTBFTLOLTATCAA-QMMMGPOBSA-N -2 3 373.761 1.709 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000572905539 550021841 /nfs/dbraw/zinc/02/18/41/550021841.db2.gz VGPRTVSSXVVNSC-ZETCQYMHSA-N -2 3 372.624 1.480 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C(C)(C)C)no1 ZINC000574163672 550268863 /nfs/dbraw/zinc/26/88/63/550268863.db2.gz XHQOEIUCUGULOP-MRVPVSSYSA-N -2 3 356.404 1.443 20 0 FDADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000574500644 550324144 /nfs/dbraw/zinc/32/41/44/550324144.db2.gz BMYMNGYUPLWGGH-DOMZBBRYSA-N -2 3 372.374 1.572 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1 ZINC000574619540 550342833 /nfs/dbraw/zinc/34/28/33/550342833.db2.gz BZMLSBALTNIHCF-CYBMUJFWSA-N -2 3 361.391 1.780 20 0 FDADHL C[C@H]1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C[C@@H]1C(=O)[O-] ZINC000574756957 550365713 /nfs/dbraw/zinc/36/57/13/550365713.db2.gz KKQIFVXKTAGSRH-FZMZJTMJSA-N -2 3 359.382 1.061 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)cc1F ZINC000574772561 550368003 /nfs/dbraw/zinc/36/80/03/550368003.db2.gz TUVUUOOTCBTVTJ-ISVAXAHUSA-N -2 3 359.375 1.390 20 0 FDADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000576558685 550561993 /nfs/dbraw/zinc/56/19/93/550561993.db2.gz JRGWBZLHQLZSQV-LURJTMIESA-N -2 3 358.235 1.279 20 0 FDADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000576927604 550600610 /nfs/dbraw/zinc/60/06/10/550600610.db2.gz XOJOKFWSYWRAMD-CQSZACIVSA-N -2 3 353.334 1.388 20 0 FDADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000576927603 550600685 /nfs/dbraw/zinc/60/06/85/550600685.db2.gz XOJOKFWSYWRAMD-AWEZNQCLSA-N -2 3 353.334 1.388 20 0 FDADHL COCc1ccccc1CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000576970051 550606261 /nfs/dbraw/zinc/60/62/61/550606261.db2.gz QZRMDXXCGHDTTQ-UHFFFAOYSA-N -2 3 356.425 1.607 20 0 FDADHL COc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)ccc1F ZINC000577306489 550642893 /nfs/dbraw/zinc/64/28/93/550642893.db2.gz FIWWGMYCXLGNCP-ZETCQYMHSA-N -2 3 359.297 1.766 20 0 FDADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)C2CC2)n1 ZINC000577629256 550677543 /nfs/dbraw/zinc/67/75/43/550677543.db2.gz PLOFPFQYPJRVKZ-LBPRGKRZSA-N -2 3 353.425 1.974 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000578129898 550731284 /nfs/dbraw/zinc/73/12/84/550731284.db2.gz HORHREDLYVTFTJ-CMPLNLGQSA-N -2 3 353.375 1.862 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c1 ZINC000578390362 550758885 /nfs/dbraw/zinc/75/88/85/550758885.db2.gz SRIQSQBEBYXUBK-YGOSKHQISA-N -2 3 353.444 1.368 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1ccco1 ZINC000578646624 550786845 /nfs/dbraw/zinc/78/68/45/550786845.db2.gz CXBHUEVZNYKUQC-LBPRGKRZSA-N -2 3 355.368 1.652 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1)C1CC1 ZINC000578892282 550812860 /nfs/dbraw/zinc/81/28/60/550812860.db2.gz PETULVBXDAISIY-OAHLLOKOSA-N -2 3 355.412 1.901 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000579232986 550850324 /nfs/dbraw/zinc/85/03/24/550850324.db2.gz ODPOPFOZKPCIHA-UHFFFAOYSA-N -2 3 359.354 1.687 20 0 FDADHL COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000583022177 551292094 /nfs/dbraw/zinc/29/20/94/551292094.db2.gz XZUAHVOKYPCUCB-SECBINFHSA-N -2 3 372.424 1.596 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000583040268 551295309 /nfs/dbraw/zinc/29/53/09/551295309.db2.gz DHKGMWSVLYFNCL-ZETCQYMHSA-N -2 3 359.297 1.766 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC(=O)[O-])cc2)cn1C ZINC000583201775 551317963 /nfs/dbraw/zinc/31/79/63/551317963.db2.gz AHLNKFFDDNSXKS-SNVBAGLBSA-N -2 3 353.400 1.231 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)c1 ZINC000583497803 551361223 /nfs/dbraw/zinc/36/12/23/551361223.db2.gz IRNXIXGVUTYFDO-UHFFFAOYSA-N -2 3 353.352 1.618 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@H]1CCCO1 ZINC000583629025 551379108 /nfs/dbraw/zinc/37/91/08/551379108.db2.gz KPEFHEJPUZLQCV-GXSJLCMTSA-N -2 3 361.391 1.768 20 0 FDADHL Cc1noc(CCC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)n1 ZINC000583816265 551406195 /nfs/dbraw/zinc/40/61/95/551406195.db2.gz QZGMQAOHRSFSLV-UHFFFAOYSA-N -2 3 357.363 1.435 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(C)o1 ZINC000583971585 551428278 /nfs/dbraw/zinc/42/82/78/551428278.db2.gz AEWGHXHOBRDDPK-UHFFFAOYSA-N -2 3 358.416 1.404 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000584778229 551546771 /nfs/dbraw/zinc/54/67/71/551546771.db2.gz BNLXMSSAIHGYPT-INIZCTEOSA-N -2 3 367.427 1.580 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)c[n-]1 ZINC000585730154 551588651 /nfs/dbraw/zinc/58/86/51/551588651.db2.gz ACENWUGTUPAKLM-UHFFFAOYSA-N -2 3 367.383 1.103 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)[n-]1 ZINC000585730154 551588654 /nfs/dbraw/zinc/58/86/54/551588654.db2.gz ACENWUGTUPAKLM-UHFFFAOYSA-N -2 3 367.383 1.103 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c[n-]1 ZINC000585730880 551589315 /nfs/dbraw/zinc/58/93/15/551589315.db2.gz MHHXKFSYVWIHCI-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)[n-]1 ZINC000585730880 551589316 /nfs/dbraw/zinc/58/93/16/551589316.db2.gz MHHXKFSYVWIHCI-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])cc1F ZINC000593273277 552080327 /nfs/dbraw/zinc/08/03/27/552080327.db2.gz SXUHFRMFZCXTFI-SNVBAGLBSA-N -2 3 359.375 1.392 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000594574661 552335867 /nfs/dbraw/zinc/33/58/67/552335867.db2.gz HEMZUOJVLOVYLW-VIFPVBQESA-N -2 3 351.421 1.709 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])oc1C ZINC000600658712 553293610 /nfs/dbraw/zinc/29/36/10/553293610.db2.gz MPOHQHXKNQHNMT-CMPLNLGQSA-N -2 3 359.400 1.686 20 0 FDADHL C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824155 555122445 /nfs/dbraw/zinc/12/24/45/555122445.db2.gz CZYJWILKNYOREP-RNFRBKRXSA-N -2 3 370.818 1.996 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)cc1F ZINC000618447894 555636150 /nfs/dbraw/zinc/63/61/50/555636150.db2.gz OODMIAQVEWVBBC-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)c[n-]1 ZINC000618906773 555694057 /nfs/dbraw/zinc/69/40/57/555694057.db2.gz WSTVPXRFHONQAD-UHFFFAOYSA-N -2 3 367.383 1.315 20 0 FDADHL C[C@]1(c2cccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000621570322 556113477 /nfs/dbraw/zinc/11/34/77/556113477.db2.gz UIRCCUOPYLCAAB-SCLBCKFNSA-N -2 3 359.382 1.211 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621574320 556114226 /nfs/dbraw/zinc/11/42/26/556114226.db2.gz ONADDNIYZAUTFX-JTQLQIEISA-N -2 3 360.457 1.271 20 0 FDADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)CO1 ZINC000629296033 557755330 /nfs/dbraw/zinc/75/53/30/557755330.db2.gz UOYXASAWGUYLBX-JTQLQIEISA-N -2 3 357.384 1.465 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000629296805 557755727 /nfs/dbraw/zinc/75/57/27/557755727.db2.gz KVIMLMHBNNKXOI-LBPRGKRZSA-N -2 3 374.415 1.788 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1nc(C(=O)[O-])cs1 ZINC000629310147 557760017 /nfs/dbraw/zinc/76/00/17/557760017.db2.gz ZCJQNOQRNIAZQB-QMMMGPOBSA-N -2 3 370.408 1.652 20 0 FDADHL O=C([O-])CCCCCS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000629332864 557766554 /nfs/dbraw/zinc/76/65/54/557766554.db2.gz UXLDYWJYVKAGMC-JTQLQIEISA-N -2 3 357.354 1.551 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H]2COc3cccc(C)c3C2)oc1C(=O)[O-] ZINC000629334815 557767185 /nfs/dbraw/zinc/76/71/85/557767185.db2.gz ZLTCWISETJKYAB-LLVKDONJSA-N -2 3 351.380 1.877 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C[C@@H]3CCCOC3)C(=O)[O-])cn21 ZINC000629340335 557769452 /nfs/dbraw/zinc/76/94/52/557769452.db2.gz MHVKVNKDNOXPDA-FRRDWIJNSA-N -2 3 371.459 1.329 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000630422216 557907896 /nfs/dbraw/zinc/90/78/96/557907896.db2.gz KWCPWAKWMJXUCZ-LDYMZIIASA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000630422214 557908062 /nfs/dbraw/zinc/90/80/62/557908062.db2.gz KWCPWAKWMJXUCZ-KWQFWETISA-N -2 3 354.211 1.904 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)[C@H]1CCCO1 ZINC000630425983 557908556 /nfs/dbraw/zinc/90/85/56/557908556.db2.gz XADFZVIFTZSJHZ-NEPJUHHUSA-N -2 3 351.783 1.531 20 0 FDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735592990 599220104 /nfs/dbraw/zinc/22/01/04/599220104.db2.gz DLLPUQFXABJRBY-VOTSOKGWSA-N -2 3 369.834 1.927 20 0 FDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735592990 599220105 /nfs/dbraw/zinc/22/01/05/599220105.db2.gz DLLPUQFXABJRBY-VOTSOKGWSA-N -2 3 369.834 1.927 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000821719612 599233174 /nfs/dbraw/zinc/23/31/74/599233174.db2.gz GIGHJCJYJASNBB-UHFFFAOYSA-N -2 3 368.325 1.349 20 0 FDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000821719612 599233175 /nfs/dbraw/zinc/23/31/75/599233175.db2.gz GIGHJCJYJASNBB-UHFFFAOYSA-N -2 3 368.325 1.349 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000818985581 597022432 /nfs/dbraw/zinc/02/24/32/597022432.db2.gz VSFSGPPZRVUBHJ-HNNXBMFYSA-N -2 3 358.398 1.298 20 0 FDADHL CC(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000766906801 597034494 /nfs/dbraw/zinc/03/44/94/597034494.db2.gz VZHUMTQUKYKOSS-CYBMUJFWSA-N -2 3 372.418 1.496 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)nc1Cl ZINC000822684786 607328153 /nfs/dbraw/zinc/32/81/53/607328153.db2.gz ILBCJZRVDLDNBG-UHFFFAOYSA-N -2 3 357.758 1.194 20 0 FDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738209462 598308820 /nfs/dbraw/zinc/30/88/20/598308820.db2.gz OTRLUAZRMZVZCM-CFVMTHIKSA-N -2 3 371.397 1.490 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736230030 598314147 /nfs/dbraw/zinc/31/41/47/598314147.db2.gz QOFSTPMWWDSTPI-HNNXBMFYSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736230030 598314148 /nfs/dbraw/zinc/31/41/48/598314148.db2.gz QOFSTPMWWDSTPI-HNNXBMFYSA-N -2 3 361.365 1.844 20 0 FDADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736615219 598414503 /nfs/dbraw/zinc/41/45/03/598414503.db2.gz JLWRZSFCGDZILV-NSHDSACASA-N -2 3 373.822 1.140 20 0 FDADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736615219 598414505 /nfs/dbraw/zinc/41/45/05/598414505.db2.gz JLWRZSFCGDZILV-NSHDSACASA-N -2 3 373.822 1.140 20 0 FDADHL Cc1cccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737412399 598492668 /nfs/dbraw/zinc/49/26/68/598492668.db2.gz XWTWNSHHFILCLT-VWLOTQADSA-N -2 3 355.423 1.599 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1C(=O)[O-] ZINC000737219664 598609351 /nfs/dbraw/zinc/60/93/51/598609351.db2.gz SNWBXXHIBJTKHX-UHFFFAOYSA-N -3 3 360.355 1.069 20 0 FDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1C(=O)[O-] ZINC000737219664 598609353 /nfs/dbraw/zinc/60/93/53/598609353.db2.gz SNWBXXHIBJTKHX-UHFFFAOYSA-N -3 3 360.355 1.069 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccccc1OC(F)F ZINC000738346297 598638321 /nfs/dbraw/zinc/63/83/21/598638321.db2.gz XVHCHLQUPLKWQT-UHFFFAOYSA-N -2 3 368.325 1.664 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccccc1OC(F)F ZINC000738346297 598638323 /nfs/dbraw/zinc/63/83/23/598638323.db2.gz XVHCHLQUPLKWQT-UHFFFAOYSA-N -2 3 368.325 1.664 20 0 FDADHL CC(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735913638 598734637 /nfs/dbraw/zinc/73/46/37/598734637.db2.gz LNWWMBJMICDRDZ-UHFFFAOYSA-N -2 3 367.431 1.270 20 0 FDADHL CC(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735913638 598734639 /nfs/dbraw/zinc/73/46/39/598734639.db2.gz LNWWMBJMICDRDZ-UHFFFAOYSA-N -2 3 367.431 1.270 20 0 FDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736059093 598750336 /nfs/dbraw/zinc/75/03/36/598750336.db2.gz QALGCTDITLAPHJ-LBPRGKRZSA-N -2 3 371.422 1.550 20 0 FDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736059093 598750337 /nfs/dbraw/zinc/75/03/37/598750337.db2.gz QALGCTDITLAPHJ-LBPRGKRZSA-N -2 3 371.422 1.550 20 0 FDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822923750 599623299 /nfs/dbraw/zinc/62/32/99/599623299.db2.gz SYOHDXJZBXKPFO-UTCJRWHESA-N -2 3 353.791 1.291 20 0 FDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822923750 599623300 /nfs/dbraw/zinc/62/33/00/599623300.db2.gz SYOHDXJZBXKPFO-UTCJRWHESA-N -2 3 353.791 1.291 20 0 FDADHL COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC000738103724 599778256 /nfs/dbraw/zinc/77/82/56/599778256.db2.gz ZORSPRCREWKVLM-NSHDSACASA-N -2 3 366.395 1.544 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826292626 607398092 /nfs/dbraw/zinc/39/80/92/607398092.db2.gz DLRPWLZGDYRUPK-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826292626 607398093 /nfs/dbraw/zinc/39/80/93/607398093.db2.gz DLRPWLZGDYRUPK-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL O=C([O-])c1cccc(OCCOC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000739297955 600164601 /nfs/dbraw/zinc/16/46/01/600164601.db2.gz RJMPPGDLKYRWHH-UHFFFAOYSA-N -2 3 359.334 1.442 20 0 FDADHL O=C([O-])NCc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739986081 600510467 /nfs/dbraw/zinc/51/04/67/600510467.db2.gz MBCNJJUIPAMHKV-UHFFFAOYSA-N -2 3 361.329 1.554 20 0 FDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000327178313 600625473 /nfs/dbraw/zinc/62/54/73/600625473.db2.gz CCHVTMAPLLFNIL-UHFFFAOYSA-N -2 3 359.367 1.090 20 0 FDADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000820842049 607461205 /nfs/dbraw/zinc/46/12/05/607461205.db2.gz ITQBEIXUEAJORZ-UHFFFAOYSA-N -2 3 364.412 1.717 20 0 FDADHL COC(=O)Nc1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)cc1[O-] ZINC000831210801 600731375 /nfs/dbraw/zinc/73/13/75/600731375.db2.gz UWESXDFXRYKOLE-UHFFFAOYSA-N -2 3 365.298 1.328 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000833028871 601220596 /nfs/dbraw/zinc/22/05/96/601220596.db2.gz RIRRHUBHDDKXMS-ZJUUUORDSA-N -2 3 358.416 1.354 20 0 FDADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000833258955 601232168 /nfs/dbraw/zinc/23/21/68/601232168.db2.gz DEEQYIRRAJWICL-UHFFFAOYSA-N -2 3 374.374 1.792 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)c(C)o1 ZINC000831034290 601358225 /nfs/dbraw/zinc/35/82/25/601358225.db2.gz SEUFMZKQJXSYLP-UHFFFAOYSA-N -2 3 357.340 1.453 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]CCn2c(=O)[nH]c3ccccc32)cc1C(=O)[O-] ZINC000833027396 601401836 /nfs/dbraw/zinc/40/18/36/601401836.db2.gz SDVVLZXUNODYOF-UHFFFAOYSA-N -2 3 365.367 1.320 20 0 FDADHL CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cs1 ZINC000831499509 601523885 /nfs/dbraw/zinc/52/38/85/601523885.db2.gz GNVJWCUTFJFAQJ-QMMMGPOBSA-N -2 3 360.413 1.929 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@H]3C)nc(=O)c2c1CC(=O)[O-] ZINC000831479216 601539342 /nfs/dbraw/zinc/53/93/42/601539342.db2.gz KZRGFILVMAOOGH-MRVPVSSYSA-N -2 3 365.411 1.383 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c1F ZINC000833294394 602176206 /nfs/dbraw/zinc/17/62/06/602176206.db2.gz BYJVUAOKKYTLBW-FBIMIBRVSA-N -2 3 361.366 1.899 20 0 FDADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000740506330 602567766 /nfs/dbraw/zinc/56/77/66/602567766.db2.gz KXFLGMMTMNAYIZ-LLVKDONJSA-N -2 3 353.425 1.841 20 0 FDADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740506762 602569224 /nfs/dbraw/zinc/56/92/24/602569224.db2.gz NLSWLVSPUPGFPG-ZCFIWIBFSA-N -2 3 355.235 1.541 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000739784664 602592934 /nfs/dbraw/zinc/59/29/34/602592934.db2.gz PIARRHRIAMOOSV-JTQLQIEISA-N -2 3 360.363 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1.517 20 0 FDADHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c([O-])c1 ZINC000055647538 671237996 /nfs/dbraw/zinc/23/79/96/671237996.db2.gz GNOFMKFLVOQTCB-UHFFFAOYSA-N -2 3 365.367 1.541 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)cnc1Cl ZINC000189130800 672305157 /nfs/dbraw/zinc/30/51/57/672305157.db2.gz IHLLUJXMENYMHP-UHFFFAOYSA-N -2 3 354.819 1.736 20 0 FDADHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000190295750 672323072 /nfs/dbraw/zinc/32/30/72/672323072.db2.gz VKQNGMONWOLKBU-UHFFFAOYSA-N -2 3 367.189 1.489 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)o1 ZINC000263018853 672858432 /nfs/dbraw/zinc/85/84/32/672858432.db2.gz XUTYVWNRQFDWRO-NSHDSACASA-N -2 3 358.416 1.213 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281954889 675578968 /nfs/dbraw/zinc/57/89/68/675578968.db2.gz SKMVOTQKKKFERZ-QMMMGPOBSA-N -2 3 370.196 1.356 20 0 FDADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285285608 675816027 /nfs/dbraw/zinc/81/60/27/675816027.db2.gz WZFIVKGVTUEMAV-ANLVUFKYSA-N -2 3 361.725 1.471 20 0 FDADHL CC(C)O[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000295468473 676406377 /nfs/dbraw/zinc/40/63/77/676406377.db2.gz CUZZJBLDPOHRNP-UHFFFAOYSA-N -2 3 357.251 1.245 20 0 FDADHL N#Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000319257963 676557881 /nfs/dbraw/zinc/55/78/81/676557881.db2.gz CHGVSDMVUUJDBZ-QMMMGPOBSA-N -2 3 356.709 1.896 20 0 FDADHL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424066393 680828179 /nfs/dbraw/zinc/82/81/79/680828179.db2.gz SMSIMDAHKUNHPY-UHFFFAOYSA-N -2 3 355.412 1.902 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000417437813 679892257 /nfs/dbraw/zinc/89/22/57/679892257.db2.gz IAJZKZGHJOTIDH-SECBINFHSA-N -2 3 363.461 1.659 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc1OC ZINC000421804641 680676912 /nfs/dbraw/zinc/67/69/12/680676912.db2.gz JUMYRMVCAZAGIC-NXEZZACHSA-N -2 3 374.415 1.274 20 0 FDADHL COC(=O)c1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)[n-]1 ZINC000431800050 681135241 /nfs/dbraw/zinc/13/52/41/681135241.db2.gz NTORWSNPGREFQO-UHFFFAOYSA-N -2 3 367.383 1.434 20 0 FDADHL COc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc(Cl)c1[O-] ZINC000443130603 682238992 /nfs/dbraw/zinc/23/89/92/682238992.db2.gz PKWXUTWLHIQVNW-UHFFFAOYSA-N -2 3 372.786 1.660 20 0 FDADHL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C(F)(F)F)n1 ZINC000463429882 684690790 /nfs/dbraw/zinc/69/07/90/684690790.db2.gz KUJQFOUPGYHWKR-UHFFFAOYSA-N -2 3 374.300 1.123 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1C(=O)[O-] ZINC000470242394 685017478 /nfs/dbraw/zinc/01/74/78/685017478.db2.gz QQKSRYOMPDYFRU-UHFFFAOYSA-N -2 3 365.346 1.448 20 0 FDADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])cn1 ZINC000514768394 689763330 /nfs/dbraw/zinc/76/33/30/689763330.db2.gz FGKLBWHINOYVIK-NSHDSACASA-N -2 3 361.782 1.187 20 0 FDADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897059 768821557 /nfs/dbraw/zinc/82/15/57/768821557.db2.gz CGNPQXIGJVKDCQ-SECBINFHSA-N -2 3 366.436 1.438 20 0 FDADHL O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000890531630 769495479 /nfs/dbraw/zinc/49/54/79/769495479.db2.gz XKYLTWLNWCFAPN-VIFPVBQESA-N -2 3 368.315 1.915 20 0 FDADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000656163263 773954459 /nfs/dbraw/zinc/95/44/59/773954459.db2.gz SWOZINLWHLVCCH-MRVPVSSYSA-N -2 3 358.160 1.679 20 0 FDADHL O=C([O-])c1conc1C[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000656165491 773958024 /nfs/dbraw/zinc/95/80/24/773958024.db2.gz SMLVYGWWMINLEP-UHFFFAOYSA-N -2 3 364.339 1.265 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000683920532 774268406 /nfs/dbraw/zinc/26/84/06/774268406.db2.gz DUEBLGLBGXXCJA-GDBMZVCRSA-N -2 3 372.381 1.599 20 0 FDADHL O=C([O-])[C@@]1(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCc2ccccc21 ZINC000683920697 774269298 /nfs/dbraw/zinc/26/92/98/774269298.db2.gz HCYKTIJJQQOKMI-LJQANCHMSA-N -2 3 365.345 1.618 20 0 FDADHL C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983740160 818915714 /nfs/dbraw/zinc/91/57/14/818915714.db2.gz KCTOKJGPAYOYJA-OLZOCXBDSA-N -2 3 370.409 1.559 20 0 FDADHL CC(C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000760133441 829244231 /nfs/dbraw/zinc/24/42/31/829244231.db2.gz XAYHDJSESVURJC-UHFFFAOYSA-N -2 3 352.409 1.048 20 0 FDADHL Cc1cnc(C(=O)NCCN(C(=O)c2ncc(C)cc2[O-])C2CC2)c([O-])c1 ZINC000460202665 839356556 /nfs/dbraw/zinc/35/65/56/839356556.db2.gz PKLUNIAIRFBIQW-UHFFFAOYSA-N -2 3 370.409 1.539 20 0 FDADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000906011382 852537538 /nfs/dbraw/zinc/53/75/38/852537538.db2.gz SJCTUEXBRYXUGT-NOZJJQNGSA-N -2 3 351.783 1.780 20 0 FDADHL C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906985591 853639503 /nfs/dbraw/zinc/63/95/03/853639503.db2.gz DFWWUEZSKLCLRN-AAEUAGOBSA-N -2 3 354.428 1.338 20 0 FDADHL O=c1cc(N2CC[C@H]([N-]S(=O)(=O)c3c(F)cc(F)cc3F)C2)nc[n-]1 ZINC000908240445 855224338 /nfs/dbraw/zinc/22/43/38/855224338.db2.gz JLFLVKJLNDKWEU-VIFPVBQESA-N -2 3 374.344 1.157 20 0 FDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(I)c([O-])c1 ZINC000760811934 863283158 /nfs/dbraw/zinc/28/31/58/863283158.db2.gz JKVFOYIETGLHON-UHFFFAOYSA-N -2 3 361.095 1.178 20 0 FDADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CC1 ZINC000761322616 864995333 /nfs/dbraw/zinc/99/53/33/864995333.db2.gz ZZLJGEXIMWFCCP-NSHDSACASA-N -2 3 363.338 1.283 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-]CCc2c(F)cc([O-])cc2F)c1Cl ZINC000921966993 893616520 /nfs/dbraw/zinc/61/65/20/893616520.db2.gz PWTUTAOCIYPRMH-UHFFFAOYSA-N -2 3 351.762 1.578 20 0 FDADHL C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cncc([O-])c2)C1=O ZINC000731864194 918748432 /nfs/dbraw/zinc/74/84/32/918748432.db2.gz OHUFADWJHIPPOC-GOSISDBHSA-N -2 3 354.366 1.375 20 0 FDADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC000787249905 932230011 /nfs/dbraw/zinc/23/00/11/932230011.db2.gz KGEGHXRTUZCIJS-JTQLQIEISA-N -2 3 359.297 1.770 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000790067296 933330915 /nfs/dbraw/zinc/33/09/15/933330915.db2.gz DPFAGFJSUYKVJQ-UHFFFAOYSA-N -2 3 373.774 1.437 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c1F ZINC000806640571 939994629 /nfs/dbraw/zinc/99/46/29/939994629.db2.gz OGQVAAYWXUPOHD-SECBINFHSA-N -2 3 363.338 1.283 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809550272 940860778 /nfs/dbraw/zinc/86/07/78/940860778.db2.gz AXILUVOBECCMMT-JTQLQIEISA-N -2 3 359.791 1.192 20 0 FDADHL COC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195250179 970792836 /nfs/dbraw/zinc/79/28/36/970792836.db2.gz VMQXCIZXTAYILQ-UHFFFAOYSA-N -2 3 351.327 1.141 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CO)c2cccs2)c(F)cc1F ZINC001195254556 970796421 /nfs/dbraw/zinc/79/64/21/970796421.db2.gz MVNARZBPCSKUNM-SNVBAGLBSA-N -2 3 363.363 1.736 20 0 FDADHL O=S(=O)([N-]c1n[nH]c2ccc(F)cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000823589448 946451636 /nfs/dbraw/zinc/45/16/36/946451636.db2.gz ZPNOKMSARAFAPR-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL O=S(=O)([N-]c1n[nH]c2ccc(F)cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000823589448 946451644 /nfs/dbraw/zinc/45/16/44/946451644.db2.gz ZPNOKMSARAFAPR-UHFFFAOYSA-N -2 3 359.346 1.683 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000824754729 946926399 /nfs/dbraw/zinc/92/63/99/946926399.db2.gz JUQBCYXBKZEFFG-NSHDSACASA-N -2 3 367.365 1.900 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000824754729 946926405 /nfs/dbraw/zinc/92/64/05/946926405.db2.gz JUQBCYXBKZEFFG-NSHDSACASA-N -2 3 367.365 1.900 20 0 FDADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824897452 946977693 /nfs/dbraw/zinc/97/76/93/946977693.db2.gz AKRZQLPCUHJRFA-DTWKUNHWSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824897452 946977700 /nfs/dbraw/zinc/97/77/00/946977700.db2.gz AKRZQLPCUHJRFA-DTWKUNHWSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824897451 946977869 /nfs/dbraw/zinc/97/78/69/946977869.db2.gz AKRZQLPCUHJRFA-BDAKNGLRSA-N -2 3 369.834 1.761 20 0 FDADHL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824897451 946977873 /nfs/dbraw/zinc/97/78/73/946977873.db2.gz AKRZQLPCUHJRFA-BDAKNGLRSA-N -2 3 369.834 1.761 20 0 FDADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c(C(=O)[O-])c1 ZINC000844665146 948291935 /nfs/dbraw/zinc/29/19/35/948291935.db2.gz XFKIJMZPSQMZPQ-ZDUSSCGKSA-N -2 3 359.400 1.867 20 0 FDADHL O=Cc1ccc(-c2ccc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c([O-])c2)o1 ZINC001144255228 948498778 /nfs/dbraw/zinc/49/87/78/948498778.db2.gz SQOHOEXGLHPSGS-HNNXBMFYSA-N -2 3 369.337 1.192 20 0 FDADHL C[C@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1nn(C)cc1[O-] ZINC001575254232 949197724 /nfs/dbraw/zinc/19/77/24/949197724.db2.gz LZYAAULDIKLLNG-JTQLQIEISA-N -2 3 353.386 1.215 20 0 FDADHL CCOC(=O)c1ncc(NC(=O)c2ccc(-n3[n-]c(C)cc3=O)cc2)[n-]1 ZINC001148329287 952689423 /nfs/dbraw/zinc/68/94/23/952689423.db2.gz NBJQVIUOMHMEBB-UHFFFAOYSA-N -2 3 355.354 1.951 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOC1 ZINC001594884796 954451907 /nfs/dbraw/zinc/45/19/07/954451907.db2.gz QQAWYGLWEAGVGE-CQSZACIVSA-N -2 3 354.409 1.332 20 0 FDADHL CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589473870 954941639 /nfs/dbraw/zinc/94/16/39/954941639.db2.gz KAYIMCRXUIBWTH-GHMZBOCLSA-N -2 3 351.403 1.758 20 0 FDADHL C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000389278628 972216300 /nfs/dbraw/zinc/21/63/00/972216300.db2.gz KCVIIAQLMYXORD-WDSKDSINSA-N -2 3 370.246 1.913 20 0 FDADHL CC(=O)NCCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC001588506961 958735472 /nfs/dbraw/zinc/73/54/72/958735472.db2.gz XHUNTGVEYKNONY-LLVKDONJSA-N -2 3 354.378 1.292 20 0 FDADHL Cn1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259221890 960684764 /nfs/dbraw/zinc/68/47/64/960684764.db2.gz YFSHDYONCNUJLR-UHFFFAOYSA-N -2 3 361.782 1.432 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001261889164 960773013 /nfs/dbraw/zinc/77/30/13/960773013.db2.gz PIMVDLFABBJICB-YFKPBYRVSA-N -2 3 362.713 1.132 20 0 FDADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC001329311217 961265106 /nfs/dbraw/zinc/26/51/06/961265106.db2.gz RJETVJGYARGBAM-OLQVQODUSA-N -2 3 358.725 1.895 20 0 FDADHL O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)Nc1ncccc1[O-] ZINC001182543819 962296579 /nfs/dbraw/zinc/29/65/79/962296579.db2.gz AOLSJDAPJXBPLH-CYBMUJFWSA-N -2 3 373.390 1.699 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC001182573062 962316852 /nfs/dbraw/zinc/31/68/52/962316852.db2.gz DIYTVYYYWHDVNH-UHFFFAOYSA-N -2 3 358.306 1.619 20 0 FDADHL COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)nc21 ZINC001574094925 962360817 /nfs/dbraw/zinc/36/08/17/962360817.db2.gz KTKWNIVPAHPRPD-VHSXEESVSA-N -2 3 361.354 1.558 20 0 FDADHL CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)=C(C)[O-] ZINC001184528549 963634809 /nfs/dbraw/zinc/63/48/09/963634809.db2.gz GCBUKPXFSAGYLT-GFCCVEGCSA-N -2 3 368.238 1.934 20 0 FDADHL COc1ncnc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184660271 963681198 /nfs/dbraw/zinc/68/11/98/963681198.db2.gz YGCXWHKBOIXDLH-UHFFFAOYSA-N -2 3 357.775 1.946 20 0 FDADHL COc1nc(Cl)cnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566227 963979817 /nfs/dbraw/zinc/97/98/17/963979817.db2.gz KPAOKHZGJQGULV-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL COc1nc(Cl)cnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566227 963979818 /nfs/dbraw/zinc/97/98/18/963979818.db2.gz KPAOKHZGJQGULV-UHFFFAOYSA-N -2 3 367.778 1.120 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(CC2CCC2)n1 ZINC001185567880 963980799 /nfs/dbraw/zinc/98/07/99/963980799.db2.gz IIDWREYPXFMWIA-UHFFFAOYSA-N -2 3 373.442 1.973 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(CC2CCC2)n1 ZINC001185567880 963980801 /nfs/dbraw/zinc/98/08/01/963980801.db2.gz IIDWREYPXFMWIA-UHFFFAOYSA-N -2 3 373.442 1.973 20 0 FDADHL O=C(Nc1nc(Br)ccc1[O-])c1nn[n-]c1C(F)(F)F ZINC001187759313 965723395 /nfs/dbraw/zinc/72/33/95/965723395.db2.gz XPICILZRBPQMSI-UHFFFAOYSA-N -2 3 352.070 1.939 20 0 FDADHL O=C(Nc1nc(Br)ccc1[O-])c1[n-]nnc1C(F)(F)F ZINC001187759313 965723408 /nfs/dbraw/zinc/72/34/08/965723408.db2.gz XPICILZRBPQMSI-UHFFFAOYSA-N -2 3 352.070 1.939 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)(CC(=O)[O-])C(=O)[O-] ZINC000776585738 967221139 /nfs/dbraw/zinc/22/11/39/967221139.db2.gz WTOLLQZMPHYGEP-NSHDSACASA-N -3 3 371.198 1.232 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nonc21)c1c(F)cccc1F ZINC000776588877 967268529 /nfs/dbraw/zinc/26/85/29/967268529.db2.gz UJJBNLBFOTWYED-CYBMUJFWSA-N -2 3 369.305 1.605 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000776596604 967353357 /nfs/dbraw/zinc/35/33/57/967353357.db2.gz KOTWGXTZWYIXGY-UONOGXRCSA-N -2 3 373.789 1.944 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000776596602 967353610 /nfs/dbraw/zinc/35/36/10/967353610.db2.gz KOTWGXTZWYIXGY-KBPBESRZSA-N -2 3 373.789 1.944 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001192682700 969228805 /nfs/dbraw/zinc/22/88/05/969228805.db2.gz BTYPEFFWTKRUTH-UHFFFAOYSA-N -2 3 365.367 1.324 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1F ZINC000843337122 969239537 /nfs/dbraw/zinc/23/95/37/969239537.db2.gz UBQFASDJSVYUHH-UHFFFAOYSA-N -2 3 358.391 1.061 20 0 FDADHL CC(=O)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193268904 969597945 /nfs/dbraw/zinc/59/79/45/969597945.db2.gz HSWBQFHESRWPNL-UHFFFAOYSA-N -2 3 362.407 1.854 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c(C)o1 ZINC001604249137 972776155 /nfs/dbraw/zinc/77/61/55/972776155.db2.gz RULPSLXHPGYHCV-CQSZACIVSA-N -2 3 366.395 1.360 20 0 FDADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000863416217 972891709 /nfs/dbraw/zinc/89/17/09/972891709.db2.gz FATHHUDLPKGECJ-QMMMGPOBSA-N -2 3 363.779 1.033 20 0 FDADHL C[C@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C[C@@H]1C(=O)[O-] ZINC001603426194 973155538 /nfs/dbraw/zinc/15/55/38/973155538.db2.gz CBOWMMMTXOIDDH-UFBFGSQYSA-N -2 3 350.321 1.989 20 0 FDADHL O=C([O-])CN1CCCC[C@H](NCc2cccc([O-])c2Br)C1=O ZINC001606259390 973620416 /nfs/dbraw/zinc/62/04/16/973620416.db2.gz USQZYMPDMRYBCH-NSHDSACASA-N -2 3 371.231 1.710 20 0 FDADHL COc1cccc(-n2cncc2C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001199387632 974201602 /nfs/dbraw/zinc/20/16/02/974201602.db2.gz JNDUEECXDDFENN-UHFFFAOYSA-N -2 3 353.315 1.569 20 0 FDADHL COC(=O)CCCS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)OC)c1[O-] ZINC001201915982 975203124 /nfs/dbraw/zinc/20/31/24/975203124.db2.gz UVHWANUPPJAYHS-UHFFFAOYSA-N -2 3 365.791 1.527 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1F ZINC001591668939 975426342 /nfs/dbraw/zinc/42/63/42/975426342.db2.gz GLEPRLVLFADHSP-WCQYABFASA-N -2 3 372.418 1.496 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1F ZINC000848450407 976761236 /nfs/dbraw/zinc/76/12/36/976761236.db2.gz CJJOLPNRUJHJCR-LBPRGKRZSA-N -2 3 374.434 1.599 20 0 FDADHL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001592216534 977283295 /nfs/dbraw/zinc/28/32/95/977283295.db2.gz IFBSYVVGNADEPO-LNWBAMOKSA-N -2 3 350.393 1.146 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(=O)[O-] ZINC001592519447 978362746 /nfs/dbraw/zinc/36/27/46/978362746.db2.gz FYFMQXXZEGIBFH-ZETCQYMHSA-N -3 3 367.782 1.957 20 0 FDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000776493756 978677861 /nfs/dbraw/zinc/67/78/61/978677861.db2.gz RZHULFIIZRPZBS-JTQLQIEISA-N -2 3 364.807 1.299 20 0 FDADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1 ZINC000794760168 978820146 /nfs/dbraw/zinc/82/01/46/978820146.db2.gz CWEYVNPSXPSANE-UHFFFAOYSA-N -2 3 361.391 1.782 20 0 FDADHL C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001592755522 979332571 /nfs/dbraw/zinc/33/25/71/979332571.db2.gz JIUYRIAQLHVYRT-RITPCOANSA-N -2 3 372.262 1.504 20 0 FDADHL C[C@@](CO)([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001592755617 979333504 /nfs/dbraw/zinc/33/35/04/979333504.db2.gz MHQPJWUJYZJLFJ-NSHDSACASA-N -2 3 350.805 1.064 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000776571356 979391402 /nfs/dbraw/zinc/39/14/02/979391402.db2.gz KWRUNKDNPSQILT-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000848692335 979477154 /nfs/dbraw/zinc/47/71/54/979477154.db2.gz LXQVUTANOZCPJU-RMKNXTFCSA-N -2 3 365.415 1.004 20 0 FDADHL CC[C@](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)(C(=O)[O-])c1ccccc1 ZINC001595164492 979707398 /nfs/dbraw/zinc/70/73/98/979707398.db2.gz WJJYTAUHEPEBPF-HXUWFJFHSA-N -2 3 366.373 1.733 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)[C@H](O)C(F)F ZINC001595310157 980466100 /nfs/dbraw/zinc/46/61/00/980466100.db2.gz BXSJAANSBORBEY-ONGXEEELSA-N -2 3 355.334 1.515 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])c1noc(C)n1 ZINC001595313598 980478578 /nfs/dbraw/zinc/47/85/78/980478578.db2.gz UDLHWVVAXLPIFM-GFCCVEGCSA-N -2 3 369.399 1.443 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](O)c1ccccc1F ZINC001595317576 980494617 /nfs/dbraw/zinc/49/46/17/980494617.db2.gz ZVEPOIXXAVBDOW-ZWNOBZJWSA-N -2 3 374.415 1.771 20 0 FDADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](O)c1ccccc1F ZINC001595317575 980494948 /nfs/dbraw/zinc/49/49/48/980494948.db2.gz ZVEPOIXXAVBDOW-MFKMUULPSA-N -2 3 374.415 1.771 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1-c1nn[n-]n1 ZINC000826299720 981926470 /nfs/dbraw/zinc/92/64/70/981926470.db2.gz RMIIORQQNMCFNA-UHFFFAOYSA-N -2 3 371.378 1.646 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC000826299739 981926535 /nfs/dbraw/zinc/92/65/35/981926535.db2.gz SJZOMJVDGJRSKI-UHFFFAOYSA-N -2 3 357.395 1.911 20 0 FDADHL CCCCC[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-] ZINC001595688101 982182629 /nfs/dbraw/zinc/18/26/29/982182629.db2.gz WWLBHYZPXQPFHO-QMMMGPOBSA-N -2 3 368.253 1.494 20 0 FDADHL COc1ccc(OC)c(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000645957810 1014974190 /nfs/dbraw/zinc/97/41/90/1014974190.db2.gz QQOCEWKQUDXUBI-UHFFFAOYSA-N -2 3 372.424 1.380 20 0 FDADHL CCOC(=O)c1cccc2[n-]c(NC(=O)CCSCC(=O)[O-])nc21 ZINC001596731026 984998455 /nfs/dbraw/zinc/99/84/55/984998455.db2.gz VVAHNMDQBHMFNA-UHFFFAOYSA-N -2 3 351.384 1.886 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c[n-]1 ZINC001596749072 985082228 /nfs/dbraw/zinc/08/22/28/985082228.db2.gz BIEFVQWMBIKWRU-UHFFFAOYSA-N -3 3 371.346 1.533 20 0 FDADHL CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])no1 ZINC001596950868 986115646 /nfs/dbraw/zinc/11/56/46/986115646.db2.gz PQZWYDVCYXZBAA-VIFPVBQESA-N -2 3 355.372 1.344 20 0 FDADHL C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594545524 986210130 /nfs/dbraw/zinc/21/01/30/986210130.db2.gz UTLDJHQZIPRGJI-SWLSCSKDSA-N -2 3 364.423 1.777 20 0 FDADHL C[C@@H]1OC[C@]2(CC[C@H](C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)O2)[C@H]1C ZINC001594641278 986792750 /nfs/dbraw/zinc/79/27/50/986792750.db2.gz WQUBAZJEQBRYRV-KIGUWFBYSA-N -2 3 359.400 1.229 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1OC ZINC001597231426 987189658 /nfs/dbraw/zinc/18/96/58/987189658.db2.gz OJONIRDUZUNZRU-UHFFFAOYSA-N -2 3 367.383 1.735 20 0 FDADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)n1 ZINC000871771067 987230223 /nfs/dbraw/zinc/23/02/23/987230223.db2.gz PYSMFXFORKMOQE-MRVPVSSYSA-N -2 3 354.400 1.625 20 0 FDADHL CC(C)(C(=O)[O-])c1csc(NC(=O)CNC(=O)c2ccc([O-])cc2)n1 ZINC001589649538 987591370 /nfs/dbraw/zinc/59/13/70/987591370.db2.gz QJJAESJOQHZBCP-UHFFFAOYSA-N -2 3 363.395 1.579 20 0 FDADHL CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001599793615 988054805 /nfs/dbraw/zinc/05/48/05/988054805.db2.gz SFTKFWIGVOHMCJ-MRVPVSSYSA-N -2 3 371.839 1.570 20 0 FDADHL CC(C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001590898897 990850528 /nfs/dbraw/zinc/85/05/28/990850528.db2.gz CXKRYIPRWZUCMT-UHFFFAOYSA-N -2 3 370.196 1.336 20 0 FDADHL COc1ccccc1C[C@H](CNC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001599707439 991315038 /nfs/dbraw/zinc/31/50/38/991315038.db2.gz NAWYZYJFOPHUJZ-CQSZACIVSA-N -2 3 373.409 1.410 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001591034026 991350117 /nfs/dbraw/zinc/35/01/17/991350117.db2.gz XCGMUUUNYIAMHV-JTQLQIEISA-N -3 3 353.755 1.565 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1(CO)CC=CC1 ZINC001591035795 991356513 /nfs/dbraw/zinc/35/65/13/991356513.db2.gz IHEHSJXZYIDCLM-LBPRGKRZSA-N -2 3 360.457 1.473 20 0 FDADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599714750 991434131 /nfs/dbraw/zinc/43/41/31/991434131.db2.gz HLHKLFUYMPFCSN-SNVBAGLBSA-N -2 3 355.368 1.732 20 0 FDADHL COc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC001599734522 991754824 /nfs/dbraw/zinc/75/48/24/991754824.db2.gz JWZOHKXRDMSMHL-LBPRGKRZSA-N -2 3 356.425 1.873 20 0 FDADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccc(F)cc1 ZINC001598587218 993401567 /nfs/dbraw/zinc/40/15/67/993401567.db2.gz FQTNODHMTKZLMJ-DZGCQCFKSA-N -2 3 368.386 1.841 20 0 FDADHL COc1ccc(NC[C@H]2[C@H](C(=O)[O-])C2(F)F)cc1[N-]S(C)(=O)=O ZINC001599597206 993764062 /nfs/dbraw/zinc/76/40/62/993764062.db2.gz JGVLWGSOBFJAJV-GZMMTYOYSA-N -2 3 350.343 1.445 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c(C)o1 ZINC001598673774 994806130 /nfs/dbraw/zinc/80/61/30/994806130.db2.gz ATZHWGLNFLBMCQ-UHFFFAOYSA-N -2 3 367.383 1.458 20 0 FDADHL C[C@H](NS(=O)(=O)C1CCC(C(=O)[O-])CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001593320525 994856215 /nfs/dbraw/zinc/85/62/15/994856215.db2.gz XOEAKTBSGTXOAE-KKMMWDRVSA-N -2 3 370.353 1.447 20 0 FDADHL C[C@@]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)(C(=O)[O-])C1CC1 ZINC001593324550 994861172 /nfs/dbraw/zinc/86/11/72/994861172.db2.gz AROMWGPBBKRXFI-YEJXKQKISA-N -2 3 352.478 1.505 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC001593347561 994958374 /nfs/dbraw/zinc/95/83/74/994958374.db2.gz PADLBFLSPQPJKY-KOLCDFICSA-N -2 3 356.425 1.112 20 0 FDADHL COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001598685984 995003175 /nfs/dbraw/zinc/00/31/75/995003175.db2.gz OWLIPLQHUCEOTC-CQSZACIVSA-N -2 3 365.354 1.402 20 0 FDADHL COC(=O)/C(C)=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001598689241 995038488 /nfs/dbraw/zinc/03/84/88/995038488.db2.gz TXCDYBNAPGYEMX-XVNBXDOJSA-N -2 3 365.766 1.575 20 0 FDADHL C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccccc1F ZINC001593433361 995266895 /nfs/dbraw/zinc/26/68/95/995266895.db2.gz WZHRFMAUAXALBD-AMIZOPFISA-N -2 3 359.400 1.986 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc(C)c(C)c1 ZINC001598708566 995319420 /nfs/dbraw/zinc/31/94/20/995319420.db2.gz FSMLRNZTYDNFBL-ZDUSSCGKSA-N -2 3 355.412 1.302 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)c1ccc(C)c(C)c1 ZINC001598708562 995319701 /nfs/dbraw/zinc/31/97/01/995319701.db2.gz FRFRVZOAAIQJEQ-ZDUSSCGKSA-N -2 3 355.412 1.444 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC001598709026 995325024 /nfs/dbraw/zinc/32/50/24/995325024.db2.gz LBLFJXNOSIYRMA-JXQTWKCFSA-N -2 3 361.460 1.671 20 0 FDADHL C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593552642 995630665 /nfs/dbraw/zinc/63/06/65/995630665.db2.gz DSOPOTJSNFCQGO-JTQLQIEISA-N -2 3 361.354 1.538 20 0 FDADHL C[C@@H](c1ccccc1)N(C)C(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593706320 996196179 /nfs/dbraw/zinc/19/61/79/996196179.db2.gz PJGUAFGJCTVQFN-IRDXTQHGSA-N -2 3 374.437 1.703 20 0 FDADHL CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001593924332 996847021 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CC[C@](C)(C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000274927414 181196804 /nfs/dbraw/zinc/19/68/04/181196804.db2.gz CHKYTDZASOSSTO-CYBMUJFWSA-N -2 3 365.429 1.323 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000274975060 181209809 /nfs/dbraw/zinc/20/98/09/181209809.db2.gz JCIGVYWBTHGRFA-SECBINFHSA-N -2 3 351.856 1.940 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-] ZINC000274965786 181207781 /nfs/dbraw/zinc/20/77/81/181207781.db2.gz VNMZAUMGRVPDSY-VIFPVBQESA-N -2 3 365.404 1.097 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cn1C ZINC000275050925 181225513 /nfs/dbraw/zinc/22/55/13/181225513.db2.gz SJOHWHATPGRHCE-CQSZACIVSA-N -2 3 351.428 1.259 20 0 FDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000275065065 181228892 /nfs/dbraw/zinc/22/88/92/181228892.db2.gz VHWSARNUOZJGEZ-VIFPVBQESA-N -2 3 355.199 1.489 20 0 FDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000275066961 181229378 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C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)O1 ZINC000568277558 548472203 /nfs/dbraw/zinc/47/22/03/548472203.db2.gz WYKWRNCLDYMNGS-YWVKMMECSA-N -2 3 358.372 1.385 20 0 FDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000568362822 548504931 /nfs/dbraw/zinc/50/49/31/548504931.db2.gz NKNOBJKFGASCDW-UHFFFAOYSA-N -2 3 352.181 1.731 20 0 FDADHL COc1cccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1OC ZINC000568863147 548709821 /nfs/dbraw/zinc/70/98/21/548709821.db2.gz JJMOYOMVMOVGMG-UHFFFAOYSA-N -2 3 355.368 1.516 20 0 FDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000569008917 548767087 /nfs/dbraw/zinc/76/70/87/548767087.db2.gz VBWOJZOJOSAXEL-MRVPVSSYSA-N -2 3 372.624 1.480 20 0 FDADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000569076573 548786074 /nfs/dbraw/zinc/78/60/74/548786074.db2.gz UOXPOTUKDDSROU-GFCCVEGCSA-N -2 3 369.370 1.664 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)c1 ZINC000570021484 549130708 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ZINC000578282864 550747514 /nfs/dbraw/zinc/74/75/14/550747514.db2.gz XFIKVNKPXGFIGT-UHFFFAOYSA-N -2 3 361.383 1.781 20 0 FDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000582244455 551196373 /nfs/dbraw/zinc/19/63/73/551196373.db2.gz BRTJHJFBBVTPON-QMMMGPOBSA-N -2 3 351.384 1.604 20 0 FDADHL COc1ccc(CCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000582358041 551212565 /nfs/dbraw/zinc/21/25/65/551212565.db2.gz APQTYFXXYWRPAA-UHFFFAOYSA-N -2 3 356.425 1.761 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccco1)Cc1cc(F)c(F)c(F)c1 ZINC000582762179 551263706 /nfs/dbraw/zinc/26/37/06/551263706.db2.gz BGLVAIIEONCKAP-SECBINFHSA-N -2 3 363.313 1.919 20 0 FDADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cn21 ZINC000583920409 551421279 /nfs/dbraw/zinc/42/12/79/551421279.db2.gz IEWKTUOWVDMNTD-YUMQZZPRSA-N -2 3 355.338 1.464 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000584588905 551522740 /nfs/dbraw/zinc/52/27/40/551522740.db2.gz 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CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC000593895225 552219953 /nfs/dbraw/zinc/21/99/53/552219953.db2.gz VYSCNECKYOSHBR-VIFPVBQESA-N -2 3 350.379 1.236 20 0 FDADHL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000594572806 552334940 /nfs/dbraw/zinc/33/49/40/552334940.db2.gz CMTWDOCZZWFYPQ-NSHDSACASA-N -2 3 367.782 1.608 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C1CCC1 ZINC000596028190 552646499 /nfs/dbraw/zinc/64/64/99/552646499.db2.gz XCBJTCUUOBYISL-JTQLQIEISA-N -2 3 359.375 1.392 20 0 FDADHL CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ncc(C)cc2[O-])n[n-]1 ZINC000597578763 552807625 /nfs/dbraw/zinc/80/76/25/552807625.db2.gz GBYMCYCQKIZHNL-NSHDSACASA-N -2 3 361.402 1.908 20 0 FDADHL CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ncc(C)cc2[O-])[n-]1 ZINC000597578763 552807626 /nfs/dbraw/zinc/80/76/26/552807626.db2.gz GBYMCYCQKIZHNL-NSHDSACASA-N -2 3 361.402 1.908 20 0 FDADHL CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ncc(C)cc2[O-])n1 ZINC000597578763 552807628 /nfs/dbraw/zinc/80/76/28/552807628.db2.gz GBYMCYCQKIZHNL-NSHDSACASA-N -2 3 361.402 1.908 20 0 FDADHL CCN(C)S(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000611291068 554623553 /nfs/dbraw/zinc/62/35/53/554623553.db2.gz PBHWAAPIWKPJOW-UHFFFAOYSA-N -2 3 356.185 1.605 20 0 FDADHL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000611413178 554631869 /nfs/dbraw/zinc/63/18/69/554631869.db2.gz WCHFGPCHRRRRBZ-UHFFFAOYSA-N -2 3 367.379 1.997 20 0 FDADHL CCCC[C@@H](CNC(=O)c1cncc([O-])c1)NC(=O)c1cncc([O-])c1 ZINC000612289572 554758972 /nfs/dbraw/zinc/75/89/72/554758972.db2.gz HIJKGBBCVCAINO-AWEZNQCLSA-N -2 3 358.398 1.606 20 0 FDADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000614351997 555041537 /nfs/dbraw/zinc/04/15/37/555041537.db2.gz WEGZJWFGOSMGTN-NSHDSACASA-N -2 3 361.489 1.964 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c[n-]1 ZINC000618906315 555693752 /nfs/dbraw/zinc/69/37/52/555693752.db2.gz FQTKOGFUVBMJEO-UHFFFAOYSA-N -2 3 353.356 1.158 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[n-]1 ZINC000618906315 555693753 /nfs/dbraw/zinc/69/37/53/555693753.db2.gz FQTKOGFUVBMJEO-UHFFFAOYSA-N -2 3 353.356 1.158 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c[n-]1 ZINC000618906840 555694110 /nfs/dbraw/zinc/69/41/10/555694110.db2.gz YWCAWJCEYWNDMN-UHFFFAOYSA-N -2 3 351.384 1.980 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)[n-]1 ZINC000618906840 555694111 /nfs/dbraw/zinc/69/41/11/555694111.db2.gz YWCAWJCEYWNDMN-UHFFFAOYSA-N -2 3 351.384 1.980 20 0 FDADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000620966325 556012319 /nfs/dbraw/zinc/01/23/19/556012319.db2.gz SXFUTZKRNHFMFP-UHFFFAOYSA-N -2 3 362.379 1.570 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000621584990 556115756 /nfs/dbraw/zinc/11/57/56/556115756.db2.gz NILAKLQLPHQZLL-MFKMUULPSA-N -2 3 374.484 1.565 20 0 FDADHL CCO[C@H](CS(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2)C1CC1 ZINC000629290840 557753923 /nfs/dbraw/zinc/75/39/23/557753923.db2.gz VSEZZQRLGWVVFS-CQSZACIVSA-N -2 3 371.411 1.713 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000629312973 557760918 /nfs/dbraw/zinc/76/09/18/557760918.db2.gz SSALMMFKCQOHAE-VHSXEESVSA-N -2 3 361.445 1.413 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)oc1C(=O)[O-] ZINC000629332496 557766385 /nfs/dbraw/zinc/76/63/85/557766385.db2.gz JGXKQQVFJIJAAC-ZDUSSCGKSA-N -2 3 351.380 1.706 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630421299 557907862 /nfs/dbraw/zinc/90/78/62/557907862.db2.gz DEFVCQNGIRNDKZ-ONGXEEELSA-N -2 3 371.308 1.755 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)[C@@H]1CCCO1 ZINC000630422560 557908098 /nfs/dbraw/zinc/90/80/98/557908098.db2.gz MLPNGRZEHHOQMS-RYUDHWBXSA-N -2 3 351.783 1.531 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1CCCO1 ZINC000630424229 557908202 /nfs/dbraw/zinc/90/82/02/557908202.db2.gz VPONIIQELXJILX-IMTBSYHQSA-N -2 3 370.246 1.421 20 0 FDADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCOC1 ZINC000630432416 557908854 /nfs/dbraw/zinc/90/88/54/557908854.db2.gz LXUCRAVNYKIWTB-CYBMUJFWSA-N -2 3 351.783 1.639 20 0 FDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC000271899232 674394602 /nfs/dbraw/zinc/39/46/02/674394602.db2.gz YLOOOBZXQMCVQL-UHFFFAOYSA-N -2 3 358.391 1.250 20 0 FDADHL O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2N1 ZINC000738315892 598845928 /nfs/dbraw/zinc/84/59/28/598845928.db2.gz NEHUBUFVDKJMGH-UHFFFAOYSA-N -2 3 374.357 1.301 20 0 FDADHL O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2N1 ZINC000738315892 598845930 /nfs/dbraw/zinc/84/59/30/598845930.db2.gz NEHUBUFVDKJMGH-UHFFFAOYSA-N -2 3 374.357 1.301 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCC(C)(F)F ZINC000737300050 598976809 /nfs/dbraw/zinc/97/68/09/598976809.db2.gz VHMFTNYUNQRLLF-UHFFFAOYSA-N -2 3 359.358 1.415 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCC(C)(F)F ZINC000737300050 598976811 /nfs/dbraw/zinc/97/68/11/598976811.db2.gz VHMFTNYUNQRLLF-UHFFFAOYSA-N -2 3 359.358 1.415 20 0 FDADHL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737320991 598976990 /nfs/dbraw/zinc/97/69/90/598976990.db2.gz AMECEDATJUTRHX-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737320991 598976992 /nfs/dbraw/zinc/97/69/92/598976992.db2.gz AMECEDATJUTRHX-UHFFFAOYSA-N -2 3 371.422 1.911 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000377913532 599298556 /nfs/dbraw/zinc/29/85/56/599298556.db2.gz LTTLFUHEFAZTDP-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820011730 599230415 /nfs/dbraw/zinc/23/04/15/599230415.db2.gz PAQNESRSUDDTRM-UHFFFAOYSA-N -2 3 372.410 1.901 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c1F ZINC000760117048 597053800 /nfs/dbraw/zinc/05/38/00/597053800.db2.gz UASCOGJYFNOKBH-VIFPVBQESA-N -2 3 365.354 1.529 20 0 FDADHL O=C([O-])CSCC(=O)Nc1cc(I)ccc1[O-] ZINC000819539679 597484613 /nfs/dbraw/zinc/48/46/13/597484613.db2.gz IUOAVJYNPPJFNP-UHFFFAOYSA-N -2 3 367.164 1.753 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821669256 607327961 /nfs/dbraw/zinc/32/79/61/607327961.db2.gz CLTKITRMVBAXLR-UHFFFAOYSA-N -2 3 367.318 1.186 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736330345 598331232 /nfs/dbraw/zinc/33/12/32/598331232.db2.gz CSXGIAFLCXUFFW-ZDUSSCGKSA-N -2 3 365.459 1.885 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736330345 598331234 /nfs/dbraw/zinc/33/12/34/598331234.db2.gz CSXGIAFLCXUFFW-ZDUSSCGKSA-N -2 3 365.459 1.885 20 0 FDADHL O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737815488 598415082 /nfs/dbraw/zinc/41/50/82/598415082.db2.gz WQOSCYNYFHRNSH-SECBINFHSA-N -2 3 367.818 1.681 20 0 FDADHL O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737815488 598415083 /nfs/dbraw/zinc/41/50/83/598415083.db2.gz WQOSCYNYFHRNSH-SECBINFHSA-N -2 3 367.818 1.681 20 0 FDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735963951 598437657 /nfs/dbraw/zinc/43/76/57/598437657.db2.gz RTANGRHSYDFLRI-JTQLQIEISA-N -2 3 359.415 1.835 20 0 FDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735963951 598437659 /nfs/dbraw/zinc/43/76/59/598437659.db2.gz RTANGRHSYDFLRI-JTQLQIEISA-N -2 3 359.415 1.835 20 0 FDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736957338 598512875 /nfs/dbraw/zinc/51/28/75/598512875.db2.gz QLOWNJNOEMYYQC-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736957338 598512877 /nfs/dbraw/zinc/51/28/77/598512877.db2.gz QLOWNJNOEMYYQC-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737426479 598785704 /nfs/dbraw/zinc/78/57/04/598785704.db2.gz MQFSWGNFQKGKPO-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737426479 598785706 /nfs/dbraw/zinc/78/57/06/598785706.db2.gz MQFSWGNFQKGKPO-UHFFFAOYSA-N -2 3 371.422 1.613 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000736635050 599303201 /nfs/dbraw/zinc/30/32/01/599303201.db2.gz RXAGHTFNMRLVHW-LLVKDONJSA-N -2 3 353.404 1.186 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc12 ZINC000822530577 599304711 /nfs/dbraw/zinc/30/47/11/599304711.db2.gz IDTVIFPVLRLJOG-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc12 ZINC000822530577 599304714 /nfs/dbraw/zinc/30/47/14/599304714.db2.gz IDTVIFPVLRLJOG-UHFFFAOYSA-N -2 3 357.355 1.512 20 0 FDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822015672 599306018 /nfs/dbraw/zinc/30/60/18/599306018.db2.gz NFZWUUXONJZPJP-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735551690 599617279 /nfs/dbraw/zinc/61/72/79/599617279.db2.gz RJSITGKXWODICA-SECBINFHSA-N -2 3 363.424 1.537 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735551690 599617281 /nfs/dbraw/zinc/61/72/81/599617281.db2.gz RJSITGKXWODICA-SECBINFHSA-N -2 3 363.424 1.537 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000819866728 599619515 /nfs/dbraw/zinc/61/95/15/599619515.db2.gz PAFRVTLKSCGLSM-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000819866728 599619516 /nfs/dbraw/zinc/61/95/16/599619516.db2.gz PAFRVTLKSCGLSM-SNVBAGLBSA-N -2 3 361.383 1.209 20 0 FDADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690144 599621598 /nfs/dbraw/zinc/62/15/98/599621598.db2.gz HBCYLNXMGJFPGQ-FZMZJTMJSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690144 599621599 /nfs/dbraw/zinc/62/15/99/599621599.db2.gz HBCYLNXMGJFPGQ-FZMZJTMJSA-N -2 3 363.443 1.639 20 0 FDADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000738179083 600177476 /nfs/dbraw/zinc/17/74/76/600177476.db2.gz HJLZKDRMRVUOHX-JOCHJYFZSA-N -2 3 355.393 1.629 20 0 FDADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)c1 ZINC000740225359 600222366 /nfs/dbraw/zinc/22/23/66/600222366.db2.gz IOIZNHODDSRRKE-UHFFFAOYSA-N -2 3 374.378 1.449 20 0 FDADHL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1=O ZINC000737302303 600233909 /nfs/dbraw/zinc/23/39/09/600233909.db2.gz DAORXPGYAFHSAK-UHFFFAOYSA-N -2 3 358.322 1.645 20 0 FDADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000740167867 600445186 /nfs/dbraw/zinc/44/51/86/600445186.db2.gz KFURMTGQCYIHLW-UHFFFAOYSA-N -2 3 356.787 1.791 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1F ZINC000736478142 600618168 /nfs/dbraw/zinc/61/81/68/600618168.db2.gz TVFGZVAZPDQLOC-MRXNPFEDSA-N -2 3 372.418 1.496 20 0 FDADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826484052 607462733 /nfs/dbraw/zinc/46/27/33/607462733.db2.gz LRKOQUHGSKUHEP-AATRIKPKSA-N -2 3 351.779 1.656 20 0 FDADHL CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000736282741 600798230 /nfs/dbraw/zinc/79/82/30/600798230.db2.gz BNPXDKDGGRTYQZ-SNVBAGLBSA-N -2 3 374.415 1.559 20 0 FDADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000829202203 600993741 /nfs/dbraw/zinc/99/37/41/600993741.db2.gz KJUNQNCMQPSLJD-CQSZACIVSA-N -2 3 365.354 1.673 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C(=O)NCc2ccccc2)cc1C(=O)[O-] ZINC000833028692 601218554 /nfs/dbraw/zinc/21/85/54/601218554.db2.gz NOUXXOVYXTZGCA-SNVBAGLBSA-N -2 3 366.395 1.269 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)cc1C(=O)[O-] ZINC000833028743 601219801 /nfs/dbraw/zinc/21/98/01/601219801.db2.gz QBFCSGWJUAJJLQ-UHFFFAOYSA-N -2 3 372.443 1.602 20 0 FDADHL CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831016099 601222852 /nfs/dbraw/zinc/22/28/52/601222852.db2.gz SCQCYLKRQFYLCE-UHFFFAOYSA-N -2 3 366.395 1.167 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000831084452 601237265 /nfs/dbraw/zinc/23/72/65/601237265.db2.gz LDDYSGWOYNVRRO-NSHDSACASA-N -2 3 365.354 1.529 20 0 FDADHL O=C([O-])CC1(CS(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000833202204 601520572 /nfs/dbraw/zinc/52/05/72/601520572.db2.gz VEOLXSPFVNVYSF-UHFFFAOYSA-N -2 3 369.443 1.891 20 0 FDADHL Cc1sc(NC(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c(C(=O)[O-])c1C ZINC000833036265 601577517 /nfs/dbraw/zinc/57/75/17/601577517.db2.gz IXHDJOBYILGPKS-UHFFFAOYSA-N -2 3 357.775 1.618 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3F)C2)cc1C(=O)[O-] ZINC000833028903 601594631 /nfs/dbraw/zinc/59/46/31/601594631.db2.gz SRMKAAQHLMNDAJ-JTQLQIEISA-N -2 3 369.374 1.378 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCCC2)ccc1F ZINC000831029572 601649148 /nfs/dbraw/zinc/64/91/48/601649148.db2.gz WRRRRNSCTWGORN-UHFFFAOYSA-N -2 3 358.391 1.109 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000827553880 601785776 /nfs/dbraw/zinc/78/57/76/601785776.db2.gz RDNNULCDVBDFQC-PWSUYJOCSA-N -2 3 368.415 1.469 20 0 FDADHL COC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000328520493 601805457 /nfs/dbraw/zinc/80/54/57/601805457.db2.gz GRHMPHVFMKAGSQ-SECBINFHSA-N -2 3 358.235 1.279 20 0 FDADHL O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000833145269 601860862 /nfs/dbraw/zinc/86/08/62/601860862.db2.gz HOHQLWMWVXCKHZ-UHFFFAOYSA-N -2 3 350.277 1.624 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)c1-c1nnn[n-]1 ZINC000826303852 607534404 /nfs/dbraw/zinc/53/44/04/607534404.db2.gz ITPNOQHFXIVCNC-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)c1-c1nn[n-]n1 ZINC000826303852 607534406 /nfs/dbraw/zinc/53/44/06/607534406.db2.gz ITPNOQHFXIVCNC-UHFFFAOYSA-N -2 3 370.394 1.219 20 0 FDADHL CCc1ncsc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825755377 607537570 /nfs/dbraw/zinc/53/75/70/607537570.db2.gz WKUQQPQVOPPEJQ-UHFFFAOYSA-N -2 3 350.429 1.995 20 0 FDADHL CCc1ncsc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825755377 607537573 /nfs/dbraw/zinc/53/75/73/607537573.db2.gz WKUQQPQVOPPEJQ-UHFFFAOYSA-N -2 3 350.429 1.995 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740247763 601993085 /nfs/dbraw/zinc/99/30/85/601993085.db2.gz YIOQJQMNWPABKB-WCBMZHEXSA-N -2 3 364.855 1.439 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CCCO1 ZINC000055313503 602142551 /nfs/dbraw/zinc/14/25/51/602142551.db2.gz WIHCSUOIBHWUFF-RNFRBKRXSA-N -2 3 368.205 1.586 20 0 FDADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169158968 602156558 /nfs/dbraw/zinc/15/65/58/602156558.db2.gz FMQJDHUILQAOKN-YFKPBYRVSA-N -2 3 358.235 1.770 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC(=O)OCc2ccccc2)o1 ZINC000833100206 602214855 /nfs/dbraw/zinc/21/48/55/602214855.db2.gz CMZSLRSYZCPRNW-UHFFFAOYSA-N -2 3 353.352 1.390 20 0 FDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000677235105 602322932 /nfs/dbraw/zinc/32/29/32/602322932.db2.gz ZREOOILVJYEWQR-UHFFFAOYSA-N -3 3 369.326 1.788 20 0 FDADHL COc1ccc(C(=O)[N-]C(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739882041 602385709 /nfs/dbraw/zinc/38/57/09/602385709.db2.gz HTIKGVRAHZFLRO-UHFFFAOYSA-N -2 3 363.414 1.273 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c1F ZINC000833294469 602401810 /nfs/dbraw/zinc/40/18/10/602401810.db2.gz UCXZVQJIBLIGIE-UHFFFAOYSA-N -2 3 367.333 1.789 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@H]1CCN(C(=O)[O-])C1 ZINC000739784041 602454998 /nfs/dbraw/zinc/45/49/98/602454998.db2.gz IKACEDDPKWUCSP-JTQLQIEISA-N -2 3 374.390 1.281 20 0 FDADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000740506223 602568655 /nfs/dbraw/zinc/56/86/55/602568655.db2.gz ILMFXOLYTOOJAJ-MRVPVSSYSA-N -2 3 367.196 1.619 20 0 FDADHL CN(CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000739698597 602733563 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361.398 1.255 20 0 FDADHL O=C([O-])Nc1ccc(CCNC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000740017433 603458700 /nfs/dbraw/zinc/45/87/00/603458700.db2.gz NUOLIXPAMRAQPS-UHFFFAOYSA-N -2 3 357.366 1.571 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)OC[C@H]2CCN(C(=O)[O-])C2)c([O-])c1 ZINC000830216566 603801162 /nfs/dbraw/zinc/80/11/62/603801162.db2.gz JABJTOPCTQRMFN-LBPRGKRZSA-N -2 3 350.371 1.364 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c([O-])c1 ZINC000830217418 603911018 /nfs/dbraw/zinc/91/10/18/603911018.db2.gz WHGRZXCOOXGBML-TZMCWYRMSA-N -2 3 363.414 1.373 20 0 FDADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000825235217 604063253 /nfs/dbraw/zinc/06/32/53/604063253.db2.gz DBYSHRJBBHSIIB-NXEZZACHSA-N -2 3 360.370 1.470 20 0 FDADHL O=C([O-])N1CC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831715244 604273170 /nfs/dbraw/zinc/27/31/70/604273170.db2.gz PBKSPZMTYJSPHG-VIFPVBQESA-N -2 3 358.192 1.706 20 0 FDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)cc1C(=O)[O-] ZINC000833027467 604365506 /nfs/dbraw/zinc/36/55/06/604365506.db2.gz FQVBYQSQFWPHHT-YGRLFVJLSA-N -2 3 361.441 1.619 20 0 FDADHL CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000830379303 604433289 /nfs/dbraw/zinc/43/32/89/604433289.db2.gz QQCXOVNQCUPJBC-GFCCVEGCSA-N -2 3 361.416 1.547 20 0 FDADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000832341560 604551752 /nfs/dbraw/zinc/55/17/52/604551752.db2.gz UGJNUEMHDKALLZ-CABCVRRESA-N -2 3 361.398 1.113 20 0 FDADHL CN1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833697548 604706833 /nfs/dbraw/zinc/70/68/33/604706833.db2.gz GCAUPYBUOPQZBH-FZMZJTMJSA-N -2 3 367.452 1.565 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ncc2C)c(OC)c1C(=O)[O-] ZINC000833734478 604861830 /nfs/dbraw/zinc/86/18/30/604861830.db2.gz GQRUIUTYCJDROZ-UHFFFAOYSA-N -2 3 366.395 1.637 20 0 FDADHL CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000827747533 604921226 /nfs/dbraw/zinc/92/12/26/604921226.db2.gz YLUAUWQPUVNOES-TZMCWYRMSA-N -2 3 361.398 1.208 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)o1 ZINC000833751517 605010308 /nfs/dbraw/zinc/01/03/08/605010308.db2.gz KMQUMNSJYOQUKP-SNVBAGLBSA-N -2 3 370.408 1.432 20 0 FDADHL CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000777375253 605022678 /nfs/dbraw/zinc/02/26/78/605022678.db2.gz PXYLIAUHWAEMOX-GFCCVEGCSA-N -2 3 358.391 1.250 20 0 FDADHL CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000833506948 605036108 /nfs/dbraw/zinc/03/61/08/605036108.db2.gz NPOCLQTWGGBBST-ZDUSSCGKSA-N -2 3 369.395 1.777 20 0 FDADHL C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833550621 605036517 /nfs/dbraw/zinc/03/65/17/605036517.db2.gz XUZMWOBOINRKKO-KOLCDFICSA-N -2 3 356.425 1.284 20 0 FDADHL C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000393544893 605212283 /nfs/dbraw/zinc/21/22/83/605212283.db2.gz COCBYPRDBHSSFN-MRVPVSSYSA-N -2 3 351.371 1.738 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829691783 605417074 /nfs/dbraw/zinc/41/70/74/605417074.db2.gz RICHHHHEFNGYBP-JTQLQIEISA-N -2 3 373.456 1.482 20 0 FDADHL O=C([O-])N[C@H](CC(=O)N1CCc2nc[n-]c(=O)c2C1)Cc1ccccc1 ZINC000834122058 605833713 /nfs/dbraw/zinc/83/37/13/605833713.db2.gz JJSIVGWDJBVLFO-ZDUSSCGKSA-N -2 3 356.382 1.336 20 0 FDADHL O=C([O-])N[C@@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1cccc(Cl)c1 ZINC000834119168 605840248 /nfs/dbraw/zinc/84/02/48/605840248.db2.gz AICLZPAZCRHYNQ-CYBMUJFWSA-N -2 3 362.773 1.729 20 0 FDADHL O=C([O-])N1CCC2(CCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)CC1 ZINC000834018706 605874722 /nfs/dbraw/zinc/87/47/22/605874722.db2.gz LNUQMFGLELYISX-UHFFFAOYSA-N -2 3 361.398 1.115 20 0 FDADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1ncccc1[O-] ZINC000822009661 606194031 /nfs/dbraw/zinc/19/40/31/606194031.db2.gz ASMJCDZIICOXCX-UHFFFAOYSA-N -2 3 355.358 1.256 20 0 FDADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ncccc1[O-] ZINC000822009661 606194033 /nfs/dbraw/zinc/19/40/33/606194033.db2.gz ASMJCDZIICOXCX-UHFFFAOYSA-N -2 3 355.358 1.256 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000821418283 606395988 /nfs/dbraw/zinc/39/59/88/606395988.db2.gz YSFBCMOTDXJEBQ-UHFFFAOYSA-N -2 3 355.420 1.432 20 0 FDADHL O=C([N-]S(=O)(=O)CCc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285467 606465309 /nfs/dbraw/zinc/46/53/09/606465309.db2.gz UDYYBKIYRGWMBY-UHFFFAOYSA-N -2 3 363.424 1.231 20 0 FDADHL O=C([N-]S(=O)(=O)CCc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285467 606465311 /nfs/dbraw/zinc/46/53/11/606465311.db2.gz UDYYBKIYRGWMBY-UHFFFAOYSA-N -2 3 363.424 1.231 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1CC(F)(F)C1 ZINC000822222801 606626974 /nfs/dbraw/zinc/62/69/74/606626974.db2.gz UFDXIPBHGHUYLA-UHFFFAOYSA-N -2 3 357.342 1.025 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1CC(F)(F)C1 ZINC000822222801 606626972 /nfs/dbraw/zinc/62/69/72/606626972.db2.gz UFDXIPBHGHUYLA-UHFFFAOYSA-N -2 3 357.342 1.025 20 0 FDADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820882630 606710705 /nfs/dbraw/zinc/71/07/05/606710705.db2.gz VXAJWBFMFRSVNO-SNVBAGLBSA-N -2 3 361.431 1.915 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823284487 606736971 /nfs/dbraw/zinc/73/69/71/606736971.db2.gz IDONEPKRTKZSRK-UHFFFAOYSA-N -2 3 372.772 1.707 20 0 FDADHL O=C([N-]OCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823284487 606736973 /nfs/dbraw/zinc/73/69/73/606736973.db2.gz IDONEPKRTKZSRK-UHFFFAOYSA-N -2 3 372.772 1.707 20 0 FDADHL O=S(=O)([N-]c1cc(-c2cccnc2)[nH]n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823582796 606751624 /nfs/dbraw/zinc/75/16/24/606751624.db2.gz ARFAAJMVDCZSLW-UHFFFAOYSA-N -2 3 368.382 1.453 20 0 FDADHL Cc1cccnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822369928 606891129 /nfs/dbraw/zinc/89/11/29/606891129.db2.gz PKYCSIIJJSYBPE-UHFFFAOYSA-N -2 3 366.353 1.327 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588882 606980838 /nfs/dbraw/zinc/98/08/38/606980838.db2.gz DRTFRRPFTDUPAI-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL O=S(=O)([N-]c1ccc(F)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588882 606980839 /nfs/dbraw/zinc/98/08/39/606980839.db2.gz DRTFRRPFTDUPAI-UHFFFAOYSA-N -2 3 356.289 1.480 20 0 FDADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822604531 607001260 /nfs/dbraw/zinc/00/12/60/607001260.db2.gz GVXNHIKBZBMAPF-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822604531 607001262 /nfs/dbraw/zinc/00/12/62/607001262.db2.gz GVXNHIKBZBMAPF-UHFFFAOYSA-N -2 3 374.213 1.708 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450606 607776857 /nfs/dbraw/zinc/77/68/57/607776857.db2.gz UEKRJQVHUPXYJA-UHFFFAOYSA-N -2 3 368.378 1.467 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450606 607776858 /nfs/dbraw/zinc/77/68/58/607776858.db2.gz UEKRJQVHUPXYJA-UHFFFAOYSA-N -2 3 368.378 1.467 20 0 FDADHL O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826462090 607933495 /nfs/dbraw/zinc/93/34/95/607933495.db2.gz OBQXATKNSGIRGA-UHFFFAOYSA-N -2 3 371.378 1.316 20 0 FDADHL O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826462090 607933496 /nfs/dbraw/zinc/93/34/96/607933496.db2.gz OBQXATKNSGIRGA-UHFFFAOYSA-N -2 3 371.378 1.316 20 0 FDADHL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000826366693 607983161 /nfs/dbraw/zinc/98/31/61/607983161.db2.gz UHRDHPZZZPRVHV-UHFFFAOYSA-N -2 3 355.330 1.339 20 0 FDADHL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000826366693 607983162 /nfs/dbraw/zinc/98/31/62/607983162.db2.gz UHRDHPZZZPRVHV-UHFFFAOYSA-N -2 3 355.330 1.339 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000826279209 608011514 /nfs/dbraw/zinc/01/15/14/608011514.db2.gz JAJQKYOPAGAFOI-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000826279209 608011515 /nfs/dbraw/zinc/01/15/15/608011515.db2.gz JAJQKYOPAGAFOI-UHFFFAOYSA-N -2 3 353.404 1.097 20 0 FDADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1-c1nnn[n-]1 ZINC000826302446 608011701 /nfs/dbraw/zinc/01/17/01/608011701.db2.gz JUIYKGZHBFXRIO-UHFFFAOYSA-N -2 3 365.415 1.241 20 0 FDADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1-c1nn[n-]n1 ZINC000826302446 608011702 /nfs/dbraw/zinc/01/17/02/608011702.db2.gz JUIYKGZHBFXRIO-UHFFFAOYSA-N -2 3 365.415 1.241 20 0 FDADHL Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826322590 608057654 /nfs/dbraw/zinc/05/76/54/608057654.db2.gz STIGSYUAYNBQSV-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826322590 608057655 /nfs/dbraw/zinc/05/76/55/608057655.db2.gz STIGSYUAYNBQSV-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825095857 608075709 /nfs/dbraw/zinc/07/57/09/608075709.db2.gz JGPMWLNKKIHXGX-SNVBAGLBSA-N -2 3 351.432 1.744 20 0 FDADHL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825095857 608075710 /nfs/dbraw/zinc/07/57/10/608075710.db2.gz JGPMWLNKKIHXGX-SNVBAGLBSA-N -2 3 351.432 1.744 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826315784 608141354 /nfs/dbraw/zinc/14/13/54/608141354.db2.gz TZEADOLUWOWJLP-WAYWQWQTSA-N -2 3 370.394 1.088 20 0 FDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315784 608141355 /nfs/dbraw/zinc/14/13/55/608141355.db2.gz TZEADOLUWOWJLP-WAYWQWQTSA-N -2 3 370.394 1.088 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C12CCC(CC1)C2 ZINC000826450153 608141459 /nfs/dbraw/zinc/14/14/59/608141459.db2.gz YZOBRIGCUPTTIO-UHFFFAOYSA-N -2 3 361.427 1.393 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C12CCC(CC1)C2 ZINC000826450153 608141460 /nfs/dbraw/zinc/14/14/60/608141460.db2.gz YZOBRIGCUPTTIO-UHFFFAOYSA-N -2 3 361.427 1.393 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826225542 608331854 /nfs/dbraw/zinc/33/18/54/608331854.db2.gz DWACQZLVOASFLK-SNVBAGLBSA-N -2 3 369.472 1.512 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826225542 608331856 /nfs/dbraw/zinc/33/18/56/608331856.db2.gz DWACQZLVOASFLK-SNVBAGLBSA-N -2 3 369.472 1.512 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825049805 609139367 /nfs/dbraw/zinc/13/93/67/609139367.db2.gz DXSGXUAGKXWXEM-QWRGUYRKSA-N -2 3 351.432 1.495 20 0 FDADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825049805 609139368 /nfs/dbraw/zinc/13/93/68/609139368.db2.gz DXSGXUAGKXWXEM-QWRGUYRKSA-N -2 3 351.432 1.495 20 0 FDADHL CCc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000825750582 609340996 /nfs/dbraw/zinc/34/09/96/609340996.db2.gz TXHYTJPYHGAMHU-UHFFFAOYSA-N -2 3 355.767 1.266 20 0 FDADHL CCc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000825750582 609340998 /nfs/dbraw/zinc/34/09/98/609340998.db2.gz TXHYTJPYHGAMHU-UHFFFAOYSA-N -2 3 355.767 1.266 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000826256116 609382954 /nfs/dbraw/zinc/38/29/54/609382954.db2.gz VOAASMSGEUCAQT-UHFFFAOYSA-N -2 3 359.415 1.437 20 0 FDADHL CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825663397 609386415 /nfs/dbraw/zinc/38/64/15/609386415.db2.gz NFSIGIYKCVGQRT-UHFFFAOYSA-N -2 3 373.394 1.739 20 0 FDADHL CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825663397 609386418 /nfs/dbraw/zinc/38/64/18/609386418.db2.gz NFSIGIYKCVGQRT-UHFFFAOYSA-N -2 3 373.394 1.739 20 0 FDADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826339562 609529231 /nfs/dbraw/zinc/52/92/31/609529231.db2.gz JRVHZNCQPOBJIM-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826339562 609529233 /nfs/dbraw/zinc/52/92/33/609529233.db2.gz JRVHZNCQPOBJIM-UHFFFAOYSA-N -2 3 354.779 1.926 20 0 FDADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276952753 674817225 /nfs/dbraw/zinc/81/72/25/674817225.db2.gz ULTGMDKCBCPCEH-CDUCUWFYSA-N -2 3 372.624 1.215 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-]CCCC(=O)[O-])c(C)c1Cl ZINC000278787853 675196449 /nfs/dbraw/zinc/19/64/49/675196449.db2.gz UUVOHBVMAHWQAG-UHFFFAOYSA-N -2 3 355.821 1.640 20 0 FDADHL COc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(Br)c1[O-] ZINC000254440256 672604162 /nfs/dbraw/zinc/60/41/62/672604162.db2.gz BFQPQKBDPXVOSS-UHFFFAOYSA-N -2 3 354.164 1.808 20 0 FDADHL COCc1nc(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cs1 ZINC000290607767 676217372 /nfs/dbraw/zinc/21/73/72/676217372.db2.gz JFRZQEZCCIRQSL-UHFFFAOYSA-N -2 3 374.415 1.914 20 0 FDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000290734809 676227881 /nfs/dbraw/zinc/22/78/81/676227881.db2.gz WNLMBJXLHVXBFF-UHFFFAOYSA-N -2 3 361.832 1.931 20 0 FDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000282286664 675618804 /nfs/dbraw/zinc/61/88/04/675618804.db2.gz VNZQLMUABAVSAE-SSDOTTSWSA-N -2 3 352.206 1.924 20 0 FDADHL COc1ncccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000326188711 676580960 /nfs/dbraw/zinc/58/09/60/676580960.db2.gz VHQQBSRPXYZMQV-UHFFFAOYSA-N -2 3 358.322 1.545 20 0 FDADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000327306552 676591176 /nfs/dbraw/zinc/59/11/76/676591176.db2.gz SNMXQFXELQPVFQ-UHFFFAOYSA-N -2 3 364.379 1.559 20 0 FDADHL Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cc2)n1 ZINC000361418951 676893678 /nfs/dbraw/zinc/89/36/78/676893678.db2.gz WGTSBWQSZSELTH-ZDUSSCGKSA-N -2 3 365.411 1.706 20 0 FDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(-c2nn(C)cc2C(=O)[O-])cc1 ZINC000370285716 677561088 /nfs/dbraw/zinc/56/10/88/677561088.db2.gz PIPAEYPHOPKMMY-JTQLQIEISA-N -2 3 353.400 1.562 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C(N)=O ZINC000433500512 681196851 /nfs/dbraw/zinc/19/68/51/681196851.db2.gz IPCYFRHCUPHHIM-UHFFFAOYSA-N -3 3 350.352 1.299 20 0 FDADHL O=C(NCCN1c2ccccc2[N-]S1(=O)=O)c1cc(Cl)ccc1[O-] ZINC000436989231 681752194 /nfs/dbraw/zinc/75/21/94/681752194.db2.gz ZOTHOMDCFOLQQB-UHFFFAOYSA-N -2 3 367.814 1.952 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000484556652 686604679 /nfs/dbraw/zinc/60/46/79/686604679.db2.gz MYFBHCWXHKWJCG-UHFFFAOYSA-N -2 3 368.367 1.397 20 0 FDADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cnn(CC(F)F)c1 ZINC000488438662 687043247 /nfs/dbraw/zinc/04/32/47/687043247.db2.gz MNBXTPDPQSIJCN-UHFFFAOYSA-N -2 3 355.330 1.129 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000520321629 690308282 /nfs/dbraw/zinc/30/82/82/690308282.db2.gz OSXGKSPDGKKWQD-JTQLQIEISA-N -2 3 370.408 1.076 20 0 FDADHL COCCOCCOCCS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641687375 696201355 /nfs/dbraw/zinc/20/13/55/696201355.db2.gz PWHMWISPUFTCSF-UHFFFAOYSA-N -2 3 353.824 1.467 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656623437 777013639 /nfs/dbraw/zinc/01/36/39/777013639.db2.gz RSUYZYLOTMDUTB-CABZTGNLSA-N -2 3 363.819 1.831 20 0 FDADHL CCc1c(C(=O)N=c2ccc([O-])n[n-]2)nnn1-c1ccc(OC(C)C)cc1 ZINC000648359346 789056211 /nfs/dbraw/zinc/05/62/11/789056211.db2.gz BOWUTSWBQBSSCE-UHFFFAOYSA-N -2 3 368.397 1.787 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([O-])c1 ZINC000647659651 789386751 /nfs/dbraw/zinc/38/67/51/789386751.db2.gz MMFGMPXMKIHGBR-LBPRGKRZSA-N -2 3 374.397 1.315 20 0 FDADHL CCc1nc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cn1CC1CC1 ZINC000663287026 806333519 /nfs/dbraw/zinc/33/35/19/806333519.db2.gz VNJPFXLBDBNPAJ-VIFPVBQESA-N -2 3 369.365 1.539 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c(-c2ccccc2)s1 ZINC000663287639 806335755 /nfs/dbraw/zinc/33/57/55/806335755.db2.gz RSQGUXWYIFZJCX-GZMMTYOYSA-N -2 3 356.425 1.231 20 0 FDADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])c1[O-] ZINC000976298856 803171081 /nfs/dbraw/zinc/17/10/81/803171081.db2.gz BLCUYZSJZNXFBX-CHWSQXEVSA-N -2 3 358.398 1.600 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000512976363 810470072 /nfs/dbraw/zinc/47/00/72/810470072.db2.gz VWEQNXPMQWNNNW-OAHLLOKOSA-N -2 3 362.345 1.548 20 0 FDADHL CCC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1nnn[n-]1 ZINC000434786435 815781932 /nfs/dbraw/zinc/78/19/32/815781932.db2.gz ONPNIVUKGIQLKZ-CYBMUJFWSA-N -2 3 368.401 1.266 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cnc1C ZINC000427215909 818755665 /nfs/dbraw/zinc/75/56/65/818755665.db2.gz BFMGQXWSOGFZOQ-UHFFFAOYSA-N -2 3 374.382 1.158 20 0 FDADHL CN(C)c1nc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc(=O)[n-]1 ZINC000455782567 838518450 /nfs/dbraw/zinc/51/84/50/838518450.db2.gz HHTMMNJZZWBDPZ-ZDUSSCGKSA-N -2 3 358.398 1.454 20 0 FDADHL Cc1cncn1C1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000476780746 842149553 /nfs/dbraw/zinc/14/95/53/842149553.db2.gz SRQFTJHBYDTYJU-UHFFFAOYSA-N -2 3 368.397 1.727 20 0 FDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)[n-]1 ZINC000460533996 842219050 /nfs/dbraw/zinc/21/90/50/842219050.db2.gz QLXMNGKPQPWRCW-UHFFFAOYSA-N -2 3 372.406 1.988 20 0 FDADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000910595035 857386232 /nfs/dbraw/zinc/38/62/32/857386232.db2.gz JKBKHKQXFKVYAY-VXNVDRBHSA-N -2 3 365.183 1.741 20 0 FDADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)c1 ZINC000920758356 887228046 /nfs/dbraw/zinc/22/80/46/887228046.db2.gz VYPXNDHNPMISIC-UHFFFAOYSA-N -2 3 352.372 1.111 20 0 FDADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000923135863 888142732 /nfs/dbraw/zinc/14/27/32/888142732.db2.gz VXRZMXXNZRVTQB-SCZZXKLOSA-N -2 3 365.183 1.884 20 0 FDADHL CC[C@@]1(C(=O)[O-])CCCN(CC(=O)N=c2cc(C(C)(C)C)[n-]n2C)C1 ZINC000923469292 889375033 /nfs/dbraw/zinc/37/50/33/889375033.db2.gz BWVUODKBIZLTMQ-GOSISDBHSA-N -2 3 350.463 1.655 20 0 FDADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000656163822 898845717 /nfs/dbraw/zinc/84/57/17/898845717.db2.gz BJJQUYYFIVHGFC-LURJTMIESA-N -2 3 363.260 1.815 20 0 FDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000785706104 931577614 /nfs/dbraw/zinc/57/76/14/931577614.db2.gz VUMRWCCIZGFYMT-UHFFFAOYSA-N -2 3 355.759 1.757 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)cc3)nc2)c1 ZINC000788130540 932566518 /nfs/dbraw/zinc/56/65/18/932566518.db2.gz HEAJQJDMYGNGAC-UHFFFAOYSA-N -2 3 373.390 1.748 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788441460 932694058 /nfs/dbraw/zinc/69/40/58/932694058.db2.gz KCKGXFMXIRFTHH-ZETCQYMHSA-N -2 3 369.848 1.886 20 0 FDADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000820187426 945367003 /nfs/dbraw/zinc/36/70/03/945367003.db2.gz AKEXGIABNDLAFA-UHFFFAOYSA-N -2 3 352.351 1.918 20 0 FDADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000820187426 945367014 /nfs/dbraw/zinc/36/70/14/945367014.db2.gz AKEXGIABNDLAFA-UHFFFAOYSA-N -2 3 352.351 1.918 20 0 FDADHL 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356.382 1.588 20 0 FDADHL CC(C)[C@@H](C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001588804810 961470659 /nfs/dbraw/zinc/47/06/59/961470659.db2.gz KQXKPFRWEYVSQI-SNVBAGLBSA-N -2 3 368.864 1.153 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])C1(c2ccc(Cl)cc2)CC(O)C1 ZINC001182948730 962674705 /nfs/dbraw/zinc/67/47/05/962674705.db2.gz NKJPMSZGUWXPHO-UHFFFAOYSA-N -2 3 361.762 1.807 20 0 FDADHL O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001183660902 963234405 /nfs/dbraw/zinc/23/44/05/963234405.db2.gz KPWQRUPAIWWBAE-UHFFFAOYSA-N -2 3 352.372 1.625 20 0 FDADHL O=C(CCc1nc(-c2ccccn2)no1)NCCCCP(=O)([O-])[O-] ZINC001177193846 963719922 /nfs/dbraw/zinc/71/99/22/963719922.db2.gz QGWLTEPENDNRRX-UHFFFAOYSA-N -2 3 354.303 1.138 20 0 FDADHL CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185568762 963981918 /nfs/dbraw/zinc/98/19/18/963981918.db2.gz YAUBHTXBWDTMQL-UHFFFAOYSA-N -2 3 374.382 1.239 20 0 FDADHL CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185568762 963981920 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COc1ccc(-n2cc(C(=O)NCCCCP(=O)([O-])[O-])cn2)cc1 ZINC001189734655 967241334 /nfs/dbraw/zinc/24/13/34/967241334.db2.gz HEBKLMHHTCUQQM-UHFFFAOYSA-N -2 3 353.315 1.569 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H](O)c1ccccc1 ZINC000776597664 967367054 /nfs/dbraw/zinc/36/70/54/967367054.db2.gz MWHMSWAZEZPQKU-KGLIPLIRSA-N -2 3 357.334 1.430 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c1F ZINC000776613371 967469284 /nfs/dbraw/zinc/46/92/84/967469284.db2.gz IVLXUYSIYGLCIA-GFCCVEGCSA-N -2 3 363.338 1.283 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)CC(=O)[O-] ZINC000776626581 967696298 /nfs/dbraw/zinc/69/62/98/967696298.db2.gz AXCJBXLQZJDNPX-QMMMGPOBSA-N -2 3 365.354 1.531 20 0 FDADHL CC(C)OC(=O)Nc1cc(C(=O)NCCCCP(=O)([O-])[O-])n(C)c1 ZINC001190880728 968154196 /nfs/dbraw/zinc/15/41/96/968154196.db2.gz OFRRZAAMRQHKGP-UHFFFAOYSA-N -2 3 361.335 1.670 20 0 FDADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cnc(SC)[n-]c1=O ZINC001191438074 968514915 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COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547897267 542481062 /nfs/dbraw/zinc/48/10/62/542481062.db2.gz XKGIRQDLOJAKLJ-QMMMGPOBSA-N -2 3 372.624 1.480 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000547901066 542482437 /nfs/dbraw/zinc/48/24/37/542482437.db2.gz JGNKMTLXMVOIQC-JTQLQIEISA-N -2 3 361.391 1.924 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000547917967 542487618 /nfs/dbraw/zinc/48/76/18/542487618.db2.gz DCGVJYHTPWJAKP-QMJPPLBSSA-N -2 3 353.444 1.666 20 0 FDADHL C[C@@](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)(CC(=O)[O-])C(=O)[O-] ZINC000547937959 542493896 /nfs/dbraw/zinc/49/38/96/542493896.db2.gz SOQVCSDIEPTZFP-LBPRGKRZSA-N -3 3 370.210 1.837 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000548196850 542581438 /nfs/dbraw/zinc/58/14/38/542581438.db2.gz VZMQDLIRKZTOHP-MRVPVSSYSA-N -2 3 362.410 1.095 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC000548200270 542582794 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1.327 20 0 FDADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824884812 608154715 /nfs/dbraw/zinc/15/47/15/608154715.db2.gz PPLAWWRADFOXTC-BDAKNGLRSA-N -2 3 373.385 1.238 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccn1C(C)C ZINC000826279632 608186066 /nfs/dbraw/zinc/18/60/66/608186066.db2.gz WUYMQZFMFGYELE-UHFFFAOYSA-N -2 3 374.426 1.676 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccn1C(C)C ZINC000826279632 608186068 /nfs/dbraw/zinc/18/60/68/608186068.db2.gz WUYMQZFMFGYELE-UHFFFAOYSA-N -2 3 374.426 1.676 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)=C1CCCC1 ZINC000824045245 608246798 /nfs/dbraw/zinc/24/67/98/608246798.db2.gz JWUIPIRBIXDNPB-UHFFFAOYSA-N -2 3 361.427 1.703 20 0 FDADHL CC(C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)=C1CCCC1 ZINC000824045245 608246799 /nfs/dbraw/zinc/24/67/99/608246799.db2.gz JWUIPIRBIXDNPB-UHFFFAOYSA-N -2 3 361.427 1.703 20 0 FDADHL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825762661 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RQJXZDJHVNQNPN-GGZOMVNGSA-N -2 3 373.452 1.691 20 0 FDADHL O=C([O-])CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000580390165 550977016 /nfs/dbraw/zinc/97/70/16/550977016.db2.gz JLRNCTLIDFZIAD-UHFFFAOYSA-N -2 3 371.324 1.828 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000580751754 551014471 /nfs/dbraw/zinc/01/44/71/551014471.db2.gz QBQGDOUJEZKYLU-CQSZACIVSA-N -2 3 351.428 1.686 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000580917101 551032610 /nfs/dbraw/zinc/03/26/10/551032610.db2.gz QQEGRVIMVRAHIC-SSDOTTSWSA-N -2 3 369.317 1.247 20 0 FDADHL Cn1ccc(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000581724306 551127854 /nfs/dbraw/zinc/12/78/54/551127854.db2.gz WWECXSHOEMNNJH-UHFFFAOYSA-N -2 3 353.400 1.142 20 0 FDADHL Cc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000583101365 551303727 /nfs/dbraw/zinc/30/37/27/551303727.db2.gz WDLJIXPRXYATEB-COPLHBTASA-N -2 3 371.441 1.547 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@H](CC)C(=O)[O-])c1 ZINC000584276487 551473082 /nfs/dbraw/zinc/47/30/82/551473082.db2.gz SDUPCAVSDQQUFU-JTQLQIEISA-N -2 3 361.391 1.782 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c[n-]1 ZINC000585730466 551588853 /nfs/dbraw/zinc/58/88/53/551588853.db2.gz SLXQZKWYGBBCQS-UHFFFAOYSA-N -2 3 367.309 1.146 20 0 FDADHL C[C@]1(c2ccc(CN=c3[n-]c(-c4ccccc4)no3)cc2)NC(=O)[N-]C1=O ZINC000588163077 551654427 /nfs/dbraw/zinc/65/44/27/551654427.db2.gz MIFFCMYUYZNYAH-LJQANCHMSA-N -2 3 363.377 1.825 20 0 FDADHL COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)no1 ZINC000589550589 551735696 /nfs/dbraw/zinc/73/56/96/551735696.db2.gz LWHHHSBHYNPDDQ-UHFFFAOYSA-N -2 3 374.396 1.435 20 0 FDADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000590501063 551787793 /nfs/dbraw/zinc/78/77/93/551787793.db2.gz VZAMCXGYOSIHFT-UHFFFAOYSA-N -2 3 358.383 1.561 20 0 FDADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000590501063 551787795 /nfs/dbraw/zinc/78/77/95/551787795.db2.gz VZAMCXGYOSIHFT-UHFFFAOYSA-N -2 3 358.383 1.561 20 0 FDADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CC(C)(C)OC)c1[O-] ZINC000591258156 551854274 /nfs/dbraw/zinc/85/42/74/551854274.db2.gz SHLSIXAGMVZPFR-UHFFFAOYSA-N -2 3 351.808 1.999 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])oc1C ZINC000592449336 551997502 /nfs/dbraw/zinc/99/75/02/551997502.db2.gz UPZXHTZACGHURK-MRVPVSSYSA-N -2 3 365.429 1.107 20 0 FDADHL CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000599616396 553104332 /nfs/dbraw/zinc/10/43/32/553104332.db2.gz GKJBIOUINOBCSQ-VHSXEESVSA-N -2 3 368.411 1.433 20 0 FDADHL Cc1cc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614092762 555008517 /nfs/dbraw/zinc/00/85/17/555008517.db2.gz GWUKLVRSITXFML-PWSUYJOCSA-N -2 3 361.377 1.003 20 0 FDADHL C[C@]1(C[C@@H]2CCCN2C(=O)c2ncc3ccccc3c2[O-])NC(=O)[N-]C1=O ZINC000614730829 555103543 /nfs/dbraw/zinc/10/35/43/555103543.db2.gz WITIMKKEALRQSF-HXPMCKFVSA-N -2 3 368.393 1.533 20 0 FDADHL C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823813 555122645 /nfs/dbraw/zinc/12/26/45/555122645.db2.gz GYWZUSOGXMFQSV-UWVGGRQHSA-N -2 3 371.397 1.553 20 0 FDADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)C(=O)[O-])CCC1 ZINC000629305686 557758121 /nfs/dbraw/zinc/75/81/21/557758121.db2.gz PUCZRWYITPNBOQ-JTQLQIEISA-N -2 3 363.382 1.964 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c(C)o1 ZINC000630246778 557891381 /nfs/dbraw/zinc/89/13/81/557891381.db2.gz AMHFFFBVMVMDDC-INIZCTEOSA-N -2 3 372.443 1.650 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630284879 557895014 /nfs/dbraw/zinc/89/50/14/557895014.db2.gz YOEQPKXOTNWJMB-QLFBSQMISA-N -2 3 366.439 1.774 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000630422725 557907903 /nfs/dbraw/zinc/90/79/03/557907903.db2.gz NJMRJHSSHDYJIM-KOLCDFICSA-N -2 3 354.211 1.904 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCCO2)c(Cl)cc1F ZINC000630421816 557907976 /nfs/dbraw/zinc/90/79/76/557907976.db2.gz IIYKAWFQTWNTMM-JQWIXIFHSA-N -2 3 351.783 1.698 20 0 FDADHL COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737163742 598843638 /nfs/dbraw/zinc/84/36/38/598843638.db2.gz ZXHYLGMUEFLNSX-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737163742 598843640 /nfs/dbraw/zinc/84/36/40/598843640.db2.gz ZXHYLGMUEFLNSX-UHFFFAOYSA-N -2 3 350.335 1.210 20 0 FDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736352176 598857956 /nfs/dbraw/zinc/85/79/56/598857956.db2.gz XAEKSMZWFKUZLP-SNVBAGLBSA-N -2 3 367.431 1.269 20 0 FDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736352176 598857957 /nfs/dbraw/zinc/85/79/57/598857957.db2.gz XAEKSMZWFKUZLP-SNVBAGLBSA-N -2 3 367.431 1.269 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n(C)n1 ZINC000737279502 598891008 /nfs/dbraw/zinc/89/10/08/598891008.db2.gz DRRHAPDHOUBUIS-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1n[nH]c(=O)[n-]1 ZINC000738112736 598892820 /nfs/dbraw/zinc/89/28/20/598892820.db2.gz RHZIMEAONWZBQU-UHFFFAOYSA-N -2 3 368.382 1.349 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000736676274 598911443 /nfs/dbraw/zinc/91/14/43/598911443.db2.gz DBSYOOHPDUJWTE-UHFFFAOYSA-N -2 3 351.367 1.103 20 0 FDADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000736676274 598911444 /nfs/dbraw/zinc/91/14/44/598911444.db2.gz DBSYOOHPDUJWTE-UHFFFAOYSA-N -2 3 351.367 1.103 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000737223715 598947349 /nfs/dbraw/zinc/94/73/49/598947349.db2.gz CRLPVONFISDPMA-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000737223715 598947351 /nfs/dbraw/zinc/94/73/51/598947351.db2.gz CRLPVONFISDPMA-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736182464 599220214 /nfs/dbraw/zinc/22/02/14/599220214.db2.gz FXHGQCLQFXEKDX-NSHDSACASA-N -2 3 367.365 1.649 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736182464 599220217 /nfs/dbraw/zinc/22/02/17/599220217.db2.gz FXHGQCLQFXEKDX-NSHDSACASA-N -2 3 367.365 1.649 20 0 FDADHL O=C([O-])[C@@H]1CC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)=NN1c1ccccc1 ZINC000740477315 596966391 /nfs/dbraw/zinc/96/63/91/596966391.db2.gz CTQGJIGMAQDDRC-VIFPVBQESA-N -2 3 368.275 1.482 20 0 FDADHL O=C([O-])[C@@H]1CC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)=NN1c1ccccc1 ZINC000740477315 596966392 /nfs/dbraw/zinc/96/63/92/596966392.db2.gz CTQGJIGMAQDDRC-VIFPVBQESA-N -2 3 368.275 1.482 20 0 FDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC000262359339 598226032 /nfs/dbraw/zinc/22/60/32/598226032.db2.gz CKTOFVCPYLGRNW-UHFFFAOYSA-N -2 3 356.169 1.350 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736331037 598331437 /nfs/dbraw/zinc/33/14/37/598331437.db2.gz HPPHPMPSWBADGC-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736331037 598331438 /nfs/dbraw/zinc/33/14/38/598331438.db2.gz HPPHPMPSWBADGC-NSHDSACASA-N -2 3 351.432 1.744 20 0 FDADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736960147 598381393 /nfs/dbraw/zinc/38/13/93/598381393.db2.gz FLCOJFOHPWKFCB-JTQLQIEISA-N -2 3 360.399 1.770 20 0 FDADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736960147 598381394 /nfs/dbraw/zinc/38/13/94/598381394.db2.gz FLCOJFOHPWKFCB-JTQLQIEISA-N -2 3 360.399 1.770 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccsc1 ZINC000738138992 598415043 /nfs/dbraw/zinc/41/50/43/598415043.db2.gz JPHJMRASSFFYQL-UHFFFAOYSA-N -2 3 369.815 1.700 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccsc1 ZINC000738138992 598415045 /nfs/dbraw/zinc/41/50/45/598415045.db2.gz JPHJMRASSFFYQL-UHFFFAOYSA-N -2 3 369.815 1.700 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736346347 598801705 /nfs/dbraw/zinc/80/17/05/598801705.db2.gz YTDZMCNUEVWWNJ-MDZDMXLPSA-N -2 3 363.443 1.762 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736346347 598801706 /nfs/dbraw/zinc/80/17/06/598801706.db2.gz YTDZMCNUEVWWNJ-MDZDMXLPSA-N -2 3 363.443 1.762 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000486882047 599300923 /nfs/dbraw/zinc/30/09/23/599300923.db2.gz CJQBWGMJXCAKLB-UHFFFAOYSA-N -2 3 365.396 1.516 20 0 FDADHL O=S(=O)([N-]c1cnoc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000738337910 599561118 /nfs/dbraw/zinc/56/11/18/599561118.db2.gz AOXMFUXGYOGGNX-UHFFFAOYSA-N -2 3 360.277 1.674 20 0 FDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820691781 599619806 /nfs/dbraw/zinc/61/98/06/599619806.db2.gz ZJAOUSUOPMOPCD-CMPLNLGQSA-N -2 3 365.415 1.019 20 0 FDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820691781 599619807 /nfs/dbraw/zinc/61/98/07/599619807.db2.gz ZJAOUSUOPMOPCD-CMPLNLGQSA-N -2 3 365.415 1.019 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)o1 ZINC000740175250 599767031 /nfs/dbraw/zinc/76/70/31/599767031.db2.gz HUXZZHCNPKFDNS-LLVKDONJSA-N -2 3 354.384 1.686 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000736606524 599769965 /nfs/dbraw/zinc/76/99/65/599769965.db2.gz GSAMLFOHDYTHDC-LBPRGKRZSA-N -2 3 364.423 1.703 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCOC3=O)c2)o1 ZINC000740176897 599772531 /nfs/dbraw/zinc/77/25/31/599772531.db2.gz XZBMWJJFZYWZTN-UHFFFAOYSA-N -2 3 366.351 1.413 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736271770 599781321 /nfs/dbraw/zinc/78/13/21/599781321.db2.gz CREJXLAMAMIBDF-SNVBAGLBSA-N -2 3 374.415 1.656 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000826249774 607397972 /nfs/dbraw/zinc/39/79/72/607397972.db2.gz UESMWFIBBXWGPR-UHFFFAOYSA-N -2 3 357.395 1.435 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000826249774 607397973 /nfs/dbraw/zinc/39/79/73/607397973.db2.gz UESMWFIBBXWGPR-UHFFFAOYSA-N -2 3 357.395 1.435 20 0 FDADHL CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000485462576 599852694 /nfs/dbraw/zinc/85/26/94/599852694.db2.gz FMPUDNDVJKSBSC-UHFFFAOYSA-N -2 3 366.370 1.783 20 0 FDADHL O=C([O-])C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000263402907 600104927 /nfs/dbraw/zinc/10/49/27/600104927.db2.gz HBBPSSPQOOVCBY-SSDMNJCBSA-N -2 3 360.410 1.756 20 0 FDADHL O=C([O-])[C@H]1CC12CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000739525917 600320148 /nfs/dbraw/zinc/32/01/48/600320148.db2.gz FCFKVSCERPCCKP-CABCVRRESA-N -2 3 372.421 1.710 20 0 FDADHL COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737641968 600446830 /nfs/dbraw/zinc/44/68/30/600446830.db2.gz JVAYAGLJMIGLLZ-UHFFFAOYSA-N -2 3 368.367 1.677 20 0 FDADHL O=C([O-])CCCc1nnc(NC(=O)c2cc3c(cc2[O-])OCO3)s1 ZINC000739712378 600603443 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C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ncc(F)cn1 ZINC001195258578 970798889 /nfs/dbraw/zinc/79/88/89/970798889.db2.gz QOIAMLKLEZPPAZ-ZCFIWIBFSA-N -2 3 361.301 1.632 20 0 FDADHL CCOc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ncn1 ZINC001195263879 970800931 /nfs/dbraw/zinc/80/09/31/970800931.db2.gz MUYVARUBJJULOQ-UHFFFAOYSA-N -2 3 373.337 1.330 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)c2cccc(F)c2)c(F)cc1F ZINC001195264280 970803074 /nfs/dbraw/zinc/80/30/74/970803074.db2.gz UWTOZOYOANJCLN-UHFFFAOYSA-N -2 3 373.308 1.963 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1F ZINC000818325688 943229069 /nfs/dbraw/zinc/22/90/69/943229069.db2.gz OJUAOEICSNCWOJ-ZANVPECISA-N -2 3 358.391 1.059 20 0 FDADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000818329341 943229921 /nfs/dbraw/zinc/22/99/21/943229921.db2.gz VLDSIWIBLTWXCJ-CYBMUJFWSA-N -2 3 350.463 1.797 20 0 FDADHL COC(=O)Cc1nc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[n-]1 ZINC000820797206 944216667 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354.334 1.951 20 0 FDADHL O=C([O-])C1CC2(C1)CC[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)O2 ZINC001594908066 954693511 /nfs/dbraw/zinc/69/35/11/954693511.db2.gz ZDZUEVINWFXROJ-XIRUVYRFSA-N -2 3 360.819 1.426 20 0 FDADHL COC(=O)c1cc2nc(NC(=O)[C@@H](C)C(=O)[O-])[n-]c2c(Br)c1 ZINC001593868154 955605911 /nfs/dbraw/zinc/60/59/11/955605911.db2.gz SLXXZCRQGXTUTQ-RXMQYKEDSA-N -2 3 370.159 1.771 20 0 FDADHL C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)(C(=O)[O-])c1ccccc1 ZINC001589064517 955744730 /nfs/dbraw/zinc/74/47/30/955744730.db2.gz RUPYTBLSRFPEHG-KRWDZBQOSA-N -2 3 352.354 1.034 20 0 FDADHL C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)(C(=O)[O-])c1ccccc1 ZINC001589064517 955744738 /nfs/dbraw/zinc/74/47/38/955744738.db2.gz RUPYTBLSRFPEHG-KRWDZBQOSA-N -2 3 352.354 1.034 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)s1 ZINC001593886428 955753323 /nfs/dbraw/zinc/75/33/23/955753323.db2.gz WDXDMWVSLYTFFX-UHFFFAOYSA-N -2 3 361.441 1.991 20 0 FDADHL COc1cccc(CS(=O)(=O)[N-]c2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001197348217 972202355 /nfs/dbraw/zinc/20/23/55/972202355.db2.gz JOAVZJJMEBAJLB-UHFFFAOYSA-N -2 3 367.387 1.597 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1Br ZINC000036804013 957236199 /nfs/dbraw/zinc/23/61/99/957236199.db2.gz CXFUGRSXTZWCAZ-UHFFFAOYSA-N -2 3 362.123 1.988 20 0 FDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC001605742348 972382291 /nfs/dbraw/zinc/38/22/91/972382291.db2.gz AHBIMZQXJYLKRZ-OCCSQVGLSA-N -2 3 350.338 1.305 20 0 FDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC001605742348 972382297 /nfs/dbraw/zinc/38/22/97/972382297.db2.gz AHBIMZQXJYLKRZ-OCCSQVGLSA-N -2 3 350.338 1.305 20 0 FDADHL CCOC(=O)C([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)=C(C)[O-] ZINC001197763077 972389253 /nfs/dbraw/zinc/38/92/53/972389253.db2.gz FDMOYZZCYQGOMF-GFCCVEGCSA-N -2 3 368.238 1.934 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cn1 ZINC000795280663 1013247809 /nfs/dbraw/zinc/24/78/09/1013247809.db2.gz RADNVAOBFGSVBE-UHFFFAOYSA-N -2 3 352.269 1.347 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc1Cl ZINC001574456481 961515021 /nfs/dbraw/zinc/51/50/21/961515021.db2.gz LNIFHQIBTQWMMV-GHMZBOCLSA-N -2 3 355.803 1.665 20 0 FDADHL COC(=O)c1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c([O-])c(OC)c1 ZINC001574083434 962307905 /nfs/dbraw/zinc/30/79/05/962307905.db2.gz PIKLWWQBVMPMQU-QWRGUYRKSA-N -2 3 367.354 1.396 20 0 FDADHL CNC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184696230 963684895 /nfs/dbraw/zinc/68/48/95/963684895.db2.gz DKGZTOMXIKNGJY-UHFFFAOYSA-N -2 3 362.407 1.783 20 0 FDADHL CC(C)(C)OC(=O)c1ccc(NC(=O)Cn2nn[n-]c2=S)c([O-])c1 ZINC001177741173 963954875 /nfs/dbraw/zinc/95/48/75/963954875.db2.gz XSSYPMMMJVXKAC-UHFFFAOYSA-N -2 3 351.388 1.261 20 0 FDADHL Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568108 963982207 /nfs/dbraw/zinc/98/22/07/963982207.db2.gz NTATUSSQBMFDON-UHFFFAOYSA-N -2 3 359.415 1.669 20 0 FDADHL Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568108 963982210 /nfs/dbraw/zinc/98/22/10/963982210.db2.gz NTATUSSQBMFDON-UHFFFAOYSA-N -2 3 359.415 1.669 20 0 FDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001177866293 963982245 /nfs/dbraw/zinc/98/22/45/963982245.db2.gz JLTRCUZKBZGWLV-NSHDSACASA-N -2 3 359.434 1.396 20 0 FDADHL Cn1ncc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185598803 963997677 /nfs/dbraw/zinc/99/76/77/963997677.db2.gz VEWZSUSJNJPLHZ-UHFFFAOYSA-N -2 3 355.383 1.554 20 0 FDADHL Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)N2 ZINC001185920694 964219543 /nfs/dbraw/zinc/21/95/43/964219543.db2.gz RQIVUGIVPGZQES-HNNXBMFYSA-N -2 3 360.391 1.973 20 0 FDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1F ZINC001185919255 964219899 /nfs/dbraw/zinc/21/98/99/964219899.db2.gz XKDJSLNXHWVWLM-UHFFFAOYSA-N -2 3 352.343 1.732 20 0 FDADHL Cc1cc(C)c(NC(=O)c2[n-]nnc2C(F)(F)F)c(S(=O)(=O)[O-])c1 ZINC001187766617 965733629 /nfs/dbraw/zinc/73/36/29/965733629.db2.gz ZVUXHQGLSOBAHI-UHFFFAOYSA-N -2 3 364.305 1.939 20 0 FDADHL Cc1cc(C)c(NC(=O)c2nn[n-]c2C(F)(F)F)c(S(=O)(=O)[O-])c1 ZINC001187766617 965733636 /nfs/dbraw/zinc/73/36/36/965733636.db2.gz ZVUXHQGLSOBAHI-UHFFFAOYSA-N -2 3 364.305 1.939 20 0 FDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])cc1Cl ZINC000776589561 967273059 /nfs/dbraw/zinc/27/30/59/967273059.db2.gz NMACIIDYSISZPT-ZETCQYMHSA-N -2 3 366.798 1.827 20 0 FDADHL COc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852736055 967564410 /nfs/dbraw/zinc/56/44/10/967564410.db2.gz KLVMTHUFXQFESH-QWHCGFSZSA-N -2 3 360.332 1.791 20 0 FDADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(F)cc1Br ZINC001191383532 968457132 /nfs/dbraw/zinc/45/71/32/968457132.db2.gz VILUAGPTFBPGKE-UHFFFAOYSA-N -2 3 362.113 1.044 20 0 FDADHL Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(=O)N2 ZINC001192150964 968969980 /nfs/dbraw/zinc/96/99/80/968969980.db2.gz WMGBYWCNHBUMRP-KRWDZBQOSA-N -2 3 374.418 1.984 20 0 FDADHL COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001192208372 968993476 /nfs/dbraw/zinc/99/34/76/968993476.db2.gz CYJDNTVBEVTOJB-UONOGXRCSA-N -2 3 355.327 1.651 20 0 FDADHL O=C(NC1=CCOC1=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193292252 969617627 /nfs/dbraw/zinc/61/76/27/969617627.db2.gz VMBOBDZQRIECAR-UHFFFAOYSA-N -2 3 374.374 1.364 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(Cl)ccc1-n1cnnn1 ZINC001194779803 970387653 /nfs/dbraw/zinc/38/76/53/970387653.db2.gz BOMMHVLQMTXMIX-UHFFFAOYSA-N -2 3 359.710 1.003 20 0 FDADHL Cc1cc(=O)[n-]c(N2CC[C@H]([N-]S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC001194802061 970425026 /nfs/dbraw/zinc/42/50/26/970425026.db2.gz KKBSIYUIIFCZED-JTQLQIEISA-N -2 3 370.381 1.326 20 0 FDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001605417122 973430791 /nfs/dbraw/zinc/43/07/91/973430791.db2.gz VYJLLEIFZHUWAJ-ZDUSSCGKSA-N -2 3 360.414 1.840 20 0 FDADHL Cc1nc(C=Cc2cc(Br)nn2C)[n-]c(=O)c1CC(=O)[O-] ZINC000794714505 973785778 /nfs/dbraw/zinc/78/57/78/973785778.db2.gz RZVXWJZKIRNTDO-ONEGZZNKSA-N -2 3 353.176 1.784 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)/C=C/C(=O)[O-])ccc1F ZINC001591668976 975427451 /nfs/dbraw/zinc/42/74/51/975427451.db2.gz HSSSWOKMXHCWCH-LJJSCBMDSA-N -2 3 358.391 1.272 20 0 FDADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000866179588 975459650 /nfs/dbraw/zinc/45/96/50/975459650.db2.gz SOAUDAFHMMCGHX-HNNXBMFYSA-N -2 3 368.315 1.206 20 0 FDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1 ZINC000848676026 976991290 /nfs/dbraw/zinc/99/12/90/976991290.db2.gz LHJCGQKPKOSSQB-SNVBAGLBSA-N -2 3 361.391 1.842 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[S@](C)=O ZINC001592519490 978362592 /nfs/dbraw/zinc/36/25/92/978362592.db2.gz HNWCPFHSNQFUIE-SGWXMTNESA-N -2 3 371.839 1.613 20 0 FDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000776504400 978750729 /nfs/dbraw/zinc/75/07/29/978750729.db2.gz GIZMOFMVYQTGIG-SCSAIBSYSA-N -2 3 359.763 1.436 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000776537905 979003198 /nfs/dbraw/zinc/00/31/98/979003198.db2.gz OAHGZNXYDDGRQW-SSDOTTSWSA-N -2 3 354.197 1.977 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000833027136 979069965 /nfs/dbraw/zinc/06/99/65/979069965.db2.gz QAUNSUKWPXZMJQ-UHFFFAOYSA-N -2 3 361.379 1.950 20 0 FDADHL C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592715704 979213224 /nfs/dbraw/zinc/21/32/24/979213224.db2.gz FZSGVDFYFIZSEU-QMMMGPOBSA-N -2 3 366.424 1.800 20 0 FDADHL C[C@@](CO)([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)[O-] ZINC001592733970 979257489 /nfs/dbraw/zinc/25/74/89/979257489.db2.gz MKKONQWGFSWLSQ-NSHDSACASA-N -2 3 352.131 1.493 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000849332541 979492904 /nfs/dbraw/zinc/49/29/04/979492904.db2.gz QEZSJMJJXUJDTI-KCJUWKMLSA-N -2 3 353.368 1.539 20 0 FDADHL C[C@H](CS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)C(=O)[O-] ZINC001592815840 979511442 /nfs/dbraw/zinc/51/14/42/979511442.db2.gz KGJGPRFCAUTSAW-MRVWCRGKSA-N -2 3 357.428 1.519 20 0 FDADHL C[C@@](Cn1cccn1)([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001592925893 979945615 /nfs/dbraw/zinc/94/56/15/979945615.db2.gz JVGCYWIJTOMRDR-ZDUSSCGKSA-N -2 3 361.782 1.497 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](O)c1ccccc1F ZINC001595317574 980494572 /nfs/dbraw/zinc/49/45/72/980494572.db2.gz ZVEPOIXXAVBDOW-GXFFZTMASA-N -2 3 374.415 1.771 20 0 FDADHL CC[C@@]([N-]S(=O)(=O)c1occc1C(=O)OC)(C(=O)[O-])c1ccccc1 ZINC001595317565 980494604 /nfs/dbraw/zinc/49/46/04/980494604.db2.gz ZIYFQFYEXNYEFJ-INIZCTEOSA-N -2 3 367.379 1.735 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCN2CC(F)(F)F)oc1C(=O)[O-] ZINC000903511354 980965240 /nfs/dbraw/zinc/96/52/40/980965240.db2.gz SWRWPIREDCFQEZ-SECBINFHSA-N -2 3 370.349 1.591 20 0 FDADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000882706437 981611784 /nfs/dbraw/zinc/61/17/84/981611784.db2.gz 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O=S(=O)([N-]c1noc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493585 986492778 /nfs/dbraw/zinc/49/27/78/986492778.db2.gz RZTGWGQYYBPKCZ-UHFFFAOYSA-N -2 3 369.366 1.718 20 0 FDADHL O=S(=O)([N-]c1noc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493585 986492781 /nfs/dbraw/zinc/49/27/81/986492781.db2.gz RZTGWGQYYBPKCZ-UHFFFAOYSA-N -2 3 369.366 1.718 20 0 FDADHL C[C@@H]1OC[C@]2(CC[C@@H](C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)O2)[C@H]1C ZINC001594641281 986792939 /nfs/dbraw/zinc/79/29/39/986792939.db2.gz WQUBAZJEQBRYRV-USXUVBGUSA-N -2 3 359.400 1.229 20 0 FDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000871670734 987187194 /nfs/dbraw/zinc/18/71/94/987187194.db2.gz BUFRZKJFJDQPFD-JTQLQIEISA-N -2 3 352.865 1.619 20 0 FDADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000871964382 987375432 /nfs/dbraw/zinc/37/54/32/987375432.db2.gz XKQBZYJLPSPQHA-CYBMUJFWSA-N -2 3 367.345 1.942 20 0 FDADHL CCn1c(C)cc2[n-]nc(NC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)c2c1=O ZINC001597844123 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359.375 1.392 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ncccc23)C(=O)[O-])s1 ZINC000547545484 542368590 /nfs/dbraw/zinc/36/85/90/542368590.db2.gz UPNGBPPCDIMVNW-NSHDSACASA-N -2 3 366.424 1.302 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000547549920 542370639 /nfs/dbraw/zinc/37/06/39/542370639.db2.gz LGSVKUBVAMDOJD-GFCCVEGCSA-N -2 3 371.846 1.778 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000547553133 542371888 /nfs/dbraw/zinc/37/18/88/542371888.db2.gz BUORHBJVYOTFPB-WRWORJQWSA-N -2 3 354.211 1.761 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000547558201 542374308 /nfs/dbraw/zinc/37/43/08/542374308.db2.gz VYAMSJVWVVPKAZ-CPCISQLKSA-N -2 3 364.763 1.016 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000547565919 542377014 /nfs/dbraw/zinc/37/70/14/542377014.db2.gz SXPVTVDOTWWANL-LBPRGKRZSA-N -2 3 358.347 1.241 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547565306 542377083 /nfs/dbraw/zinc/37/70/83/542377083.db2.gz LRZUJYBHLDGFII-CZUORRHYSA-N -2 3 373.402 1.924 20 0 FDADHL CCn1cnc(S(=O)(=O)[N-]CCCc2nc(C)c(C(=O)[O-])s2)c1 ZINC000547558621 542373925 /nfs/dbraw/zinc/37/39/25/542373925.db2.gz NTQOMJMSMCDKMJ-UHFFFAOYSA-N -2 3 358.445 1.277 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000547558204 542373932 /nfs/dbraw/zinc/37/39/32/542373932.db2.gz VYAMSJVWVVPKAZ-RDDDGLTNSA-N -2 3 364.763 1.016 20 0 FDADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC000547558362 542374186 /nfs/dbraw/zinc/37/41/86/542374186.db2.gz YELNZKKCMPDJHB-CMPLNLGQSA-N -2 3 358.803 1.370 20 0 FDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000547592978 542385819 /nfs/dbraw/zinc/38/58/19/542385819.db2.gz NFXDZXMLKVTZIM-QMMMGPOBSA-N -2 3 367.470 1.409 20 0 FDADHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547608525 542389241 /nfs/dbraw/zinc/38/92/41/542389241.db2.gz GBEHGLLMVAHLFP-LBPRGKRZSA-N -2 3 372.380 1.769 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c(C)o1 ZINC000547870254 542470566 /nfs/dbraw/zinc/47/05/66/542470566.db2.gz LLBLQGGRFLBLAI-ZDUSSCGKSA-N -2 3 371.342 1.618 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c(F)c1 ZINC000547881078 542475077 /nfs/dbraw/zinc/47/50/77/542475077.db2.gz AWZVJGUANFTVMF-GFCCVEGCSA-N -2 3 352.387 1.751 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000547885626 542476947 /nfs/dbraw/zinc/47/69/47/542476947.db2.gz UPRNMYIVATYMDH-SWLSCSKDSA-N -2 3 374.484 1.696 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000547911671 542485792 /nfs/dbraw/zinc/48/57/92/542485792.db2.gz ROFXJVZHQPOGCP-QMMMGPOBSA-N -2 3 364.445 1.488 20 0 FDADHL C[C@](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)(CC(=O)[O-])C(=O)[O-] ZINC000547934612 542492394 /nfs/dbraw/zinc/49/23/94/542492394.db2.gz RTRZWLDBRRBWEO-GFCCVEGCSA-N -3 3 370.210 1.837 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC000548200269 542583055 /nfs/dbraw/zinc/58/30/55/542583055.db2.gz KMXTXHUOZGUWEK-CYBMUJFWSA-N -2 3 369.420 1.947 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)nc1C ZINC000548245581 542599229 /nfs/dbraw/zinc/59/92/29/542599229.db2.gz VTSKRNPXEPBJFJ-CYBMUJFWSA-N -2 3 355.391 1.845 20 0 FDADHL O=C(NC[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ncccc1[O-] ZINC000548304045 542617321 /nfs/dbraw/zinc/61/73/21/542617321.db2.gz QUMYUHMEDJPWSG-QWHCGFSZSA-N -2 3 370.409 1.606 20 0 FDADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)[C@H]2CCCOC2)n1 ZINC000548529442 542691493 /nfs/dbraw/zinc/69/14/93/542691493.db2.gz HPTWJQBARTXBEJ-NSHDSACASA-N -2 3 351.384 1.491 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c[nH]1 ZINC000548535507 542693993 /nfs/dbraw/zinc/69/39/93/542693993.db2.gz IVUBJBSQUYYSMN-LLVKDONJSA-N -2 3 357.819 1.593 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c1 ZINC000548543474 542697918 /nfs/dbraw/zinc/69/79/18/542697918.db2.gz SPNAJDQCFNPXAN-CZUORRHYSA-N -2 3 373.402 1.924 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000548555194 542701520 /nfs/dbraw/zinc/70/15/20/542701520.db2.gz DPKZYQUPWHCFSO-CQSZACIVSA-N -2 3 352.412 1.822 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000548589333 542712031 /nfs/dbraw/zinc/71/20/31/542712031.db2.gz MHZYOKBJTFXHIH-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL Cn1cnc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000548591203 542712842 /nfs/dbraw/zinc/71/28/42/542712842.db2.gz COXSTJIKVRPXFE-LLVKDONJSA-N -2 3 361.782 1.187 20 0 FDADHL CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])nc1C ZINC000548592078 542713547 /nfs/dbraw/zinc/71/35/47/542713547.db2.gz LJPAEVCPZFJUQV-NHYWBVRUSA-N -2 3 351.428 1.952 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])s1 ZINC000548618645 542720394 /nfs/dbraw/zinc/72/03/94/542720394.db2.gz NUNRBTGYLLRRGM-SECBINFHSA-N -2 3 362.473 1.552 20 0 FDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cn(CC)c(C)n2)(C(=O)[O-])C1(C)C ZINC000548685105 542753035 /nfs/dbraw/zinc/75/30/35/542753035.db2.gz YVJDLCAKOSOGHS-IAQYHMDHSA-N -2 3 359.448 1.148 20 0 FDADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c1 ZINC000548770176 542775280 /nfs/dbraw/zinc/77/52/80/542775280.db2.gz QZAMYWIHQOOYTM-QFYYESIMSA-N -2 3 373.402 1.924 20 0 FDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-])C1CC1 ZINC000548990745 542819296 /nfs/dbraw/zinc/81/92/96/542819296.db2.gz RJVRLQUXGIUCFX-RDDDGLTNSA-N -2 3 363.233 1.622 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)c1 ZINC000551996744 543401220 /nfs/dbraw/zinc/40/12/20/543401220.db2.gz MNGMVTLOTKONPS-CQSZACIVSA-N -2 3 361.441 1.847 20 0 FDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000281163626 258644634 /nfs/dbraw/zinc/64/46/34/258644634.db2.gz BPNQYPOCTMPYQD-JGVFFNPUSA-N -2 3 364.192 1.896 20 0 FDADHL CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000553231633 543592342 /nfs/dbraw/zinc/59/23/42/543592342.db2.gz WCAXAFCXNSLNSR-VIFPVBQESA-N -2 3 370.493 1.617 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000554678296 543850482 /nfs/dbraw/zinc/85/04/82/543850482.db2.gz WTBXOHDEOBVVSX-OQPBUACISA-N -2 3 359.375 1.390 20 0 FDADHL O=C(NC[C@@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)C1)c1cncc([O-])c1 ZINC000555882487 544046864 /nfs/dbraw/zinc/04/68/64/544046864.db2.gz WLSCEOVUEYAMDL-DOMZBBRYSA-N -2 3 370.409 1.606 20 0 FDADHL C[C@]1(c2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)cc2)NC(=O)[N-]C1=O ZINC000556671714 544172610 /nfs/dbraw/zinc/17/26/10/544172610.db2.gz FMOAQRWNTMAJRB-QGZVFWFLSA-N -2 3 354.322 1.087 20 0 FDADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000375614227 261382247 /nfs/dbraw/zinc/38/22/47/261382247.db2.gz UNYMCAMNCINHAY-GFCCVEGCSA-N -2 3 352.416 1.797 20 0 FDADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(N)=O ZINC000032081878 519479943 /nfs/dbraw/zinc/47/99/43/519479943.db2.gz BRVQIZDPWCWRII-UHFFFAOYSA-N -2 3 364.379 1.602 20 0 FDADHL CCn1c(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n[n-]c1=S ZINC000066636256 523144931 /nfs/dbraw/zinc/14/49/31/523144931.db2.gz YVPGBKHLIQJIQR-UHFFFAOYSA-N -2 3 373.435 1.401 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CC1 ZINC000077383568 523315310 /nfs/dbraw/zinc/31/53/10/523315310.db2.gz UCEXOKYKANLDNW-SECBINFHSA-N -2 3 350.437 1.522 20 0 FDADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068215945 523731338 /nfs/dbraw/zinc/73/13/38/523731338.db2.gz NJSPMJKYUSSYKY-UHFFFAOYSA-N -2 3 359.363 1.329 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2ccccc2)c(F)c1 ZINC000115845691 525074500 /nfs/dbraw/zinc/07/45/00/525074500.db2.gz LUQDONYFIMMADP-UHFFFAOYSA-N -2 3 358.416 1.676 20 0 FDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCOC1 ZINC000161814026 525172641 /nfs/dbraw/zinc/17/26/41/525172641.db2.gz FBAQLTVNFQCSOW-LLVKDONJSA-N -2 3 368.180 1.110 20 0 FDADHL Cc1cc(=O)n2nc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)[n-]c2n1 ZINC000176968811 525208351 /nfs/dbraw/zinc/20/83/51/525208351.db2.gz AWBRCWWKRLGSKS-UHFFFAOYSA-N -2 3 355.326 1.113 20 0 FDADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000164916838 525537024 /nfs/dbraw/zinc/53/70/24/525537024.db2.gz VHURNXSRKZXDBD-UHFFFAOYSA-N -2 3 364.217 1.743 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000106109378 525600874 /nfs/dbraw/zinc/60/08/74/525600874.db2.gz LMXUEZGALONIOD-UHFFFAOYSA-N -3 3 370.408 1.557 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCc2ccco2)c(F)c1 ZINC000119320535 525706122 /nfs/dbraw/zinc/70/61/22/525706122.db2.gz PPYAUSKYVRYBHV-UHFFFAOYSA-N -2 3 362.404 1.311 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C(=O)[O-] ZINC000185103467 536198624 /nfs/dbraw/zinc/19/86/24/536198624.db2.gz BCDHVECVEAZHFH-GHMZBOCLSA-N -2 3 356.419 1.736 20 0 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551589243 /nfs/dbraw/zinc/58/92/43/551589243.db2.gz DKXXWGSFRUPFPU-UHFFFAOYSA-N -2 3 367.383 1.482 20 0 FDADHL COc1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c([O-])c1 ZINC000588921691 551698820 /nfs/dbraw/zinc/69/88/20/551698820.db2.gz RERVATVJPFXATN-SFHVURJKSA-N -2 3 355.350 1.708 20 0 FDADHL CCOC(=O)c1cnc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)[n-]1 ZINC000590355607 551775452 /nfs/dbraw/zinc/77/54/52/551775452.db2.gz XKLAQDUSWJSIFD-UHFFFAOYSA-N -2 3 353.338 1.793 20 0 FDADHL CCOC(=O)c1cnc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)[n-]1 ZINC000590355607 551775455 /nfs/dbraw/zinc/77/54/55/551775455.db2.gz XKLAQDUSWJSIFD-UHFFFAOYSA-N -2 3 353.338 1.793 20 0 FDADHL CCOC(=O)c1c[n-]c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000590355607 551775457 /nfs/dbraw/zinc/77/54/57/551775457.db2.gz XKLAQDUSWJSIFD-UHFFFAOYSA-N -2 3 353.338 1.793 20 0 FDADHL CCOC(=O)c1c[n-]c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000590355607 551775459 /nfs/dbraw/zinc/77/54/59/551775459.db2.gz XKLAQDUSWJSIFD-UHFFFAOYSA-N -2 3 353.338 1.793 20 0 FDADHL Cc1cccnc1C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000591399383 551867962 /nfs/dbraw/zinc/86/79/62/551867962.db2.gz FESSNLSTJIIBKC-UHFFFAOYSA-N -2 3 373.431 1.379 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)oc1C ZINC000593943775 552231234 /nfs/dbraw/zinc/23/12/34/552231234.db2.gz DNFAYEKHXGSXQW-KPXOXKRLSA-N -2 3 373.427 1.788 20 0 FDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000594694280 552356452 /nfs/dbraw/zinc/35/64/52/552356452.db2.gz HZOJYHNLCGPUJW-IUODEOHRSA-N -2 3 373.427 1.362 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cnn(CC(F)(F)F)c3)ccc21 ZINC000605291883 553972277 /nfs/dbraw/zinc/97/22/77/553972277.db2.gz DQKBRNAVWRUPAC-UHFFFAOYSA-N -2 3 374.300 1.130 20 0 FDADHL Cc1ccsc1S(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000607614155 554164158 /nfs/dbraw/zinc/16/41/58/554164158.db2.gz ZJHNWYDMCNYUDH-OAHLLOKOSA-N -2 3 365.436 1.912 20 0 FDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000610575441 554532917 /nfs/dbraw/zinc/53/29/17/554532917.db2.gz MKMCLZNQWIYAAS-UHFFFAOYSA-N -3 3 354.340 1.314 20 0 FDADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000611512324 554640043 /nfs/dbraw/zinc/64/00/43/554640043.db2.gz QGPBMPOJBULUIN-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000611512324 554640046 /nfs/dbraw/zinc/64/00/46/554640046.db2.gz QGPBMPOJBULUIN-UHFFFAOYSA-N -2 3 373.394 1.763 20 0 FDADHL CCCC[C@H](CNC(=O)c1cncc([O-])c1)NC(=O)c1cncc([O-])c1 ZINC000612289573 554759092 /nfs/dbraw/zinc/75/90/92/554759092.db2.gz HIJKGBBCVCAINO-CQSZACIVSA-N -2 3 358.398 1.606 20 0 FDADHL CC(C)Cc1nc(=NC(=O)CC[N-]S(=O)(=O)c2cccs2)s[n-]1 ZINC000618345948 555620373 /nfs/dbraw/zinc/62/03/73/555620373.db2.gz BZFBZVXODDCHQB-UHFFFAOYSA-N -2 3 374.513 1.527 20 0 FDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000619744455 555829815 /nfs/dbraw/zinc/82/98/15/555829815.db2.gz OLROFXBKAVROGW-SSDOTTSWSA-N -2 3 371.196 1.773 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@H](O)C(=O)[O-])c[nH]1 ZINC000619855220 555844405 /nfs/dbraw/zinc/84/44/05/555844405.db2.gz NQRCICUBKHCKRM-JSGCOSHPSA-N -2 3 373.475 1.596 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)o1 ZINC000621558601 556108868 /nfs/dbraw/zinc/10/88/68/556108868.db2.gz KSDPYBOENPZCBD-UHFFFAOYSA-N -2 3 364.379 1.350 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000621567031 556113023 /nfs/dbraw/zinc/11/30/23/556113023.db2.gz IGIOEJIYRMEJBG-MNOVXSKESA-N -2 3 360.457 1.271 20 0 FDADHL O=C([O-])[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000621584674 556115641 /nfs/dbraw/zinc/11/56/41/556115641.db2.gz DZSRSQMZBUARQP-CYBMUJFWSA-N -2 3 360.457 1.176 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(C(=O)[O-])c1 ZINC000629297795 557756109 /nfs/dbraw/zinc/75/61/09/557756109.db2.gz YVUHRWYRLQXQNU-LLVKDONJSA-N -2 3 356.400 1.652 20 0 FDADHL CC1(C)C[C@@H](S(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])CO1 ZINC000629297859 557756128 /nfs/dbraw/zinc/75/61/28/557756128.db2.gz WGDLNDGYYQTPLV-CHWSQXEVSA-N -2 3 361.391 1.145 20 0 FDADHL CO[C@H](CS(=O)(=O)[N-]Cc1nocc1C(=O)[O-])c1ccc(F)cc1 ZINC000629306098 557758342 /nfs/dbraw/zinc/75/83/42/557758342.db2.gz VBFGTXQHJZEXEQ-CYBMUJFWSA-N -2 3 358.347 1.319 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2COc3cccc(C)c3C2)oc1C(=O)[O-] ZINC000629334816 557767417 /nfs/dbraw/zinc/76/74/17/557767417.db2.gz ZLTCWISETJKYAB-NSHDSACASA-N -2 3 351.380 1.877 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630412963 557906525 /nfs/dbraw/zinc/90/65/25/557906525.db2.gz BANSZWSKNGAOHY-ZETCQYMHSA-N -2 3 358.235 1.279 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000737300979 598931804 /nfs/dbraw/zinc/93/18/04/598931804.db2.gz GLQSARWBIJXKNY-UHFFFAOYSA-N -2 3 361.431 1.927 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737166522 598968666 /nfs/dbraw/zinc/96/86/66/598968666.db2.gz RLOYHKBLGCXFEY-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL CS(=O)(=O)[N-]C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737166522 598968667 /nfs/dbraw/zinc/96/86/67/598968667.db2.gz RLOYHKBLGCXFEY-UHFFFAOYSA-N -2 3 373.394 1.135 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC000737298965 598976335 /nfs/dbraw/zinc/97/63/35/598976335.db2.gz NGKJBFVRQFOBPU-UHFFFAOYSA-N -2 3 363.443 1.950 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC000737298965 598976337 /nfs/dbraw/zinc/97/63/37/598976337.db2.gz NGKJBFVRQFOBPU-UHFFFAOYSA-N -2 3 363.443 1.950 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cccs1 ZINC000737297559 598978105 /nfs/dbraw/zinc/97/81/05/598978105.db2.gz BQSMYRBFKJXBSU-UHFFFAOYSA-N -2 3 363.424 1.284 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cccs1 ZINC000737297559 598978107 /nfs/dbraw/zinc/97/81/07/598978107.db2.gz BQSMYRBFKJXBSU-UHFFFAOYSA-N -2 3 363.424 1.284 20 0 FDADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000738140392 599025925 /nfs/dbraw/zinc/02/59/25/599025925.db2.gz UEZOGCBPYLFVJR-VQHVLOKHSA-N -2 3 361.408 1.659 20 0 FDADHL O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738140392 599025927 /nfs/dbraw/zinc/02/59/27/599025927.db2.gz UEZOGCBPYLFVJR-VQHVLOKHSA-N -2 3 361.408 1.659 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000735552237 599148763 /nfs/dbraw/zinc/14/87/63/599148763.db2.gz WPFZMOCUDGOPSH-SNVBAGLBSA-N -2 3 351.432 1.495 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000735552237 599148765 /nfs/dbraw/zinc/14/87/65/599148765.db2.gz WPFZMOCUDGOPSH-SNVBAGLBSA-N -2 3 351.432 1.495 20 0 FDADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000819957504 599232111 /nfs/dbraw/zinc/23/21/11/599232111.db2.gz AFRRUGQQSFESNI-UHFFFAOYSA-N -2 3 365.394 1.827 20 0 FDADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000819957504 599232114 /nfs/dbraw/zinc/23/21/14/599232114.db2.gz AFRRUGQQSFESNI-UHFFFAOYSA-N -2 3 365.394 1.827 20 0 FDADHL O=C([N-]n1cnc2ccccc2c1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823387774 607263416 /nfs/dbraw/zinc/26/34/16/607263416.db2.gz XFORGOFCLBOBIX-UHFFFAOYSA-N -2 3 368.744 1.009 20 0 FDADHL O=C([N-]n1cnc2ccccc2c1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823387774 607263417 /nfs/dbraw/zinc/26/34/17/607263417.db2.gz XFORGOFCLBOBIX-UHFFFAOYSA-N -2 3 368.744 1.009 20 0 FDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000767015154 597464701 /nfs/dbraw/zinc/46/47/01/597464701.db2.gz FKMXPGYBRJTDSE-SECBINFHSA-N -2 3 360.407 1.448 20 0 FDADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737190293 598296197 /nfs/dbraw/zinc/29/61/97/598296197.db2.gz XOCDCWYEXSLIBB-UHFFFAOYSA-N -2 3 372.823 1.161 20 0 FDADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737190293 598296199 /nfs/dbraw/zinc/29/61/99/598296199.db2.gz XOCDCWYEXSLIBB-UHFFFAOYSA-N -2 3 372.823 1.161 20 0 FDADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736960148 598381934 /nfs/dbraw/zinc/38/19/34/598381934.db2.gz FLCOJFOHPWKFCB-SNVBAGLBSA-N -2 3 360.399 1.770 20 0 FDADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736960148 598381937 /nfs/dbraw/zinc/38/19/37/598381937.db2.gz FLCOJFOHPWKFCB-SNVBAGLBSA-N -2 3 360.399 1.770 20 0 FDADHL Cc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737370964 598491100 /nfs/dbraw/zinc/49/11/00/598491100.db2.gz ZEWCIAGMGSALCW-VWLOTQADSA-N -2 3 355.423 1.599 20 0 FDADHL Cc1ccccc1S([O-])=CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737432206 598492605 /nfs/dbraw/zinc/49/26/05/598492605.db2.gz RRZUNTVBWALSST-VWLOTQADSA-N -2 3 355.423 1.599 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735761640 598535352 /nfs/dbraw/zinc/53/53/52/598535352.db2.gz OROQYVJTAYZWKD-LBPRGKRZSA-N -2 3 365.459 1.885 20 0 FDADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735761640 598535354 /nfs/dbraw/zinc/53/53/54/598535354.db2.gz OROQYVJTAYZWKD-LBPRGKRZSA-N -2 3 365.459 1.885 20 0 FDADHL O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340984 598608220 /nfs/dbraw/zinc/60/82/20/598608220.db2.gz ATGHRCOVIOHLTA-UHFFFAOYSA-N -2 3 371.426 1.663 20 0 FDADHL O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340984 598608221 /nfs/dbraw/zinc/60/82/21/598608221.db2.gz ATGHRCOVIOHLTA-UHFFFAOYSA-N -2 3 371.426 1.663 20 0 FDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736058369 598750374 /nfs/dbraw/zinc/75/03/74/598750374.db2.gz LQWJGMGHLUWSIE-LBPRGKRZSA-N -2 3 371.422 1.550 20 0 FDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736058369 598750375 /nfs/dbraw/zinc/75/03/75/598750375.db2.gz LQWJGMGHLUWSIE-LBPRGKRZSA-N -2 3 371.422 1.550 20 0 FDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690200 599619824 /nfs/dbraw/zinc/61/98/24/599619824.db2.gz HIKZGQFSQWXTIL-RISCZKNCSA-N -2 3 363.443 1.639 20 0 FDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690200 599619825 /nfs/dbraw/zinc/61/98/25/599619825.db2.gz HIKZGQFSQWXTIL-RISCZKNCSA-N -2 3 363.443 1.639 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1 ZINC000822222901 599624615 /nfs/dbraw/zinc/62/46/15/599624615.db2.gz XOXHGXBGUPVVCP-GWCFXTLKSA-N -2 3 363.443 1.806 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1 ZINC000822222901 599624616 /nfs/dbraw/zinc/62/46/16/599624616.db2.gz XOXHGXBGUPVVCP-GWCFXTLKSA-N -2 3 363.443 1.806 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1OC ZINC000737227129 599736817 /nfs/dbraw/zinc/73/68/17/599736817.db2.gz XOJSRTVELFYKQY-UHFFFAOYSA-N -2 3 373.431 1.785 20 0 FDADHL O=C([O-])[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000738552615 599976259 /nfs/dbraw/zinc/97/62/59/599976259.db2.gz OKGFICAXSJSKNQ-NSHDSACASA-N -2 3 361.379 1.942 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C(=O)[O-])nc(=O)c2c1C 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C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000820536715 607102228 /nfs/dbraw/zinc/10/22/28/607102228.db2.gz WYJCDRKLOLNXTF-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000820536715 607102230 /nfs/dbraw/zinc/10/22/30/607102230.db2.gz WYJCDRKLOLNXTF-NSHDSACASA-N -2 3 359.386 1.347 20 0 FDADHL Cc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1C(=O)[O-] ZINC000822208222 607110440 /nfs/dbraw/zinc/11/04/40/607110440.db2.gz HHGUCOIDWKWFMC-UHFFFAOYSA-N -2 3 353.338 1.891 20 0 FDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822553868 607172422 /nfs/dbraw/zinc/17/24/22/607172422.db2.gz SFUPDFCJELZZLB-UHFFFAOYSA-N -2 3 364.412 1.136 20 0 FDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822553868 607172423 /nfs/dbraw/zinc/17/24/23/607172423.db2.gz SFUPDFCJELZZLB-UHFFFAOYSA-N -2 3 364.412 1.136 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826232145 608141082 /nfs/dbraw/zinc/14/10/82/608141082.db2.gz SVCGOHPCFSYIQW-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826232145 608141083 /nfs/dbraw/zinc/14/10/83/608141083.db2.gz SVCGOHPCFSYIQW-LBPRGKRZSA-N -2 3 371.422 1.616 20 0 FDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCCO2 ZINC000826492691 608220369 /nfs/dbraw/zinc/22/03/69/608220369.db2.gz YFXMSPDDUPGPNR-UHFFFAOYSA-N -2 3 358.383 1.388 20 0 FDADHL O=C(Cc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826424066 608275014 /nfs/dbraw/zinc/27/50/14/608275014.db2.gz ULHSWYANOKPFGO-UHFFFAOYSA-N -2 3 367.774 1.161 20 0 FDADHL O=C(Cc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826424066 608275017 /nfs/dbraw/zinc/27/50/17/608275017.db2.gz ULHSWYANOKPFGO-UHFFFAOYSA-N -2 3 367.774 1.161 20 0 FDADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825728565 608317980 /nfs/dbraw/zinc/31/79/80/608317980.db2.gz QCEYPMWNTZHHSN-UHFFFAOYSA-N -2 3 372.410 1.251 20 0 FDADHL CCc1cccnc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825728565 608317982 /nfs/dbraw/zinc/31/79/82/608317982.db2.gz QCEYPMWNTZHHSN-UHFFFAOYSA-N -2 3 372.410 1.251 20 0 FDADHL CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826146661 608424985 /nfs/dbraw/zinc/42/49/85/608424985.db2.gz ZIAINATZCQVBCM-PRHODGIISA-N -2 3 373.385 1.238 20 0 FDADHL O=C([N-]N1CCCC1=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826443731 608874762 /nfs/dbraw/zinc/87/47/62/608874762.db2.gz AQLXCUSLWLFZQD-UHFFFAOYSA-N -2 3 368.353 1.306 20 0 FDADHL O=C([N-]N1CCCC1=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826443731 608874763 /nfs/dbraw/zinc/87/47/63/608874763.db2.gz AQLXCUSLWLFZQD-UHFFFAOYSA-N -2 3 368.353 1.306 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000824729094 609259534 /nfs/dbraw/zinc/25/95/34/609259534.db2.gz IOBXYCHHBMRXDY-GXTWGEPZSA-N -2 3 373.413 1.880 20 0 FDADHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)c1ccccc1[O-] ZINC000032586311 670867351 /nfs/dbraw/zinc/86/73/51/670867351.db2.gz WNLNECBKQSTDPJ-UHFFFAOYSA-N -2 3 351.340 1.232 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)c(Br)c1 ZINC000049152688 671090218 /nfs/dbraw/zinc/09/02/18/671090218.db2.gz PMWJGEZHHJUIED-UHFFFAOYSA-N -2 3 362.249 1.660 20 0 FDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000049275359 671091595 /nfs/dbraw/zinc/09/15/95/671091595.db2.gz SYDMWIIAHZUPAN-UHFFFAOYSA-N -2 3 366.237 1.360 20 0 FDADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1C ZINC000060436938 671286586 /nfs/dbraw/zinc/28/65/86/671286586.db2.gz MQTVWCNSCFAUFI-UHFFFAOYSA-N -2 3 367.358 1.974 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)sc1Br ZINC000279320015 675275315 /nfs/dbraw/zinc/27/53/15/675275315.db2.gz GAVQVPYDPBYPMD-UHFFFAOYSA-N -2 3 368.234 1.016 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)OC ZINC000290717599 676226462 /nfs/dbraw/zinc/22/64/62/676226462.db2.gz UOGJXXYDUDZDHE-ZCFIWIBFSA-N -2 3 372.262 1.912 20 0 FDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000427298823 680971814 /nfs/dbraw/zinc/97/18/14/680971814.db2.gz GYGGQGCTQPGDEF-UHFFFAOYSA-N -3 3 353.327 1.952 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)s1 ZINC000436480193 681698310 /nfs/dbraw/zinc/69/83/10/681698310.db2.gz XIYILVNUCHJDMS-UHFFFAOYSA-N -2 3 371.392 1.828 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000436634584 681711228 /nfs/dbraw/zinc/71/12/28/681711228.db2.gz PVBGWORBPNOMCN-UHFFFAOYSA-N -2 3 362.363 1.474 20 0 FDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000436662208 681714140 /nfs/dbraw/zinc/71/41/40/681714140.db2.gz FXUYEPYHWTVGRW-UHFFFAOYSA-N -3 3 357.365 1.739 20 0 FDADHL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000437683360 681808028 /nfs/dbraw/zinc/80/80/28/681808028.db2.gz SSOXKLRVPHNNBY-UHFFFAOYSA-N -2 3 360.347 1.094 20 0 FDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000484555522 686604767 /nfs/dbraw/zinc/60/47/67/686604767.db2.gz KDFNCZZEXIEEOG-UHFFFAOYSA-N -2 3 374.321 1.667 20 0 FDADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000485819606 686781706 /nfs/dbraw/zinc/78/17/06/686781706.db2.gz UZITYXANVJRTOQ-UHFFFAOYSA-N -2 3 373.383 1.728 20 0 FDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000514856321 689776055 /nfs/dbraw/zinc/77/60/55/689776055.db2.gz DANVZWJCVFHIHY-FKQCQYRASA-N -2 3 352.181 1.730 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)s1 ZINC000515536868 689870700 /nfs/dbraw/zinc/87/07/00/689870700.db2.gz OCVSQRNPFJHZCS-QMMMGPOBSA-N -2 3 370.399 1.019 20 0 FDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000517033113 690026197 /nfs/dbraw/zinc/02/61/97/690026197.db2.gz GWAJPYIQKPKTQJ-NOZJJQNGSA-N -2 3 361.445 1.413 20 0 FDADHL O=C([O-])CN1CCC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000517945531 690106824 /nfs/dbraw/zinc/10/68/24/690106824.db2.gz YEGVOAOWKUGZTJ-UHFFFAOYSA-N -2 3 368.789 1.446 20 0 FDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000518884442 690167133 /nfs/dbraw/zinc/16/71/33/690167133.db2.gz RIQJUAJBERNTNB-QHCPKHFHSA-N -2 3 369.420 1.937 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000520270618 690304110 /nfs/dbraw/zinc/30/41/10/690304110.db2.gz DEOALSYRVIPMNE-IUCAKERBSA-N -2 3 368.333 1.259 20 0 FDADHL O=C(Nc1nnn[n-]1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000522859155 694501846 /nfs/dbraw/zinc/50/18/46/694501846.db2.gz VHWJLOGTQYGXMF-UHFFFAOYSA-N -2 3 362.346 1.392 20 0 FDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C(F)F)c(F)c1 ZINC000641705257 696208334 /nfs/dbraw/zinc/20/83/34/696208334.db2.gz KOTGJXUSFOCNDO-MRVPVSSYSA-N -2 3 374.406 1.909 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C(C)C ZINC000647124115 774278018 /nfs/dbraw/zinc/27/80/18/774278018.db2.gz PSRQJMVYYYJADQ-ZDUSSCGKSA-N -2 3 350.462 1.471 20 0 FDADHL CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[nH]1 ZINC000277103044 780746746 /nfs/dbraw/zinc/74/67/46/780746746.db2.gz QRQYGTOJXHCQAQ-CBAPKCEASA-N -2 3 371.401 1.867 20 0 FDADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1c([O-])cccc1F ZINC000685743385 784780172 /nfs/dbraw/zinc/78/01/72/784780172.db2.gz YKORFJHXPGLDSM-UHFFFAOYSA-N -2 3 360.313 1.727 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)NC1CCCC1 ZINC000065832967 785041344 /nfs/dbraw/zinc/04/13/44/785041344.db2.gz LWFJKYCEFUZWBN-UHFFFAOYSA-N -2 3 374.422 1.841 20 0 FDADHL O=C([O-])[C@@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC=CCC1 ZINC000653300202 793012003 /nfs/dbraw/zinc/01/20/03/793012003.db2.gz OWOCSYQAMOWPAQ-IBGZPJMESA-N -2 3 358.394 1.488 20 0 FDADHL CCOC(=O)c1c[n-]n(C2CCN(C(=O)c3ccc(O)cc3[O-])CC2)c1=N ZINC000378555246 794311583 /nfs/dbraw/zinc/31/15/83/794311583.db2.gz CWOYTURQNBZIOR-UHFFFAOYSA-N -2 3 374.397 1.361 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(-c2ccccc2)s1 ZINC000663285539 806332021 /nfs/dbraw/zinc/33/20/21/806332021.db2.gz INVZDBMDBYKUFB-UHFFFAOYSA-N -2 3 356.425 1.498 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663286311 806332724 /nfs/dbraw/zinc/33/27/24/806332724.db2.gz QNUXCBDXUCQOEN-NSHDSACASA-N -2 3 356.425 1.496 20 0 FDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-n4nn[n-]c4=O)cc3)ccc2O1 ZINC000443407962 821515307 /nfs/dbraw/zinc/51/53/07/821515307.db2.gz RLWRLLRUPTWYEJ-JTQLQIEISA-N -2 3 373.394 1.492 20 0 FDADHL O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000899951106 846931638 /nfs/dbraw/zinc/93/16/38/846931638.db2.gz UWRODNFDBKGNMA-KCJUWKMLSA-N -2 3 351.783 1.637 20 0 FDADHL O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923162508 888230285 /nfs/dbraw/zinc/23/02/85/888230285.db2.gz YEUMEUGDCMCVNB-XPKDYRNWSA-N -2 3 351.374 1.945 20 0 FDADHL COC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195254974 970795775 /nfs/dbraw/zinc/79/57/75/970795775.db2.gz QGXCDKHDUCBGOW-YUMQZZPRSA-N -2 3 363.338 1.283 20 0 FDADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195254899 970795979 /nfs/dbraw/zinc/79/59/79/970795979.db2.gz OQOPFBVIDVHIGE-UHFFFAOYSA-N -2 3 372.349 1.588 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ncc(Cl)cn2)c(F)cc1F ZINC001195255538 970797600 /nfs/dbraw/zinc/79/76/00/970797600.db2.gz YNBFOLYCDUFCHF-UHFFFAOYSA-N -2 3 363.729 1.585 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCC[C@H](F)C2)c(F)cc1F ZINC001195260501 970800226 /nfs/dbraw/zinc/80/02/26/970800226.db2.gz YFCOZVBSLSALHU-VIFPVBQESA-N -2 3 366.361 1.375 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(O)cc2)c(F)cc1F ZINC001195267751 970803863 /nfs/dbraw/zinc/80/38/63/970803863.db2.gz FYOHFKQTMMRSIW-ZDUSSCGKSA-N -2 3 373.333 1.381 20 0 FDADHL CCOc1ccc(-c2nc(C)c(C(=O)[N-]n3c(=O)[n-][nH]c3=O)s2)cc1 ZINC000816732099 942313945 /nfs/dbraw/zinc/31/39/45/942313945.db2.gz SBWDQUTZNXEZPL-UHFFFAOYSA-N -2 3 361.383 1.904 20 0 FDADHL O=c1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o[n-]1 ZINC001195505400 971000197 /nfs/dbraw/zinc/00/01/97/971000197.db2.gz NPSKPGROZKWXOM-UHFFFAOYSA-N -2 3 351.153 1.760 20 0 FDADHL O=c1cc(N2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3[O-])C2)nc[n-]1 ZINC001195735045 971201008 /nfs/dbraw/zinc/20/10/08/971201008.db2.gz TXGKPRBGEDSHGV-SECBINFHSA-N -2 3 370.818 1.098 20 0 FDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000824737017 946918121 /nfs/dbraw/zinc/91/81/21/946918121.db2.gz BBRMBCZNWCLFSU-NSHDSACASA-N -2 3 367.365 1.900 20 0 FDADHL CCCCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000825266802 947136485 /nfs/dbraw/zinc/13/64/85/947136485.db2.gz HNZQQCAKLFAUBW-WCQYABFASA-N -2 3 361.402 1.784 20 0 FDADHL CCCCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000825266802 947136491 /nfs/dbraw/zinc/13/64/91/947136491.db2.gz HNZQQCAKLFAUBW-WCQYABFASA-N -2 3 361.402 1.784 20 0 FDADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CO1 ZINC000844895512 948481808 /nfs/dbraw/zinc/48/18/08/948481808.db2.gz OGYGRGKEYDQMPX-NTSWFWBYSA-N -2 3 370.246 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O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001595192494 952290682 /nfs/dbraw/zinc/29/06/82/952290682.db2.gz KDXVPDLUNWBVEI-LBPRGKRZSA-N -2 3 358.778 1.848 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])C1=CN2C(=CC=C[C@H]2C(F)(F)F)N1 ZINC001148012989 952592489 /nfs/dbraw/zinc/59/24/89/952592489.db2.gz QOMFIHQDBPVTIB-JTQLQIEISA-N -2 3 367.264 1.149 20 0 FDADHL COC(=O)c1sc2[n-]c(CN3[C@H](C)CC[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC001593898541 955849343 /nfs/dbraw/zinc/84/93/43/955849343.db2.gz UAWRPKUUHQPXEX-VXNVDRBHSA-N -2 3 365.411 1.517 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000048820934 957463125 /nfs/dbraw/zinc/46/31/25/957463125.db2.gz UVJLFQTXXZADCD-UHFFFAOYSA-N -2 3 360.189 1.349 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)ccc1O ZINC001260398763 960720693 /nfs/dbraw/zinc/72/06/93/960720693.db2.gz XNCMAUUEZIAAFI-UHFFFAOYSA-N -2 3 374.378 1.531 20 0 FDADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)CC(=O)[O-] ZINC000776626580 967696482 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FDADHL Cn1c2cc([O-])c(NC(=O)Cc3ccccc3C(=O)[O-])cc2n(C)c1=O ZINC001605467155 973570872 /nfs/dbraw/zinc/57/08/72/973570872.db2.gz DHFZMROEVHPYKU-UHFFFAOYSA-N -2 3 355.350 1.462 20 0 FDADHL O=C([O-])COCC(=O)Nc1ccc(I)cc1[O-] ZINC001606274446 973655583 /nfs/dbraw/zinc/65/55/83/973655583.db2.gz IROGEGPAHNAPLP-UHFFFAOYSA-N -2 3 351.096 1.037 20 0 FDADHL O=C(NCCCCP(=O)([O-])[O-])c1ncccc1OCC(F)(F)F ZINC001198955651 973736524 /nfs/dbraw/zinc/73/65/24/973736524.db2.gz AISOFIKZGROKAJ-UHFFFAOYSA-N -2 3 356.237 1.710 20 0 FDADHL COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc(OC)c1[O-] ZINC001604691736 973887796 /nfs/dbraw/zinc/88/77/96/973887796.db2.gz NEDWXYCWAVWERA-ZDUSSCGKSA-N -2 3 361.350 1.541 20 0 FDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])nn1Cc1ccccn1 ZINC001199661678 974444811 /nfs/dbraw/zinc/44/48/11/974444811.db2.gz DQIIBJJPKBNKSI-UHFFFAOYSA-N -2 3 352.331 1.323 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccc1F ZINC001591668941 975426391 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372.218 1.350 20 0 FDADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001592445411 978112769 /nfs/dbraw/zinc/11/27/69/978112769.db2.gz MFVUJVWTGBSPFV-ZETCQYMHSA-N -3 3 365.354 1.831 20 0 FDADHL C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592458881 978174895 /nfs/dbraw/zinc/17/48/95/978174895.db2.gz HACMJVOHZCUPSY-ONGXEEELSA-N -2 3 356.425 1.632 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[S@@](C)=O ZINC001592519488 978362309 /nfs/dbraw/zinc/36/23/09/978362309.db2.gz HNWCPFHSNQFUIE-MWAODPMSSA-N -2 3 371.839 1.613 20 0 FDADHL C[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001592529081 978383909 /nfs/dbraw/zinc/38/39/09/978383909.db2.gz LOKTZFSFGIASOE-LURJTMIESA-N -2 3 370.196 1.336 20 0 FDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776617830 978760473 /nfs/dbraw/zinc/76/04/73/978760473.db2.gz ZWYGUZQALSOHOO-CABZTGNLSA-N -2 3 361.391 1.780 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)cc1C(=O)[O-] ZINC000833026953 979070153 /nfs/dbraw/zinc/07/01/53/979070153.db2.gz LSPZTIHAAWMNEA-UHFFFAOYSA-N -2 3 364.339 1.210 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c1F ZINC000776562004 979248931 /nfs/dbraw/zinc/24/89/31/979248931.db2.gz CAPUTWOJABSVAW-MRVPVSSYSA-N -2 3 365.354 1.387 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001595169971 979730637 /nfs/dbraw/zinc/73/06/37/979730637.db2.gz GXLKQCWCZDNPJS-SNVBAGLBSA-N -2 3 361.416 1.932 20 0 FDADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1-c1nnn[n-]1 ZINC000826267719 980625655 /nfs/dbraw/zinc/62/56/55/980625655.db2.gz RXKOQJOLMCFAKJ-UHFFFAOYSA-N -2 3 353.795 1.661 20 0 FDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)(F)F ZINC000903510747 980965128 /nfs/dbraw/zinc/96/51/28/980965128.db2.gz KDJJQKBACBZWGI-QMMMGPOBSA-N -2 3 356.322 1.283 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)nc1Cl ZINC000826362395 982601626 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ZINC000421810768 538406567 /nfs/dbraw/zinc/40/65/67/538406567.db2.gz XXGDURBOQTVMNN-BDAKNGLRSA-N -2 3 374.390 1.083 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000466352081 538534372 /nfs/dbraw/zinc/53/43/72/538534372.db2.gz FXQGCZSNEJQVNB-UHFFFAOYSA-N -2 3 363.395 1.662 20 0 FDADHL Cn1[n-]c(=NC(=O)N=c2ncn(C3CCCCC3)[n-]2)cc1OC(F)F ZINC000562260573 546070856 /nfs/dbraw/zinc/07/08/56/546070856.db2.gz QRFDYEGCGSEWOE-UHFFFAOYSA-N -2 3 355.349 1.606 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000563653271 546632499 /nfs/dbraw/zinc/63/24/99/546632499.db2.gz YBLWWSQZCXPZJY-LBPRGKRZSA-N -2 3 369.345 1.945 20 0 FDADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1 ZINC000564553763 546951165 /nfs/dbraw/zinc/95/11/65/546951165.db2.gz ITGWCAZWKLGONW-UHFFFAOYSA-N -2 3 351.380 1.486 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1 ZINC000564840686 547061687 /nfs/dbraw/zinc/06/16/87/547061687.db2.gz UIFARRDDDBBHPS-JTQLQIEISA-N -2 3 361.391 1.782 20 0 FDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000564929540 547111590 /nfs/dbraw/zinc/11/15/90/547111590.db2.gz OSMHUKCWTCULAW-NSHDSACASA-N -2 3 356.322 1.259 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC000565358757 547319165 /nfs/dbraw/zinc/31/91/65/547319165.db2.gz JCGWMUQZHBTWDN-NOZJJQNGSA-N -2 3 363.457 1.487 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000565446912 547352647 /nfs/dbraw/zinc/35/26/47/547352647.db2.gz XQBYZPUXKSAAAX-AWEZNQCLSA-N -2 3 367.354 1.717 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000565827174 547496790 /nfs/dbraw/zinc/49/67/90/547496790.db2.gz ISWYCRAFEJJJBK-MRVPVSSYSA-N -2 3 373.761 1.709 20 0 FDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000565831178 547499380 /nfs/dbraw/zinc/49/93/80/547499380.db2.gz IHBBFJLWBRRFLE-LLVKDONJSA-N -2 3 356.425 1.286 20 0 FDADHL COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000566617855 547828534 /nfs/dbraw/zinc/82/85/34/547828534.db2.gz MWHBHYCEFIKUOC-UHFFFAOYSA-N -2 3 355.368 1.734 20 0 FDADHL Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000567609541 548179863 /nfs/dbraw/zinc/17/98/63/548179863.db2.gz OZDJWMLYVZIWDL-SNVBAGLBSA-N -2 3 356.425 1.896 20 0 FDADHL COc1ccccc1[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1noc(C)n1 ZINC000567797795 548262870 /nfs/dbraw/zinc/26/28/70/548262870.db2.gz BDGYATBITWIEBI-AWEZNQCLSA-N -2 3 369.399 1.260 20 0 FDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)C(C)C ZINC000567799621 548264092 /nfs/dbraw/zinc/26/40/92/548264092.db2.gz XCSCIOUNNRIXFB-LLVKDONJSA-N -2 3 365.835 1.732 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1OC ZINC000569008982 548766916 /nfs/dbraw/zinc/76/69/16/548766916.db2.gz WEORZSLRFLEGKF-OAHLLOKOSA-N -2 3 366.395 1.593 20 0 FDADHL Cc1nc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(F)c2)cn1C ZINC000569336956 548879851 /nfs/dbraw/zinc/87/98/51/548879851.db2.gz UXIUOLPPGRXSCE-OAHLLOKOSA-N -2 3 355.391 1.536 20 0 FDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)cn1C ZINC000569550255 548956705 /nfs/dbraw/zinc/95/67/05/548956705.db2.gz KFXQLACIRWZOTM-ZDUSSCGKSA-N -2 3 351.428 1.690 20 0 FDADHL COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)CC1 ZINC000570089144 549155433 /nfs/dbraw/zinc/15/54/33/549155433.db2.gz WSEWESSDJRWXPM-UHFFFAOYSA-N -2 3 361.391 1.628 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCc3ccccc32)C(=O)[O-])o1 ZINC000570400696 549265997 /nfs/dbraw/zinc/26/59/97/549265997.db2.gz CXRSBLRLBGQSGW-AWEZNQCLSA-N -2 3 364.423 1.772 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CC1 ZINC000570753659 549397601 /nfs/dbraw/zinc/39/76/01/549397601.db2.gz VUCIKXMOINZXTF-JTQLQIEISA-N -2 3 357.281 1.866 20 0 FDADHL Cc1nc(C)c(CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(=O)[n-]1 ZINC000571641666 549717487 /nfs/dbraw/zinc/71/74/87/549717487.db2.gz LTXIRLSDZJWFHN-HNNXBMFYSA-N -2 3 357.410 1.934 20 0 FDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000571763133 549755167 /nfs/dbraw/zinc/75/51/67/549755167.db2.gz ZYLCYSWQDVFUKB-WDEREUQCSA-N -2 3 361.441 1.012 20 0 FDADHL COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000572360794 549897328 /nfs/dbraw/zinc/89/73/28/549897328.db2.gz KYDUTNVYPJNVKQ-UHFFFAOYSA-N -2 3 371.367 1.482 20 0 FDADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccoc2)c(OC)c1 ZINC000573203401 550086396 /nfs/dbraw/zinc/08/63/96/550086396.db2.gz DUWIBASDHDQKCM-CYBMUJFWSA-N -2 3 355.368 1.791 20 0 FDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000573320680 550110975 /nfs/dbraw/zinc/11/09/75/550110975.db2.gz FCBMWELOKIHRRA-RYUDHWBXSA-N -2 3 373.337 1.195 20 0 FDADHL CSC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCOCC1 ZINC000573798505 550212845 /nfs/dbraw/zinc/21/28/45/550212845.db2.gz KHYOMXWLQLHKNY-UHFFFAOYSA-N -2 3 352.459 1.032 20 0 FDADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000574389653 550305987 /nfs/dbraw/zinc/30/59/87/550305987.db2.gz DCGOLOMTIFVGCZ-VIFPVBQESA-N -2 3 365.404 1.090 20 0 FDADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000576809717 550588222 /nfs/dbraw/zinc/58/82/22/550588222.db2.gz UPZLJESFAOGLLI-UHFFFAOYSA-N -2 3 352.453 1.910 20 0 FDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4[nH]c(=O)oc43)ccc21 ZINC000576995104 550608640 /nfs/dbraw/zinc/60/86/40/550608640.db2.gz MMXNXLNDGCPXKP-UHFFFAOYSA-N -2 3 359.319 1.218 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O ZINC000577175412 550628423 /nfs/dbraw/zinc/62/84/23/550628423.db2.gz WPIASYPKLOBBOZ-SECBINFHSA-N -2 3 363.407 1.608 20 0 FDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1 ZINC000579236694 550850955 /nfs/dbraw/zinc/85/09/55/550850955.db2.gz HCIDWLBVZRPNEE-LLVKDONJSA-N -2 3 361.391 1.306 20 0 FDADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000580332982 550968390 /nfs/dbraw/zinc/96/83/90/550968390.db2.gz LSFBUKRHKPSMJZ-MRVPVSSYSA-N -2 3 372.624 1.216 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)[O-])O3)s1 ZINC000581308671 551074647 /nfs/dbraw/zinc/07/46/47/551074647.db2.gz ZHCWJAQMZCJPOQ-GFCCVEGCSA-N -2 3 354.409 1.318 20 0 FDADHL COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c1 ZINC000582462545 551227173 /nfs/dbraw/zinc/22/71/73/551227173.db2.gz YIMWKCRFERQMFT-UHFFFAOYSA-N -2 3 366.233 1.989 20 0 FDADHL COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000583022180 551292368 /nfs/dbraw/zinc/29/23/68/551292368.db2.gz XZUAHVOKYPCUCB-VIFPVBQESA-N -2 3 372.424 1.596 20 0 FDADHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000583967001 551427708 /nfs/dbraw/zinc/42/77/08/551427708.db2.gz GAWJMONMNDDZPN-UHFFFAOYSA-N -2 3 350.396 1.263 20 0 FDADHL COC[C@H]([N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C)o1 ZINC000583992184 551431484 /nfs/dbraw/zinc/43/14/84/551431484.db2.gz UTULGRJVUMDGNF-AWEZNQCLSA-N -2 3 353.396 1.881 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000584745902 551540950 /nfs/dbraw/zinc/54/09/50/551540950.db2.gz XAFYHRZZROPVFD-SSDOTTSWSA-N -2 3 369.342 1.263 20 0 FDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000584745906 551540995 /nfs/dbraw/zinc/54/09/95/551540995.db2.gz XAFYHRZZROPVFD-ZETCQYMHSA-N -2 3 369.342 1.263 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)c[n-]1 ZINC000585730158 551588630 /nfs/dbraw/zinc/58/86/30/551588630.db2.gz AJZIKBNTCJEFJD-UHFFFAOYSA-N -2 3 371.346 1.313 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)[n-]1 ZINC000585730158 551588633 /nfs/dbraw/zinc/58/86/33/551588633.db2.gz AJZIKBNTCJEFJD-UHFFFAOYSA-N -2 3 371.346 1.313 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c[n-]1 ZINC000600666778 553296524 /nfs/dbraw/zinc/29/65/24/553296524.db2.gz DSZYLOFTLKLWIY-LBPRGKRZSA-N -2 3 371.390 1.855 20 0 FDADHL Cc1cc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614092760 555008544 /nfs/dbraw/zinc/00/85/44/555008544.db2.gz GWUKLVRSITXFML-CMPLNLGQSA-N -2 3 361.377 1.003 20 0 FDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Br)c(F)cc1[O-] ZINC000614913688 555136149 /nfs/dbraw/zinc/13/61/49/555136149.db2.gz BCZIZPPRWHXSQL-UHFFFAOYSA-N -2 3 358.167 1.680 20 0 FDADHL Cc1cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000618989366 555705127 /nfs/dbraw/zinc/70/51/27/555705127.db2.gz NXUIKFJHGLAZCF-LBPRGKRZSA-N -2 3 359.430 1.595 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c(=O)[n-]1 ZINC000622612354 556268552 /nfs/dbraw/zinc/26/85/52/556268552.db2.gz VDZPZLOLLRIXGB-HNNXBMFYSA-N -2 3 353.386 1.151 20 0 FDADHL Cc1nc(C)c(CCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(=O)[n-]1 ZINC000622612354 556268553 /nfs/dbraw/zinc/26/85/53/556268553.db2.gz VDZPZLOLLRIXGB-HNNXBMFYSA-N -2 3 353.386 1.151 20 0 FDADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000629337738 557768413 /nfs/dbraw/zinc/76/84/13/557768413.db2.gz CXKQFDNYUOPIMX-RKDXNWHRSA-N -2 3 353.849 1.950 20 0 FDADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)[O-] 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FDADHL O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449949 985526981 /nfs/dbraw/zinc/52/69/81/985526981.db2.gz QEQCGYKVVKWECN-UHFFFAOYSA-N -2 3 370.394 1.242 20 0 FDADHL O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449949 985526995 /nfs/dbraw/zinc/52/69/95/985526995.db2.gz QEQCGYKVVKWECN-UHFFFAOYSA-N -2 3 370.394 1.242 20 0 FDADHL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC001599948968 985574883 /nfs/dbraw/zinc/57/48/83/985574883.db2.gz UOESQDSWLDRNBD-QMMMGPOBSA-N -3 3 366.399 1.370 20 0 FDADHL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC001599948968 985574890 /nfs/dbraw/zinc/57/48/90/985574890.db2.gz UOESQDSWLDRNBD-QMMMGPOBSA-N -3 3 366.399 1.370 20 0 FDADHL CCOc1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC001596999473 986307558 /nfs/dbraw/zinc/30/75/58/986307558.db2.gz XYANVRRBNMWUMM-NSHDSACASA-N -2 3 356.806 1.533 20 0 FDADHL CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001594715625 987187631 /nfs/dbraw/zinc/18/76/31/987187631.db2.gz RMPGLHPJYBGHSU-UHFFFAOYSA-N -2 3 353.356 1.200 20 0 FDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001597324891 987458713 /nfs/dbraw/zinc/45/87/13/987458713.db2.gz VNHOIVADMHEOFB-AAEUAGOBSA-N -2 3 363.476 1.917 20 0 FDADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2OC)on1 ZINC001597478720 987964456 /nfs/dbraw/zinc/96/44/56/987964456.db2.gz TVYAMLUDWCOVCW-UHFFFAOYSA-N -2 3 358.347 1.561 20 0 FDADHL CCc1ccc(C(=O)N2[C@H](C(=O)NCCC(=O)[O-])CS[C@H]2C)c([O-])c1 ZINC001597498855 988049066 /nfs/dbraw/zinc/04/90/66/988049066.db2.gz PZQLQRKAZCVDSG-GWCFXTLKSA-N -2 3 366.439 1.449 20 0 FDADHL CC(C)(CCC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001590658015 990358187 /nfs/dbraw/zinc/35/81/87/990358187.db2.gz QXSDEHHBTKUTEY-UHFFFAOYSA-N -2 3 363.345 1.247 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@@H](O)C(=O)[O-] ZINC001590879175 990791327 /nfs/dbraw/zinc/79/13/27/990791327.db2.gz OFUOYPCABVTMCX-VIFPVBQESA-N -2 3 370.196 1.091 20 0 FDADHL COc1cccc2c(C(=O)O[C@@H]3CCCN(CCC(=O)[O-])C3=O)n[n-]c21 ZINC001599689915 991050870 /nfs/dbraw/zinc/05/08/70/991050870.db2.gz WHEQHUGKPICLFA-GFCCVEGCSA-N -2 3 361.354 1.194 20 0 FDADHL COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599702288 991238124 /nfs/dbraw/zinc/23/81/24/991238124.db2.gz KXHNKBCWVKLPSK-SWLSCSKDSA-N -2 3 368.436 1.858 20 0 FDADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001599703922 991264016 /nfs/dbraw/zinc/26/40/16/991264016.db2.gz MNMVFDVOOSPKSL-UHFFFAOYSA-N -2 3 365.411 1.435 20 0 FDADHL COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599717025 991473580 /nfs/dbraw/zinc/47/35/80/991473580.db2.gz WAEIARIJXOJWOR-LLVKDONJSA-N -2 3 369.395 1.980 20 0 FDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599760076 992108742 /nfs/dbraw/zinc/10/87/42/992108742.db2.gz LCUBEPFXWQIQLT-GHMZBOCLSA-N -2 3 372.418 1.704 20 0 FDADHL C[C@]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)(C(=O)[O-])C1CC1 ZINC001593330575 994894996 /nfs/dbraw/zinc/89/49/96/994894996.db2.gz KRRYEGBLSRWXLW-GFCCVEGCSA-N -2 3 361.832 1.876 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593347054 994952418 /nfs/dbraw/zinc/95/24/18/994952418.db2.gz AHNRQZADXARVLL-BYPYZUCNSA-N -3 3 363.398 1.036 20 0 FDADHL COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC001598687022 995011568 /nfs/dbraw/zinc/01/15/68/995011568.db2.gz DCHSFVNMKUILFM-MRXNPFEDSA-N -2 3 366.395 1.090 20 0 FDADHL C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001593440519 995287172 /nfs/dbraw/zinc/28/71/72/995287172.db2.gz FFQDYQMTUFDBJH-NTSWFWBYSA-N -2 3 372.262 1.647 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1cccc2ccccc21 ZINC001598709575 995331471 /nfs/dbraw/zinc/33/14/71/995331471.db2.gz PWFXPVPHKRWWDY-MRXNPFEDSA-N -2 3 365.407 1.838 20 0 FDADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001599514428 997357400 /nfs/dbraw/zinc/35/74/00/997357400.db2.gz SIHDLQCEGWRWAH-AWEZNQCLSA-N -2 3 368.353 1.216 20 0 FDADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001599514428 997357413 /nfs/dbraw/zinc/35/74/13/997357413.db2.gz SIHDLQCEGWRWAH-AWEZNQCLSA-N -2 3 368.353 1.216 20 0 FDADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC(=O)N1 ZINC001594027006 997567161 /nfs/dbraw/zinc/56/71/61/997567161.db2.gz AOUPJYZAUVWDQM-ZDUSSCGKSA-N -2 3 364.782 1.124 20 0 FDADHL COc1ccc([C@H](NCc2cc(=O)[n-]c(C3CC3)n2)C(=O)[O-])c(OC)c1 ZINC001599531230 997656099 /nfs/dbraw/zinc/65/60/99/997656099.db2.gz INYJCQRTUHCGKL-INIZCTEOSA-N -2 3 359.382 1.992 20 0 FDADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)CCO2 ZINC001599327409 997688424 /nfs/dbraw/zinc/68/84/24/997688424.db2.gz MIWIZQDVKKCSNO-CVEARBPZSA-N -2 3 355.412 1.490 20 0 FDADHL COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599534076 997710584 /nfs/dbraw/zinc/71/05/84/997710584.db2.gz MGNCBLJYXSWECW-CYBMUJFWSA-N -2 3 355.368 1.307 20 0 FDADHL COc1c2ccccc2oc1C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599333987 997798845 /nfs/dbraw/zinc/79/88/45/997798845.db2.gz TWYBBGWWENVEST-UHFFFAOYSA-N -2 3 365.367 1.650 20 0 FDADHL COc1cc2[n-]cc(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])c(=O)c2c(OC)c1 ZINC001599448734 998054290 /nfs/dbraw/zinc/05/42/90/998054290.db2.gz DOVUKBRKDGPHEA-GXFFZTMASA-N -2 3 374.393 1.919 20 0 FDADHL COc1cc(OC)nc(C(=O)[N-]c2c(F)c(OC)ccc2C(=O)[O-])n1 ZINC001599454788 998169896 /nfs/dbraw/zinc/16/98/96/998169896.db2.gz CJCARIHYFSIAPO-UHFFFAOYSA-N -2 3 351.290 1.592 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])c1 ZINC001598977419 998616853 /nfs/dbraw/zinc/61/68/53/998616853.db2.gz XFTOMHNRESIELU-UHFFFAOYSA-N -2 3 357.315 1.382 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001599056396 999233096 /nfs/dbraw/zinc/23/30/96/999233096.db2.gz WBJIXQWMWHMOPP-JTQLQIEISA-N -2 3 360.388 1.646 20 0 FDADHL CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001599056947 999236979 /nfs/dbraw/zinc/23/69/79/999236979.db2.gz QFMPMHLEDIIXQO-LBPRGKRZSA-N -2 3 358.347 1.319 20 0 FDADHL CCC1CCC(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)(C(=O)[O-])CC1 ZINC000263006354 178844952 /nfs/dbraw/zinc/84/49/52/178844952.db2.gz VXTXXAHXMIPEPL-UHFFFAOYSA-N -2 3 372.443 1.650 20 0 FDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c1 ZINC000267331575 179813303 /nfs/dbraw/zinc/81/33/03/179813303.db2.gz JGAGUEOIDMXRJN-LBPRGKRZSA-N -2 3 361.391 1.388 20 0 FDADHL COCCCn1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)n1 ZINC000268776918 180158396 /nfs/dbraw/zinc/15/83/96/180158396.db2.gz OBJMPDWGDMOACK-UHFFFAOYSA-N -2 3 368.415 1.384 20 0 FDADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000530136242 539890629 /nfs/dbraw/zinc/89/06/29/539890629.db2.gz AOGJUIQUCUBYBR-UHFFFAOYSA-N -2 3 355.290 1.489 20 0 FDADHL COc1cccc([C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])OC)c1 ZINC000530148218 539894734 /nfs/dbraw/zinc/89/47/34/539894734.db2.gz CRMAGFNQCYNXTA-LLVKDONJSA-N -2 3 372.424 1.516 20 0 FDADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)OC)c1 ZINC000530150108 539896449 /nfs/dbraw/zinc/89/64/49/539896449.db2.gz SJKCRJJEAMKIKC-ZDUSSCGKSA-N -2 3 355.368 1.652 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@@]2(C)COc3ccccc3O2)cc1C(=O)[O-] ZINC000530151926 539898062 /nfs/dbraw/zinc/89/80/62/539898062.db2.gz QNXOJKREJMIKEL-INIZCTEOSA-N -2 3 367.379 1.795 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530367589 539952950 /nfs/dbraw/zinc/95/29/50/539952950.db2.gz QCTLTLHESPEXNT-GFCCVEGCSA-N -2 3 359.375 1.534 20 0 FDADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000530368141 539953691 /nfs/dbraw/zinc/95/36/91/539953691.db2.gz SIHIGNIBCHEGJV-SNVBAGLBSA-N -2 3 374.802 1.696 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000530542209 539997624 /nfs/dbraw/zinc/99/76/24/539997624.db2.gz JPTLCWDNVHRPPX-MRVPVSSYSA-N -2 3 356.227 1.903 20 0 FDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(C(=O)[O-])c1 ZINC000274879468 181184277 /nfs/dbraw/zinc/18/42/77/181184277.db2.gz CKZWMXLHNNSKGW-LBPRGKRZSA-N -2 3 356.400 1.654 20 0 FDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000274926517 181196663 /nfs/dbraw/zinc/19/66/63/181196663.db2.gz CEKGYHYHRBHEDH-JTQLQIEISA-N -2 3 366.361 1.321 20 0 FDADHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000274935641 181199866 /nfs/dbraw/zinc/19/98/66/181199866.db2.gz DBYZUSUEICRKAQ-UHFFFAOYSA-N -2 3 360.276 1.607 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000532848432 540190551 /nfs/dbraw/zinc/19/05/51/540190551.db2.gz RYIYQXPTOHFHIZ-CQSZACIVSA-N -2 3 366.424 1.307 20 0 FDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])s2)cs1 ZINC000274956292 181205101 /nfs/dbraw/zinc/20/51/01/181205101.db2.gz UFFSZIOUZJADNW-MRVPVSSYSA-N -2 3 362.454 1.294 20 0 FDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000274964300 181207578 /nfs/dbraw/zinc/20/75/78/181207578.db2.gz VKCNXPUWOYGSIJ-ZCFIWIBFSA-N -2 3 370.196 1.596 20 0 FDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000274995678 181214461 /nfs/dbraw/zinc/21/44/61/181214461.db2.gz AAQASWVVVXIDHH-SSDOTTSWSA-N -2 3 359.148 1.231 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])s1 ZINC000275075072 181231628 /nfs/dbraw/zinc/23/16/28/181231628.db2.gz LZVTZJJBOSZPEH-LBPRGKRZSA-N -2 3 356.425 1.440 20 0 FDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000275355117 181297902 /nfs/dbraw/zinc/29/79/02/181297902.db2.gz WVOITSGQVGDTFQ-LURJTMIESA-N -2 3 369.243 1.129 20 0 FDADHL O=C(CN1CC(=O)[N-]C1=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534940701 540429119 /nfs/dbraw/zinc/42/91/19/540429119.db2.gz SZFIFOINVKHKHW-UHFFFAOYSA-N -2 3 362.567 1.298 20 0 FDADHL C[C@]1(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000536411506 540590690 /nfs/dbraw/zinc/59/06/90/540590690.db2.gz ZBNOVHHRSNYPNR-GOSISDBHSA-N -2 3 353.334 1.692 20 0 FDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)c1 ZINC000539399227 540955300 /nfs/dbraw/zinc/95/53/00/540955300.db2.gz JRIMSKXTBITOGH-UHFFFAOYSA-N -2 3 351.384 1.370 20 0 FDADHL CCOC(=O)c1ccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c([O-])c1 ZINC000539972798 541015023 /nfs/dbraw/zinc/01/50/23/541015023.db2.gz RPLJYTBKTFUHDM-UHFFFAOYSA-N -2 3 368.367 1.322 20 0 FDADHL COc1ccccc1C[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000540669401 541086773 /nfs/dbraw/zinc/08/67/73/541086773.db2.gz IFHWZSUBYLYJNK-ZDUSSCGKSA-N -2 3 354.366 1.640 20 0 FDADHL O=C([O-])CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000540703609 541090047 /nfs/dbraw/zinc/09/00/47/541090047.db2.gz KTAHCIFRDQNLTN-UHFFFAOYSA-N -2 3 368.436 1.682 20 0 FDADHL CO[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000540983439 541130745 /nfs/dbraw/zinc/13/07/45/541130745.db2.gz OGTGFKKRWQLQQD-ZETCQYMHSA-N -2 3 370.196 1.356 20 0 FDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cccc3nonc32)(C(=O)[O-])C1(C)C ZINC000275658781 181379560 /nfs/dbraw/zinc/37/95/60/181379560.db2.gz OQJAUISTRQARGO-IAQYHMDHSA-N -2 3 369.399 1.160 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)o1 ZINC000544924173 541855171 /nfs/dbraw/zinc/85/51/71/541855171.db2.gz FNJHZJSLTFGUHV-UHFFFAOYSA-N -2 3 360.775 1.578 20 0 FDADHL C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000298116300 184395872 /nfs/dbraw/zinc/39/58/72/184395872.db2.gz QCWXGAIQJJGQED-TXEJJXNPSA-N -2 3 374.434 1.302 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1C ZINC000547546509 542369499 /nfs/dbraw/zinc/36/94/99/542369499.db2.gz XVSGHNFKUBJSJS-UHFFFAOYSA-N -2 3 372.786 1.964 20 0 FDADHL Cc1cc(CS(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)on1 ZINC000547563707 542376188 /nfs/dbraw/zinc/37/61/88/542376188.db2.gz WIJOEQRAUIKULA-UHFFFAOYSA-N -2 3 351.384 1.573 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)oc1C ZINC000547573242 542379308 /nfs/dbraw/zinc/37/93/08/542379308.db2.gz LUDPCXHFDOGNCH-UHFFFAOYSA-N -2 3 360.369 1.008 20 0 FDADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000547554658 542372367 /nfs/dbraw/zinc/37/23/67/542372367.db2.gz VWAFYIIVGWZLLZ-SECBINFHSA-N -3 3 356.381 1.016 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000547556551 542373508 /nfs/dbraw/zinc/37/35/08/542373508.db2.gz XXWFOUHXPKSSSL-LDYMZIIASA-N -2 3 353.318 1.473 20 0 FDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c1 ZINC000547874387 542471787 /nfs/dbraw/zinc/47/17/87/542471787.db2.gz BSTOISUHJPLSNG-CYBMUJFWSA-N -2 3 366.443 1.156 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000547878384 542474077 /nfs/dbraw/zinc/47/40/77/542474077.db2.gz YQFDZMHEFFMRCD-WRWORJQWSA-N -2 3 371.308 1.613 20 0 FDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000547885624 542476613 /nfs/dbraw/zinc/47/66/13/542476613.db2.gz UPRNMYIVATYMDH-DOMZBBRYSA-N -2 3 374.484 1.696 20 0 FDADHL COc1cc(C[C@H]([N-]S(=O)(=O)c2cccs2)C(=O)[O-])cc(OC)c1 ZINC000548201883 542583571 /nfs/dbraw/zinc/58/35/71/542583571.db2.gz 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DXZSENSUMDSCKR-UHFFFAOYSA-N -2 3 363.424 1.231 20 0 FDADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000822486645 599234361 /nfs/dbraw/zinc/23/43/61/599234361.db2.gz RGVZYHHRUCIOTE-UHFFFAOYSA-N -2 3 362.419 1.457 20 0 FDADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822486645 599234363 /nfs/dbraw/zinc/23/43/63/599234363.db2.gz RGVZYHHRUCIOTE-UHFFFAOYSA-N -2 3 362.419 1.457 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-] ZINC000760118504 597145259 /nfs/dbraw/zinc/14/52/59/597145259.db2.gz VZLXNSQGUDVMLU-LLVKDONJSA-N -2 3 357.819 1.356 20 0 FDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339438 599286414 /nfs/dbraw/zinc/28/64/14/599286414.db2.gz MZTCRDXCDGRQJH-UHFFFAOYSA-N -2 3 364.412 1.197 20 0 FDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339438 599286415 /nfs/dbraw/zinc/28/64/15/599286415.db2.gz MZTCRDXCDGRQJH-UHFFFAOYSA-N -2 3 364.412 1.197 20 0 FDADHL Cc1nn2c(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n[n-]c2nc1=O ZINC000737524366 599290499 /nfs/dbraw/zinc/29/04/99/599290499.db2.gz YLDBKKHBDRZXNL-QMMMGPOBSA-N -2 3 355.387 1.154 20 0 FDADHL Cc1nn2c(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)n[n-]c2nc1=O ZINC000737524366 599290501 /nfs/dbraw/zinc/29/05/01/599290501.db2.gz YLDBKKHBDRZXNL-QMMMGPOBSA-N -2 3 355.387 1.154 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1(C(F)(F)F)CC1 ZINC000738138634 598307784 /nfs/dbraw/zinc/30/77/84/598307784.db2.gz HFBDZVQHPJDIJE-UHFFFAOYSA-N -2 3 361.305 1.014 20 0 FDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1(C(F)(F)F)CC1 ZINC000738138634 598307786 /nfs/dbraw/zinc/30/77/86/598307786.db2.gz HFBDZVQHPJDIJE-UHFFFAOYSA-N -2 3 361.305 1.014 20 0 FDADHL O=S(=O)([N-]Cc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000738338085 598312752 /nfs/dbraw/zinc/31/27/52/598312752.db2.gz JZEJURDGUVUGMH-UHFFFAOYSA-N -2 3 369.328 1.763 20 0 FDADHL CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736440582 598414663 /nfs/dbraw/zinc/41/46/63/598414663.db2.gz FFWYEZDACFZSIM-UHFFFAOYSA-N -2 3 357.823 1.905 20 0 FDADHL CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736440582 598414665 /nfs/dbraw/zinc/41/46/65/598414665.db2.gz FFWYEZDACFZSIM-UHFFFAOYSA-N -2 3 357.823 1.905 20 0 FDADHL CCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000736635530 598420590 /nfs/dbraw/zinc/42/05/90/598420590.db2.gz WFBHTFJCKIFHFX-UHFFFAOYSA-N -2 3 363.403 1.108 20 0 FDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000736635530 598420592 /nfs/dbraw/zinc/42/05/92/598420592.db2.gz WFBHTFJCKIFHFX-UHFFFAOYSA-N -2 3 363.403 1.108 20 0 FDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737823510 598734523 /nfs/dbraw/zinc/73/45/23/598734523.db2.gz HZTNFRNUVMPWQO-GFCCVEGCSA-N -2 3 365.415 1.021 20 0 FDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737823510 598734525 /nfs/dbraw/zinc/73/45/25/598734525.db2.gz HZTNFRNUVMPWQO-GFCCVEGCSA-N -2 3 365.415 1.021 20 0 FDADHL CSCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737181154 599516815 /nfs/dbraw/zinc/51/68/15/599516815.db2.gz KZJZAYVHPJUAEW-UHFFFAOYSA-N -2 3 355.445 1.123 20 0 FDADHL CSCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737181154 599516817 /nfs/dbraw/zinc/51/68/17/599516817.db2.gz KZJZAYVHPJUAEW-UHFFFAOYSA-N -2 3 355.445 1.123 20 0 FDADHL Cn1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000737613332 599560945 /nfs/dbraw/zinc/56/09/45/599560945.db2.gz OYMLGTSESJPQBR-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL Cn1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000737613332 599560946 /nfs/dbraw/zinc/56/09/46/599560946.db2.gz OYMLGTSESJPQBR-UHFFFAOYSA-N -2 3 373.320 1.420 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000740176498 599768359 /nfs/dbraw/zinc/76/83/59/599768359.db2.gz IZAYFIVVTRNVFE-UHFFFAOYSA-N -2 3 364.379 1.583 20 0 FDADHL COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737697661 599768945 /nfs/dbraw/zinc/76/89/45/599768945.db2.gz QEHILUYFCKIAQQ-UHFFFAOYSA-N -2 3 353.352 1.285 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)o1 ZINC000740177128 599769465 /nfs/dbraw/zinc/76/94/65/599769465.db2.gz FGWCRGQVKREFRE-UHFFFAOYSA-N -2 3 355.759 1.757 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ncnc3sccc32)o1 ZINC000740176422 599771554 /nfs/dbraw/zinc/77/15/54/599771554.db2.gz BKOTYQDUALNCHQ-UHFFFAOYSA-N -2 3 368.396 1.373 20 0 FDADHL COc1ccc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000737993771 599774422 /nfs/dbraw/zinc/77/44/22/599774422.db2.gz WNLGEQMZPZVPNN-UHFFFAOYSA-N -2 3 369.395 1.906 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)Cc1cccc(F)c1 ZINC000739404630 599984115 /nfs/dbraw/zinc/98/41/15/599984115.db2.gz YNKIMNZOMFEQCQ-GFCCVEGCSA-N -2 3 370.336 1.383 20 0 FDADHL CCc1[nH]c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)c1C(=O)[O-] ZINC000737244334 600165103 /nfs/dbraw/zinc/16/51/03/600165103.db2.gz MVOHSQTWOYJBGJ-UHFFFAOYSA-N -2 3 354.370 1.694 20 0 FDADHL CCc1[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)c1C(=O)[O-] ZINC000737244334 600165105 /nfs/dbraw/zinc/16/51/05/600165105.db2.gz MVOHSQTWOYJBGJ-UHFFFAOYSA-N -2 3 354.370 1.694 20 0 FDADHL O=C([O-])[C@@H](CNC(=O)c1cc2c(cc1[O-])OCO2)Cc1ccc(O)cc1 ZINC000739396161 600181020 /nfs/dbraw/zinc/18/10/20/600181020.db2.gz DUPNDKHEZAZHHB-LLVKDONJSA-N -2 3 359.334 1.500 20 0 FDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000739525920 600320197 /nfs/dbraw/zinc/32/01/97/600320197.db2.gz FCFKVSCERPCCKP-LSDHHAIUSA-N -2 3 372.421 1.710 20 0 FDADHL Cc1[nH]nc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1Br ZINC000738820510 600554725 /nfs/dbraw/zinc/55/47/25/600554725.db2.gz GKQAPSGBQOURSC-UHFFFAOYSA-N -2 3 374.220 1.992 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589421 607466901 /nfs/dbraw/zinc/46/69/01/607466901.db2.gz YUJVEEXVYLLBQM-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589421 607466903 /nfs/dbraw/zinc/46/69/03/607466903.db2.gz YUJVEEXVYLLBQM-UHFFFAOYSA-N -2 3 373.320 1.426 20 0 FDADHL COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831152163 601229429 /nfs/dbraw/zinc/22/94/29/601229429.db2.gz MAQXDRXWIQKQOD-UHFFFAOYSA-N -2 3 365.354 1.675 20 0 FDADHL CCCOC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829523352 601257455 /nfs/dbraw/zinc/25/74/55/601257455.db2.gz UUZHHIBJGIEHPK-UHFFFAOYSA-N -2 3 351.327 1.285 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)o1 ZINC000761665802 601272193 /nfs/dbraw/zinc/27/21/93/601272193.db2.gz TYRQDFRFKYOEGA-UHFFFAOYSA-N -2 3 356.331 1.586 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC000831034337 601358275 /nfs/dbraw/zinc/35/82/75/601358275.db2.gz WFSFXUWIEWHZEF-ZDUSSCGKSA-N -2 3 371.342 1.618 20 0 FDADHL CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000829823050 601395340 /nfs/dbraw/zinc/39/53/40/601395340.db2.gz QVSDKMOWPSNMBN-AWEZNQCLSA-N -2 3 355.412 1.536 20 0 FDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000828183562 601518144 /nfs/dbraw/zinc/51/81/44/601518144.db2.gz JBFDJYLLHSOZJL-OCCSQVGLSA-N -2 3 366.439 1.355 20 0 FDADHL O=C([O-])C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000833197638 601543294 /nfs/dbraw/zinc/54/32/94/601543294.db2.gz LHTDGWZRUVQWSQ-MRVPVSSYSA-N -2 3 366.848 1.049 20 0 FDADHL O=C([O-])c1cccc(-c2nc(CS(=O)(=O)c3nnc[n-]3)cs2)c1 ZINC000833326677 601605045 /nfs/dbraw/zinc/60/50/45/601605045.db2.gz SZQNJVPLOLKLTM-UHFFFAOYSA-N -2 3 350.381 1.600 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)C(=O)[O-] ZINC000832992965 601705872 /nfs/dbraw/zinc/70/58/72/601705872.db2.gz GPJRBUUYAKZTNE-UHFFFAOYSA-N -2 3 358.398 1.300 20 0 FDADHL CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000485855730 601750789 /nfs/dbraw/zinc/75/07/89/601750789.db2.gz BMYSKBCVVNGPDL-NSHDSACASA-N -2 3 369.374 1.548 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1nc(-c2ccncc2)no1 ZINC000827553879 601785624 /nfs/dbraw/zinc/78/56/24/601785624.db2.gz RDNNULCDVBDFQC-JQWIXIFHSA-N -2 3 368.415 1.469 20 0 FDADHL Cc1ccc(C(=O)NCCC(=O)N2CCC(CCC(=O)[O-])CC2)c([O-])c1 ZINC000663128779 601823427 /nfs/dbraw/zinc/82/34/27/601823427.db2.gz KDNVTKZFHPEWLY-UHFFFAOYSA-N -2 3 362.426 1.924 20 0 FDADHL CCn1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1C ZINC000825806871 607535415 /nfs/dbraw/zinc/53/54/15/607535415.db2.gz IANRSBDWLMIRQP-UHFFFAOYSA-N -2 3 361.431 1.809 20 0 FDADHL CCn1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C ZINC000825806871 607535416 /nfs/dbraw/zinc/53/54/16/607535416.db2.gz IANRSBDWLMIRQP-UHFFFAOYSA-N -2 3 361.431 1.809 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1-c1nnn[n-]1 ZINC000826303958 607536293 /nfs/dbraw/zinc/53/62/93/607536293.db2.gz OHGCSAVORIYGBM-UHFFFAOYSA-N -2 3 357.399 1.643 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1-c1nn[n-]n1 ZINC000826303958 607536295 /nfs/dbraw/zinc/53/62/95/607536295.db2.gz OHGCSAVORIYGBM-UHFFFAOYSA-N -2 3 357.399 1.643 20 0 FDADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000831189021 601988015 /nfs/dbraw/zinc/98/80/15/601988015.db2.gz OQYUMYHTFAEUJB-UHFFFAOYSA-N -2 3 365.363 1.607 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c(Br)o1 ZINC000055329686 602142785 /nfs/dbraw/zinc/14/27/85/602142785.db2.gz PKHBRWFOSBYEGV-ZETCQYMHSA-N -2 3 368.205 1.588 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nccs2)c(Br)o1 ZINC000055329711 602145245 /nfs/dbraw/zinc/14/52/45/602145245.db2.gz AQXXLIBTPPADRI-UHFFFAOYSA-N -2 3 367.202 1.675 20 0 FDADHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828432566 602210193 /nfs/dbraw/zinc/21/01/93/602210193.db2.gz NUOIVXHNZFYBDE-LDYMZIIASA-N -2 3 360.382 1.424 20 0 FDADHL C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827397236 602225735 /nfs/dbraw/zinc/22/57/35/602225735.db2.gz IQZHCMROZHJAEK-CABZTGNLSA-N -2 3 357.359 1.907 20 0 FDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[S@](C)=O ZINC000317230766 602225888 /nfs/dbraw/zinc/22/58/88/602225888.db2.gz UYAIVJCHLFXQII-SGWXMTNESA-N -2 3 355.384 1.098 20 0 FDADHL O=C([O-])Nc1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000740702941 602500860 /nfs/dbraw/zinc/50/08/60/602500860.db2.gz LSFPEMYWRWDWJK-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL O=C([O-])Nc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000740702941 602500862 /nfs/dbraw/zinc/50/08/62/602500862.db2.gz LSFPEMYWRWDWJK-UHFFFAOYSA-N -2 3 352.354 1.816 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000739784254 602787574 /nfs/dbraw/zinc/78/75/74/602787574.db2.gz MZHRMYCJJWLFOT-LLVKDONJSA-N -2 3 362.379 1.183 20 0 FDADHL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000739968136 602887754 /nfs/dbraw/zinc/88/77/54/602887754.db2.gz KLBXYEZOQVRGIQ-CQSZACIVSA-N -2 3 368.353 1.823 20 0 FDADHL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000739968136 602887757 /nfs/dbraw/zinc/88/77/57/602887757.db2.gz KLBXYEZOQVRGIQ-CQSZACIVSA-N -2 3 368.353 1.823 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000828700761 602952390 /nfs/dbraw/zinc/95/23/90/602952390.db2.gz ZBUAOAKFDPVTSB-RNCFNFMXSA-N -2 3 361.358 1.104 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)n[n-]1 ZINC000828700761 602952394 /nfs/dbraw/zinc/95/23/94/602952394.db2.gz ZBUAOAKFDPVTSB-RNCFNFMXSA-N -2 3 361.358 1.104 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830862131 603127300 /nfs/dbraw/zinc/12/73/00/603127300.db2.gz UEJCZDXTQBFVPD-IUCAKERBSA-N -2 3 350.828 1.097 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737691535 603238533 /nfs/dbraw/zinc/23/85/33/603238533.db2.gz PRJWXFWPPJTNND-SNVBAGLBSA-N -2 3 360.363 1.033 20 0 FDADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)n1 ZINC000739768128 603316515 /nfs/dbraw/zinc/31/65/15/603316515.db2.gz ILFOOJLZTGZUOB-NSHDSACASA-N -2 3 367.749 1.121 20 0 FDADHL COC(=O)Cc1nc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)n[n-]1 ZINC000739768128 603316519 /nfs/dbraw/zinc/31/65/19/603316519.db2.gz ILFOOJLZTGZUOB-NSHDSACASA-N -2 3 367.749 1.121 20 0 FDADHL O=C([O-])NCc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000832724622 603732333 /nfs/dbraw/zinc/73/23/33/603732333.db2.gz HUEQYTDKLIZWBR-UHFFFAOYSA-N -2 3 361.329 1.554 20 0 FDADHL CCc1cccc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1[O-] ZINC000827594402 603750054 /nfs/dbraw/zinc/75/00/54/603750054.db2.gz IDGBYGAQJVITQF-ZDUSSCGKSA-N -2 3 363.414 1.191 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCN2C(=O)[O-])ccc1F ZINC000828578721 603796853 /nfs/dbraw/zinc/79/68/53/603796853.db2.gz CSKVNULZMVKSOA-JTQLQIEISA-N -2 3 360.363 1.033 20 0 FDADHL Cc1sc2ncn([N-]C(=O)[C@]3(F)CCN(C(=O)[O-])C3)c(=O)c2c1C ZINC000830963184 603815090 /nfs/dbraw/zinc/81/50/90/603815090.db2.gz HKNJFZSBGXLFDJ-AWEZNQCLSA-N -2 3 354.363 1.237 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)nc1Cl ZINC000833054224 604409032 /nfs/dbraw/zinc/40/90/32/604409032.db2.gz SOPQVVIXMLNGIR-JTQLQIEISA-N -2 3 364.210 1.831 20 0 FDADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOC1 ZINC000161644915 604568658 /nfs/dbraw/zinc/56/86/58/604568658.db2.gz KSDFBFMJAOGYPW-SNVBAGLBSA-N -2 3 354.178 1.198 20 0 FDADHL O=C([O-])N1CCO[C@@H](CC(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000831392289 604707099 /nfs/dbraw/zinc/70/70/99/604707099.db2.gz ANNREEDFALTSNC-VIFPVBQESA-N -2 3 359.176 1.862 20 0 FDADHL CC(C)(NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000824024842 604797661 /nfs/dbraw/zinc/79/76/61/604797661.db2.gz GKBHYXARDXYWLP-UHFFFAOYSA-N -2 3 364.139 1.982 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CNC(=O)[O-])nc1Cl ZINC000831014066 605184283 /nfs/dbraw/zinc/18/42/83/605184283.db2.gz LIDYZSZFFIOBCO-BDAKNGLRSA-N -2 3 350.828 1.178 20 0 FDADHL CCC(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCOCC1 ZINC000833642113 605193732 /nfs/dbraw/zinc/19/37/32/605193732.db2.gz FXCJWDHCDBDFDP-CQSZACIVSA-N -2 3 374.459 1.393 20 0 FDADHL CN(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC000833693902 605209738 /nfs/dbraw/zinc/20/97/38/605209738.db2.gz YYIRTAKIKJWTOV-UHFFFAOYSA-N -2 3 356.375 1.527 20 0 FDADHL CC1CCC2(CC1)OC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)O2 ZINC000833608310 605210690 /nfs/dbraw/zinc/21/06/90/605210690.db2.gz APWUUDUOQABVDW-VTWZXRTESA-N -2 3 359.400 1.578 20 0 FDADHL C[N-]S(=O)(=O)c1cc(-c2nc(C[C@H](C)N(C)C(=O)[O-])no2)c(C)o1 ZINC000828578779 605302008 /nfs/dbraw/zinc/30/20/08/605302008.db2.gz DGADBINLFIAIGB-ZETCQYMHSA-N -2 3 358.376 1.087 20 0 FDADHL O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C[C@@H]21 ZINC000834179194 605313745 /nfs/dbraw/zinc/31/37/45/605313745.db2.gz LARJGMFMDLUUTP-BIGNPOOSSA-N -2 3 372.381 1.470 20 0 FDADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCC1 ZINC000834155553 605409999 /nfs/dbraw/zinc/40/99/99/605409999.db2.gz LFTVEIZQYPLFMS-UHFFFAOYSA-N -2 3 364.221 1.313 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCCN(C(=O)[O-])C2)nc1Cl ZINC000833951273 605415383 /nfs/dbraw/zinc/41/53/83/605415383.db2.gz RZQAPWITSPRGNM-LBPRGKRZSA-N -2 3 350.828 1.132 20 0 FDADHL Cc1nc(NC(=O)[O-])sc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000833914816 605953192 /nfs/dbraw/zinc/95/31/92/605953192.db2.gz VIJVKPYRQJKNAK-UHFFFAOYSA-N -2 3 369.380 1.716 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000822515818 606469562 /nfs/dbraw/zinc/46/95/62/606469562.db2.gz QBOCSPQONLEMTN-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000822515818 606469563 /nfs/dbraw/zinc/46/95/63/606469563.db2.gz QBOCSPQONLEMTN-UHFFFAOYSA-N -2 3 357.808 1.481 20 0 FDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000820542635 606653206 /nfs/dbraw/zinc/65/32/06/606653206.db2.gz POKNHGKAEFAMFH-JTQLQIEISA-N -2 3 365.415 1.023 20 0 FDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000820542635 606653207 /nfs/dbraw/zinc/65/32/07/606653207.db2.gz POKNHGKAEFAMFH-JTQLQIEISA-N -2 3 365.415 1.023 20 0 FDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000822622273 606711190 /nfs/dbraw/zinc/71/11/90/606711190.db2.gz AESNHFWUORHTAY-UHFFFAOYSA-N -2 3 362.400 1.011 20 0 FDADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820301703 606886236 /nfs/dbraw/zinc/88/62/36/606886236.db2.gz ZTQUDZMHAIJKBG-MRVPVSSYSA-N -2 3 369.353 1.647 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000820541883 607102689 /nfs/dbraw/zinc/10/26/89/607102689.db2.gz JNUBHTQKRFBRGA-IAQYHMDHSA-N -2 3 367.365 1.576 20 0 FDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000820541883 607102690 /nfs/dbraw/zinc/10/26/90/607102690.db2.gz JNUBHTQKRFBRGA-IAQYHMDHSA-N -2 3 367.365 1.576 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000826462487 607847283 /nfs/dbraw/zinc/84/72/83/607847283.db2.gz ZJRRKAPQGFFWDB-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000826462487 607847284 /nfs/dbraw/zinc/84/72/84/607847284.db2.gz ZJRRKAPQGFFWDB-UHFFFAOYSA-N -3 3 363.330 1.505 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC000825146883 607906758 /nfs/dbraw/zinc/90/67/58/607906758.db2.gz FRXFRBWSIHBWGD-RYUDHWBXSA-N -2 3 373.385 1.381 20 0 FDADHL Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826303651 608010808 /nfs/dbraw/zinc/01/08/08/608010808.db2.gz YOOIWIAZTHMBGE-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826303651 608010809 /nfs/dbraw/zinc/01/08/09/608010809.db2.gz YOOIWIAZTHMBGE-UHFFFAOYSA-N -2 3 373.394 1.352 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000826280158 608010870 /nfs/dbraw/zinc/01/08/70/608010870.db2.gz PPSFRZMAGJMVRV-UHFFFAOYSA-N -2 3 353.404 1.098 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000826280158 608010871 /nfs/dbraw/zinc/01/08/71/608010871.db2.gz PPSFRZMAGJMVRV-UHFFFAOYSA-N -2 3 353.404 1.098 20 0 FDADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826211919 608110995 /nfs/dbraw/zinc/11/09/95/608110995.db2.gz ABSATUOVUXTCQQ-UHFFFAOYSA-N -2 3 371.382 1.552 20 0 FDADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826211919 608110996 /nfs/dbraw/zinc/11/09/96/608110996.db2.gz ABSATUOVUXTCQQ-UHFFFAOYSA-N -2 3 371.382 1.552 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826231862 608141121 /nfs/dbraw/zinc/14/11/21/608141121.db2.gz HWTGDWKJDWDQEI-LLVKDONJSA-N -2 3 357.395 1.475 20 0 FDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826231862 608141122 /nfs/dbraw/zinc/14/11/22/608141122.db2.gz HWTGDWKJDWDQEI-LLVKDONJSA-N -2 3 357.395 1.475 20 0 FDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000826492349 608307447 /nfs/dbraw/zinc/30/74/47/608307447.db2.gz GJKKHVLWRYPZMQ-UHFFFAOYSA-N -2 3 360.186 1.697 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826225910 608331603 /nfs/dbraw/zinc/33/16/03/608331603.db2.gz NHGJWFMDGWJKOB-SNVBAGLBSA-N -2 3 369.472 1.344 20 0 FDADHL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826225910 608331605 /nfs/dbraw/zinc/33/16/05/608331605.db2.gz NHGJWFMDGWJKOB-SNVBAGLBSA-N -2 3 369.472 1.344 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225804 608331751 /nfs/dbraw/zinc/33/17/51/608331751.db2.gz LLHNPAVPAWMKPV-VIFPVBQESA-N -2 3 355.445 1.203 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225804 608331753 /nfs/dbraw/zinc/33/17/53/608331753.db2.gz LLHNPAVPAWMKPV-VIFPVBQESA-N -2 3 355.445 1.203 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826225445 608331901 /nfs/dbraw/zinc/33/19/01/608331901.db2.gz CHMFPPXORQMIOU-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826225445 608331903 /nfs/dbraw/zinc/33/19/03/608331903.db2.gz CHMFPPXORQMIOU-JTQLQIEISA-N -2 3 369.472 1.344 20 0 FDADHL O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cccc(Cl)c1[O-] ZINC000826438525 608583244 /nfs/dbraw/zinc/58/32/44/608583244.db2.gz GVMWJVZQXRMGFQ-UHFFFAOYSA-N -2 3 359.777 1.463 20 0 FDADHL O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cccc(Cl)c1[O-] ZINC000826438525 608583246 /nfs/dbraw/zinc/58/32/46/608583246.db2.gz GVMWJVZQXRMGFQ-UHFFFAOYSA-N -2 3 359.777 1.463 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(O)c1 ZINC000826291818 608886723 /nfs/dbraw/zinc/88/67/23/608886723.db2.gz XERDIHSNOSMVKX-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC000826291818 608886725 /nfs/dbraw/zinc/88/67/25/608886725.db2.gz XERDIHSNOSMVKX-UHFFFAOYSA-N -2 3 367.337 1.960 20 0 FDADHL O=C([N-][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(F)(F)F ZINC000826476464 609266452 /nfs/dbraw/zinc/26/64/52/609266452.db2.gz IESXERQYOTUXPB-SNVBAGLBSA-N -2 3 354.292 1.041 20 0 FDADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492791 609340400 /nfs/dbraw/zinc/34/04/00/609340400.db2.gz DDQWBYZVARZPHJ-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492791 609340401 /nfs/dbraw/zinc/34/04/01/609340401.db2.gz DDQWBYZVARZPHJ-UHFFFAOYSA-N -2 3 354.754 1.855 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)nn1C ZINC000826271513 609530948 /nfs/dbraw/zinc/53/09/48/609530948.db2.gz VIKRUKHNRNEFOY-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)nn1C ZINC000826271513 609530949 /nfs/dbraw/zinc/53/09/49/609530949.db2.gz VIKRUKHNRNEFOY-UHFFFAOYSA-N -2 3 353.795 1.363 20 0 FDADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273838970 674575340 /nfs/dbraw/zinc/57/53/40/674575340.db2.gz XCIKTOBADFGYJY-SDBXPKJASA-N -2 3 360.382 1.424 20 0 FDADHL Cc1c(Cl)cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000018707112 670663617 /nfs/dbraw/zinc/66/36/17/670663617.db2.gz KBDMYJXDMBBPKU-UHFFFAOYSA-N -2 3 370.774 1.575 20 0 FDADHL O=C([N-][N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccccc1F ZINC000047417821 671033615 /nfs/dbraw/zinc/03/36/15/671033615.db2.gz FDWKBWNTDLDTPX-UHFFFAOYSA-N -2 3 368.777 1.750 20 0 FDADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000278669000 675176634 /nfs/dbraw/zinc/17/66/34/675176634.db2.gz LBEUUXDAYHFLCT-SECBINFHSA-N -3 3 353.755 1.466 20 0 FDADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c(C)c1Cl ZINC000278700521 675182007 /nfs/dbraw/zinc/18/20/07/675182007.db2.gz NHBFBCZRLYABDN-YFKPBYRVSA-N -2 3 355.821 1.638 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000066577364 671342775 /nfs/dbraw/zinc/34/27/75/671342775.db2.gz AGZMOUHQWXIADR-UHFFFAOYSA-N -2 3 370.333 1.375 20 0 FDADHL N#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216163 671362734 /nfs/dbraw/zinc/36/27/34/671362734.db2.gz DAILIOGBFFNAIY-UHFFFAOYSA-N -2 3 357.347 1.273 20 0 FDADHL C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261575224 672632443 /nfs/dbraw/zinc/63/24/43/672632443.db2.gz YMUXDTFHCHWTHC-SNVBAGLBSA-N -2 3 372.624 1.216 20 0 FDADHL C[C@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000263542970 672881762 /nfs/dbraw/zinc/88/17/62/672881762.db2.gz FBCHZDHJTJOAEH-SSDOTTSWSA-N -2 3 366.848 1.144 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000364412645 677014829 /nfs/dbraw/zinc/01/48/29/677014829.db2.gz FAYDUTKBZDOWOX-VXGBXAGGSA-N -2 3 358.416 1.372 20 0 FDADHL CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)nn1 ZINC000404485046 678820109 /nfs/dbraw/zinc/82/01/09/678820109.db2.gz JTXFMUCWQMIBJA-UHFFFAOYSA-N -2 3 374.806 1.137 20 0 FDADHL CC[C@H](CS(=O)(=O)[N-]c1ccccc1-n1ccc(C(=O)[O-])n1)OC ZINC000421148649 680608968 /nfs/dbraw/zinc/60/89/68/680608968.db2.gz GZSFFSNOOSTIBH-LLVKDONJSA-N -2 3 353.400 1.737 20 0 FDADHL Cc1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000481865708 686367302 /nfs/dbraw/zinc/36/73/02/686367302.db2.gz MFYQSKSPMNGTHG-UHFFFAOYSA-N -2 3 365.433 1.763 20 0 FDADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000500322775 688066250 /nfs/dbraw/zinc/06/62/50/688066250.db2.gz BMHUKRBPNKZRJN-UHFFFAOYSA-N -2 3 363.392 1.603 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1F ZINC000500566881 688105193 /nfs/dbraw/zinc/10/51/93/688105193.db2.gz KIGJHFSTTMMYHM-UHFFFAOYSA-N -2 3 363.367 1.532 20 0 FDADHL CS(=O)(=O)c1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n[n-]1 ZINC000512602381 689629968 /nfs/dbraw/zinc/62/99/68/689629968.db2.gz OASCDMHBXXJWFA-UHFFFAOYSA-N -2 3 367.774 1.769 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c(C)c1C(=O)[O-] ZINC000512734836 689635828 /nfs/dbraw/zinc/63/58/28/689635828.db2.gz USOHRHRSBKAHBT-UHFFFAOYSA-N -2 3 362.407 1.830 20 0 FDADHL Cc1csc(C2([N-]S(=O)(=O)c3scnc3C(=O)[O-])CCC2)n1 ZINC000517930856 690105078 /nfs/dbraw/zinc/10/50/78/690105078.db2.gz OTFDXLWGPKLVHY-UHFFFAOYSA-N -2 3 359.454 1.964 20 0 FDADHL COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000520224770 690297847 /nfs/dbraw/zinc/29/78/47/690297847.db2.gz ZALWUIAPYTYYCK-JTQLQIEISA-N -2 3 355.368 1.732 20 0 FDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000527301206 694664578 /nfs/dbraw/zinc/66/45/78/694664578.db2.gz RUSRKKLOGFHBLU-VIFPVBQESA-N -2 3 371.333 1.238 20 0 FDADHL CC(C)[C@H](CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000655890452 772899044 /nfs/dbraw/zinc/89/90/44/772899044.db2.gz JSWMRCFOIHOTJS-AWEZNQCLSA-N -2 3 363.414 1.216 20 0 FDADHL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000656738942 777447113 /nfs/dbraw/zinc/44/71/13/777447113.db2.gz MPOATMLZNQLDEC-UHFFFAOYSA-N -2 3 362.408 1.040 20 0 FDADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000647921592 814620799 /nfs/dbraw/zinc/62/07/99/814620799.db2.gz OKFKSUZVMZEHDJ-UONOGXRCSA-N -2 3 362.473 1.757 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)o1 ZINC000655578940 819562523 /nfs/dbraw/zinc/56/25/23/819562523.db2.gz HSQNPHONAJWZQH-KPXOXKRLSA-N -2 3 372.443 1.361 20 0 FDADHL O=C([O-])CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC000655591394 819787660 /nfs/dbraw/zinc/78/76/60/819787660.db2.gz MPFXSTNLLNKBMS-UHFFFAOYSA-N -2 3 366.848 1.146 20 0 FDADHL Cc1ccc(C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c([O-])c1 ZINC000449118151 829376728 /nfs/dbraw/zinc/37/67/28/829376728.db2.gz RHSBKRRFGZQRSO-RDJZCZTQSA-N -2 3 368.389 1.857 20 0 FDADHL Cc1cnc(Cl)c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c1 ZINC000905993131 852487058 /nfs/dbraw/zinc/48/70/58/852487058.db2.gz MYBSJMDXIDCULD-SECBINFHSA-N -2 3 352.865 1.776 20 0 FDADHL C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906985594 853638941 /nfs/dbraw/zinc/63/89/41/853638941.db2.gz DFWWUEZSKLCLRN-DGCLKSJQSA-N -2 3 354.428 1.338 20 0 FDADHL COc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000910169936 856926729 /nfs/dbraw/zinc/92/67/29/856926729.db2.gz ICUMUASOXSNDTA-SNVBAGLBSA-N -2 3 356.806 1.675 20 0 FDADHL CO[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910263061 857046624 /nfs/dbraw/zinc/04/66/24/857046624.db2.gz GGOFPLGRCRJQHG-BXUZGUMPSA-N -2 3 358.188 1.859 20 0 FDADHL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910590734 857381833 /nfs/dbraw/zinc/38/18/33/857381833.db2.gz IUWBSYDNLZDDIH-RYUDHWBXSA-N -2 3 358.188 1.907 20 0 FDADHL CCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761243186 864570117 /nfs/dbraw/zinc/57/01/17/864570117.db2.gz UBKRBQIRQQLEDT-UHFFFAOYSA-N -2 3 355.199 1.106 20 0 FDADHL CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001168431091 867971388 /nfs/dbraw/zinc/97/13/88/867971388.db2.gz RMISRZVLXYHONT-UHFFFAOYSA-N -2 3 371.802 1.265 20 0 FDADHL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670446835 884240238 /nfs/dbraw/zinc/24/02/38/884240238.db2.gz VJAJPJOQIQRQKL-UHFFFAOYSA-N -2 3 355.354 1.686 20 0 FDADHL COc1nnc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])[n-]1 ZINC000496197168 889384816 /nfs/dbraw/zinc/38/48/16/889384816.db2.gz MMAXQUYTEFNVKY-UHFFFAOYSA-N -2 3 368.275 1.976 20 0 FDADHL COc1nc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])n[n-]1 ZINC000496197168 889384824 /nfs/dbraw/zinc/38/48/24/889384824.db2.gz MMAXQUYTEFNVKY-UHFFFAOYSA-N -2 3 368.275 1.976 20 0 FDADHL COc1n[n-]c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])n1 ZINC000496197168 889384837 /nfs/dbraw/zinc/38/48/37/889384837.db2.gz MMAXQUYTEFNVKY-UHFFFAOYSA-N -2 3 368.275 1.976 20 0 FDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000729900667 915761657 /nfs/dbraw/zinc/76/16/57/915761657.db2.gz JQUNIKQIDAKSSY-UHFFFAOYSA-N -2 3 372.491 1.605 20 0 FDADHL Cc1cc([N-]S(=O)(=O)c2ccc(NCc3ncccc3[O-])nc2)no1 ZINC001169732052 928887925 /nfs/dbraw/zinc/88/79/25/928887925.db2.gz GIELXNDSRTYXBX-UHFFFAOYSA-N -2 3 361.383 1.892 20 0 FDADHL CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000786038231 931733422 /nfs/dbraw/zinc/73/34/22/931733422.db2.gz SKWZETFMSANWNG-NTSWFWBYSA-N -2 3 356.194 1.442 20 0 FDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000809550400 940860719 /nfs/dbraw/zinc/86/07/19/940860719.db2.gz CROBLHNORDNHFU-LBPRGKRZSA-N -2 3 371.392 1.345 20 0 FDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(=O)OC ZINC001195248104 970792277 /nfs/dbraw/zinc/79/22/77/970792277.db2.gz BZGUTBMMQRJTIN-MADCSZMMSA-N -2 3 365.354 1.529 20 0 FDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001195250462 970792971 /nfs/dbraw/zinc/79/29/71/970792971.db2.gz YEYQCXCYYLCXAY-LLVKDONJSA-N -2 3 365.354 1.529 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2cccnc2)c(F)cc1F ZINC001195255524 970797090 /nfs/dbraw/zinc/79/70/90/970797090.db2.gz XXCKDSZYBFJKBR-UHFFFAOYSA-N -2 3 356.350 1.969 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(CCO)CC2)c(F)cc1F ZINC001195259955 970799995 /nfs/dbraw/zinc/79/99/95/970799995.db2.gz OTLGLIXJIDWVEM-UHFFFAOYSA-N -2 3 363.382 1.883 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)c(C)cc1[O-] ZINC001195339489 970854727 /nfs/dbraw/zinc/85/47/27/970854727.db2.gz MDOZXNDRSUDVQW-UHFFFAOYSA-N -2 3 351.384 1.695 20 0 FDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OCC2CCC2)CCCC1 ZINC000856349154 971088532 /nfs/dbraw/zinc/08/85/32/971088532.db2.gz IHHHKILTWULXMP-UHFFFAOYSA-N -2 3 371.459 1.730 20 0 FDADHL C[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415521 971135656 /nfs/dbraw/zinc/13/56/56/971135656.db2.gz DTTMJRXNQVODFS-SKDRFNHKSA-N -2 3 358.316 1.490 20 0 FDADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000820842133 945567290 /nfs/dbraw/zinc/56/72/90/945567290.db2.gz KDLXNJQWUFWWGB-UHFFFAOYSA-N -2 3 373.394 1.966 20 0 FDADHL O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823556848 946444632 /nfs/dbraw/zinc/44/46/32/946444632.db2.gz ARSYBPLMFHMCQM-WAYWQWQTSA-N -2 3 352.376 1.875 20 0 FDADHL O=S(=O)([N-]c1cnoc1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823589156 946450636 /nfs/dbraw/zinc/45/06/36/946450636.db2.gz QKYFLNGQBCRWSD-UHFFFAOYSA-N -2 3 371.176 1.418 20 0 FDADHL O=S(=O)([N-]c1cnoc1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823589156 946450646 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/nfs/dbraw/zinc/49/90/92/598499092.db2.gz IFLSVPPGLLPDNL-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735484130 598499095 /nfs/dbraw/zinc/49/90/95/598499095.db2.gz IFLSVPPGLLPDNL-UHFFFAOYSA-N -2 3 372.410 1.934 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000737609827 598548400 /nfs/dbraw/zinc/54/84/00/598548400.db2.gz KGFQOUUSZPWSCQ-UHFFFAOYSA-N -2 3 371.329 1.002 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736423249 598785281 /nfs/dbraw/zinc/78/52/81/598785281.db2.gz MRKXVCRXZKRMSQ-GFCCVEGCSA-N -2 3 365.459 1.682 20 0 FDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736423249 598785282 /nfs/dbraw/zinc/78/52/82/598785282.db2.gz MRKXVCRXZKRMSQ-GFCCVEGCSA-N -2 3 365.459 1.682 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c[nH]1 ZINC000822472645 599306958 /nfs/dbraw/zinc/30/69/58/599306958.db2.gz WDEJWZCQTLELGH-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c[nH]1 ZINC000822472645 599306960 /nfs/dbraw/zinc/30/69/60/599306960.db2.gz WDEJWZCQTLELGH-UHFFFAOYSA-N -2 3 373.320 1.718 20 0 FDADHL Cc1conc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822408979 607380667 /nfs/dbraw/zinc/38/06/67/607380667.db2.gz KXIPVRAXTJUXQU-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL Cc1conc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822408979 607380668 /nfs/dbraw/zinc/38/06/68/607380668.db2.gz KXIPVRAXTJUXQU-UHFFFAOYSA-N -2 3 374.304 1.983 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736200173 599515978 /nfs/dbraw/zinc/51/59/78/599515978.db2.gz CJXQGRRCHNNRGH-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736200173 599515980 /nfs/dbraw/zinc/51/59/80/599515980.db2.gz CJXQGRRCHNNRGH-GFCCVEGCSA-N -2 3 371.422 1.616 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)o1 ZINC000740176464 599770508 /nfs/dbraw/zinc/77/05/08/599770508.db2.gz FTUDQCWRNNBTFE-UHFFFAOYSA-N -2 3 372.786 1.340 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccn(-c3ccccc3)n2)o1 ZINC000740176626 599777352 /nfs/dbraw/zinc/77/73/52/599777352.db2.gz LIWPQQYDJMWLKE-UHFFFAOYSA-N -2 3 361.379 1.685 20 0 FDADHL Cc1nc(-c2ccc(NC(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000738334562 599986876 /nfs/dbraw/zinc/98/68/76/599986876.db2.gz CHJXJTKPFRQJDL-CQSZACIVSA-N -2 3 358.354 1.475 20 0 FDADHL COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)c1cncc([O-])c1 ZINC000737650265 600370892 /nfs/dbraw/zinc/37/08/92/600370892.db2.gz MFOBOHDJRYPVSR-UHFFFAOYSA-N -2 3 352.324 1.273 20 0 FDADHL O=C([O-])CCCc1nnc(NC(=O)c2nnc3ccccc3c2[O-])s1 ZINC000739710172 600554272 /nfs/dbraw/zinc/55/42/72/600554272.db2.gz BGUMVRRBWCRMKR-UHFFFAOYSA-N -2 3 359.367 1.847 20 0 FDADHL CSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738195538 600632641 /nfs/dbraw/zinc/63/26/41/600632641.db2.gz WCCHAOGXZKOTCE-UHFFFAOYSA-N -2 3 372.237 1.928 20 0 FDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000327329050 600777354 /nfs/dbraw/zinc/77/73/54/600777354.db2.gz FSNBIUABTRQPBL-OAHLLOKOSA-N -2 3 363.391 1.886 20 0 FDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C2CC2)no1 ZINC000826715833 600779529 /nfs/dbraw/zinc/77/95/29/600779529.db2.gz GWAUYZCJGXDYDU-LBPRGKRZSA-N -2 3 368.415 1.659 20 0 FDADHL O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1=O ZINC000833130734 601074555 /nfs/dbraw/zinc/07/45/55/601074555.db2.gz FARZIQLUKCXLCI-NSHDSACASA-N -2 3 362.363 1.393 20 0 FDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000739889902 601118624 /nfs/dbraw/zinc/11/86/24/601118624.db2.gz SVPBPQYEQCQPNL-UHFFFAOYSA-N -3 3 351.336 1.518 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)cc1C(=O)[O-] ZINC000833027098 601219175 /nfs/dbraw/zinc/21/91/75/601219175.db2.gz OYTGXIJWTBIPJV-UHFFFAOYSA-N -2 3 369.380 1.876 20 0 FDADHL O=C([O-])c1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccn1 ZINC000833296460 601249096 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ZINC000231346120 602160076 /nfs/dbraw/zinc/16/00/76/602160076.db2.gz DKVJNJBRNWHDNS-YFKPBYRVSA-N -2 3 356.219 1.524 20 0 FDADHL Cc1nc(C)c(CC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c(=O)[n-]1 ZINC000740219794 602541008 /nfs/dbraw/zinc/54/10/08/602541008.db2.gz VJSSDPOGMAACHO-CQSZACIVSA-N -2 3 350.419 1.674 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C1CC1 ZINC000740246701 602708538 /nfs/dbraw/zinc/70/85/38/602708538.db2.gz PSBGFUROSMZOIQ-GFCCVEGCSA-N -2 3 350.828 1.097 20 0 FDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739994229 602837564 /nfs/dbraw/zinc/83/75/64/602837564.db2.gz CCKYWBAQBXNBAN-NSHDSACASA-N -2 3 371.415 1.156 20 0 FDADHL CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCOCC1 ZINC000738788286 602844220 /nfs/dbraw/zinc/84/42/20/602844220.db2.gz DNZHRZBYTBVHDK-CQSZACIVSA-N -2 3 351.403 1.569 20 0 FDADHL O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832009773 603108921 /nfs/dbraw/zinc/10/89/21/603108921.db2.gz 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O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000832341567 604551824 /nfs/dbraw/zinc/55/18/24/604551824.db2.gz UGJNUEMHDKALLZ-LSDHHAIUSA-N -2 3 361.398 1.113 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCN(C(=O)[O-])C2)c(C)o1 ZINC000828579581 604655776 /nfs/dbraw/zinc/65/57/76/604655776.db2.gz NQIVZYSRNDFYIS-JTQLQIEISA-N -2 3 360.388 1.043 20 0 FDADHL Cc1nc(C)c(CCC(=O)Nc2nc(CCC(=O)[O-])cs2)c(=O)[n-]1 ZINC000832995030 604719234 /nfs/dbraw/zinc/71/92/34/604719234.db2.gz VUVJAARPJRECMJ-UHFFFAOYSA-N -2 3 350.400 1.844 20 0 FDADHL C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833550620 605036391 /nfs/dbraw/zinc/03/63/91/605036391.db2.gz XUZMWOBOINRKKO-GXSJLCMTSA-N -2 3 356.425 1.284 20 0 FDADHL O=C([O-])c1ccccc1CS(=O)(=O)[N-]CC(=O)OC1CCCCC1 ZINC000833764238 605043566 /nfs/dbraw/zinc/04/35/66/605043566.db2.gz CDNMCOZTRZUQQX-UHFFFAOYSA-N -2 3 355.412 1.680 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCCCC1 ZINC000833716217 605046226 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CC[C@@H](C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC001594912560 982423339 /nfs/dbraw/zinc/42/33/39/982423339.db2.gz PSXKFUYDTGBVQL-YGRLFVJLSA-N -2 3 374.434 1.742 20 0 FDADHL CCCCc1nc(NC(=O)Cn2ccc(C(=O)[O-])n2)c(C(=O)OCC)[n-]1 ZINC001595798749 982611192 /nfs/dbraw/zinc/61/11/92/982611192.db2.gz GYCUYGQGTSUYJV-UHFFFAOYSA-N -2 3 363.374 1.462 20 0 FDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-] ZINC001594953137 982677595 /nfs/dbraw/zinc/67/75/95/982677595.db2.gz QATIZPUWUBTEIT-YUMQZZPRSA-N -2 3 368.253 1.350 20 0 FDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ncc(C(=O)[O-])s2)c1 ZINC001588662144 983788813 /nfs/dbraw/zinc/78/88/13/983788813.db2.gz XMWGTMULRYUOHU-UHFFFAOYSA-N -2 3 361.379 1.644 20 0 FDADHL CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001596644398 984652292 /nfs/dbraw/zinc/65/22/92/984652292.db2.gz NXQDLBCJCJPDOQ-SNVBAGLBSA-N -2 3 374.415 1.513 20 0 FDADHL CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC(C)C ZINC001596657639 984701151 /nfs/dbraw/zinc/70/11/51/984701151.db2.gz KJCRIWKJWZKLQZ-LLVKDONJSA-N -2 3 362.404 1.417 20 0 FDADHL CCOC(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)nc1 ZINC001596718100 984948648 /nfs/dbraw/zinc/94/86/48/984948648.db2.gz GXABISFFKAIYQV-UHFFFAOYSA-N -2 3 364.383 1.769 20 0 FDADHL O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)c1c([O-])cc(F)cc1F ZINC000869370500 985059630 /nfs/dbraw/zinc/05/96/30/985059630.db2.gz IWVVCVTXOITAFE-UHFFFAOYSA-N -2 3 355.215 1.465 20 0 FDADHL C[Si](C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC001599939500 985436817 /nfs/dbraw/zinc/43/68/17/985436817.db2.gz LNVUNSCSQGTDLK-UHFFFAOYSA-N -2 3 356.501 1.274 20 0 FDADHL CCO[C@H]1C[C@](NC(=O)c2cc(F)cc3n[n-]nc32)(C(=O)[O-])C1(C)C ZINC001596828925 985450151 /nfs/dbraw/zinc/45/01/51/985450151.db2.gz QRIFQFGQFZHRBB-ZBEGNZNMSA-N -2 3 350.350 1.485 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCS1 ZINC000826449928 985526342 /nfs/dbraw/zinc/52/63/42/985526342.db2.gz PBJNVQNHZWRNBB-LBPRGKRZSA-N -2 3 367.456 1.098 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCS1 ZINC000826449928 985526357 /nfs/dbraw/zinc/52/63/57/985526357.db2.gz PBJNVQNHZWRNBB-LBPRGKRZSA-N -2 3 367.456 1.098 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCCCS1 ZINC000826449748 985527330 /nfs/dbraw/zinc/52/73/30/985527330.db2.gz IEGNVSORDWHUNK-GFCCVEGCSA-N -2 3 367.456 1.098 20 0 FDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1CCCCS1 ZINC000826449748 985527338 /nfs/dbraw/zinc/52/73/38/985527338.db2.gz IEGNVSORDWHUNK-GFCCVEGCSA-N -2 3 367.456 1.098 20 0 FDADHL C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2occc2C(=O)[O-])C[C@H](C)O1 ZINC001594501035 985682294 /nfs/dbraw/zinc/68/22/94/985682294.db2.gz YGDRGWOIMAZJKZ-QWRGUYRKSA-N -2 3 360.432 1.144 20 0 FDADHL C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2occc2C(=O)[O-])C[C@@H](C)O1 ZINC001594527125 986068420 /nfs/dbraw/zinc/06/84/20/986068420.db2.gz BRTKTNDVCVHAOP-VXGBXAGGSA-N -2 3 360.432 1.146 20 0 FDADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])no1 ZINC001596950159 986107568 /nfs/dbraw/zinc/10/75/68/986107568.db2.gz ARVXYXDJMYSNND-SNVBAGLBSA-N -2 3 369.399 1.652 20 0 FDADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001596986538 986251598 /nfs/dbraw/zinc/25/15/98/986251598.db2.gz WUUDAADICHCKPC-KNVOCYPGSA-N -2 3 368.205 1.586 20 0 FDADHL CC(C)(C(=O)[O-])N1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001589623948 987519484 /nfs/dbraw/zinc/51/94/84/987519484.db2.gz UZQBHFSMCZGXEN-UHFFFAOYSA-N -2 3 371.384 1.403 20 0 FDADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC001589632929 987545281 /nfs/dbraw/zinc/54/52/81/987545281.db2.gz UMPQZILJSCXCMP-UHFFFAOYSA-N -2 3 357.366 1.404 20 0 FDADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n[nH]1 ZINC001597656616 988711552 /nfs/dbraw/zinc/71/15/52/988711552.db2.gz UZMVKCWLXXAWHV-LURJTMIESA-N -2 3 360.342 1.383 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)NCCc1ccccc1 ZINC001599842598 988869654 /nfs/dbraw/zinc/86/96/54/988869654.db2.gz SFHYZWZGFAOIAJ-LLVKDONJSA-N -2 3 366.395 1.004 20 0 FDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001597729300 989036102 /nfs/dbraw/zinc/03/61/02/989036102.db2.gz RSKYJQVXQPJZHB-UHFFFAOYSA-N -2 3 359.404 1.345 20 0 FDADHL C[C@@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C[C@@H](C(=O)[O-])O1 ZINC001599864180 989217219 /nfs/dbraw/zinc/21/72/19/989217219.db2.gz UHBXNMIKKHDLPM-KRTXAFLBSA-N -2 3 352.293 1.120 20 0 FDADHL CC(C)(C)OC(=O)N[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001590297926 989725499 /nfs/dbraw/zinc/72/54/99/989725499.db2.gz WGIKJXNBJWKMFO-MGCOHNPYSA-N -2 3 360.388 1.312 20 0 FDADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]C(=O)C(F)(F)c1nccs1 ZINC001590339017 989774787 /nfs/dbraw/zinc/77/47/87/989774787.db2.gz AACJCRUVMVEIEE-QMMMGPOBSA-N -2 3 364.370 1.926 20 0 FDADHL CC(C)(C)OC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001590357731 989798645 /nfs/dbraw/zinc/79/86/45/989798645.db2.gz JQTGALKBBCMYCY-VHSXEESVSA-N -2 3 359.400 1.767 20 0 FDADHL COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C2 ZINC001599627041 994163490 /nfs/dbraw/zinc/16/34/90/994163490.db2.gz AMTCYAPDAMVVMZ-NSHDSACASA-N -2 3 368.436 1.686 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593347055 994951590 /nfs/dbraw/zinc/95/15/90/994951590.db2.gz AHNRQZADXARVLL-SCSAIBSYSA-N -3 3 363.398 1.036 20 0 FDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC001593347329 994954567 /nfs/dbraw/zinc/95/45/67/994954567.db2.gz GZCGZHVVCJJNPL-ZETCQYMHSA-N -2 3 356.381 1.610 20 0 FDADHL COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598688035 995024035 /nfs/dbraw/zinc/02/40/35/995024035.db2.gz LPNKNTXPIANYBW-LURJTMIESA-N -2 3 353.755 1.265 20 0 FDADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccccc1F ZINC001593433363 995266764 /nfs/dbraw/zinc/26/67/64/995266764.db2.gz WZHRFMAUAXALBD-OQPBUACISA-N -2 3 359.400 1.986 20 0 FDADHL C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001593710574 996209620 /nfs/dbraw/zinc/20/96/20/996209620.db2.gz NBTLQFCSFZWITO-DGCLKSJQSA-N -2 3 364.427 1.222 20 0 FDADHL COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598833919 996465209 /nfs/dbraw/zinc/46/52/09/996465209.db2.gz OQRNYEAJLYSPFZ-UHFFFAOYSA-N -2 3 367.782 1.797 20 0 FDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001599385048 996930018 /nfs/dbraw/zinc/93/00/18/996930018.db2.gz KOSSFQUWCLQOCW-KVSKUHBBSA-N -2 3 353.368 1.777 20 0 FDADHL CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599327108 997683735 /nfs/dbraw/zinc/68/37/35/997683735.db2.gz DCZLOUFJQWMXOA-DOMZBBRYSA-N -2 3 351.380 1.877 20 0 FDADHL COC(=O)c1cc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])oc1C ZINC001598929723 997724051 /nfs/dbraw/zinc/72/40/51/997724051.db2.gz CZIWSSRNDKKKAG-UHFFFAOYSA-N -2 3 360.369 1.008 20 0 FDADHL COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)ccc1C(=O)[O-] ZINC001598948915 998110683 /nfs/dbraw/zinc/11/06/83/998110683.db2.gz JZMHKLRFEMUUTB-GFCCVEGCSA-N 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ZINC001599022826 998994282 /nfs/dbraw/zinc/99/42/82/998994282.db2.gz VXULYLAHAJMBJR-RQJHMYQMSA-N -2 3 367.832 1.638 20 0 FDADHL CSc1nc(=O)[n-]c(C)c1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000267013768 999287795 /nfs/dbraw/zinc/28/77/95/999287795.db2.gz NVBJKDFHNYUEPS-UHFFFAOYSA-N -2 3 374.426 1.095 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])o1 ZINC000650418926 1011922111 /nfs/dbraw/zinc/92/21/11/1011922111.db2.gz WGLJJNMJAGXSBX-CYBMUJFWSA-N -3 3 367.379 1.189 20 0 FDADHL COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000650419801 1011932664 /nfs/dbraw/zinc/93/26/64/1011932664.db2.gz ZGVVFKZIIYRXMV-SSDOTTSWSA-N -2 3 359.297 1.766 20 0 FDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)CC1CC1 ZINC000650430696 1011979059 /nfs/dbraw/zinc/97/90/59/1011979059.db2.gz URDKIVWQRGUSNV-MRVPVSSYSA-N -2 3 358.347 1.039 20 0 FDADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230095325 178273409 /nfs/dbraw/zinc/27/34/09/178273409.db2.gz GNAQCZWWIRKLRF-JTQLQIEISA-N -2 3 370.196 1.356 20 0 FDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000230064885 178273804 /nfs/dbraw/zinc/27/38/04/178273804.db2.gz NRLNMFQBYHQILB-QMMMGPOBSA-N -2 3 372.624 1.216 20 0 FDADHL Cc1ncc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(=O)[n-]1 ZINC000509218734 538945243 /nfs/dbraw/zinc/94/52/43/538945243.db2.gz PNCNEDGBSITKOF-UHFFFAOYSA-N -2 3 351.281 1.526 20 0 FDADHL CCn1c(=O)[n-]c(=O)c2c(C(=O)NC3(C(=O)[O-])CCC3)cc(C3CC3)nc21 ZINC000514896367 539021640 /nfs/dbraw/zinc/02/16/40/539021640.db2.gz GGQIXFJJMIDQHK-UHFFFAOYSA-N -2 3 372.381 1.132 20 0 FDADHL Cc1cc(C(=O)NCC(=O)N(C)C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267213343 179790267 /nfs/dbraw/zinc/79/02/67/179790267.db2.gz GXZDIVCXWIGASB-UHFFFAOYSA-N -2 3 373.413 1.265 20 0 FDADHL COCCOCCS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000269168801 180232329 /nfs/dbraw/zinc/23/23/29/180232329.db2.gz VNODOKCRRPMNJQ-UHFFFAOYSA-N -2 3 353.396 1.943 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]CCCC(=O)[O-])c(Cl)cc1Cl ZINC000270437493 180481598 /nfs/dbraw/zinc/48/15/98/180481598.db2.gz WBPXLUITUSOOEX-UHFFFAOYSA-N -2 3 370.210 1.923 20 0 FDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530148621 539895576 /nfs/dbraw/zinc/89/55/76/539895576.db2.gz ISYVHBGJTGMQEP-SSDOTTSWSA-N -2 3 352.206 1.924 20 0 FDADHL O=C([O-])c1cncc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000530151860 539897906 /nfs/dbraw/zinc/89/79/06/539897906.db2.gz OZJHQVCXQCIHST-SNVBAGLBSA-N -2 3 364.305 1.058 20 0 FDADHL C[C@]1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])COc2ccccc2O1 ZINC000530153581 539899314 /nfs/dbraw/zinc/89/93/14/539899314.db2.gz XHKWBZXDODDFAH-AWEZNQCLSA-N -2 3 370.408 1.350 20 0 FDADHL Cc1c([C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])cnn1C ZINC000530435283 539972360 /nfs/dbraw/zinc/97/23/60/539972360.db2.gz NCTICKPPWVGSAW-LBPRGKRZSA-N -2 3 363.317 1.250 20 0 FDADHL Cc1c([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])cnn1C ZINC000530435683 539972879 /nfs/dbraw/zinc/97/28/79/539972879.db2.gz YCYUTXCKVZTYBB-NSHDSACASA-N -2 3 361.782 1.625 20 0 FDADHL CCC[C@H]1CN(C(=O)c2ncccc2[O-])CCN1C(=O)c1ncccc1[O-] ZINC000274155571 181035297 /nfs/dbraw/zinc/03/52/97/181035297.db2.gz GKNRQWSOWBYNEL-ZDUSSCGKSA-N -2 3 370.409 1.655 20 0 FDADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000274889495 181187097 /nfs/dbraw/zinc/18/70/97/181187097.db2.gz FRESTXSFFORPAK-VIFPVBQESA-N -2 3 352.771 1.579 20 0 FDADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)s1 ZINC000274929611 181198205 /nfs/dbraw/zinc/19/82/05/181198205.db2.gz CEOSJPMFTDJGSM-UHFFFAOYSA-N -2 3 372.424 1.196 20 0 FDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000274932864 181199039 /nfs/dbraw/zinc/19/90/39/181199039.db2.gz DMKCSPPGJTYBCB-VIFPVBQESA-N -2 3 363.819 1.906 20 0 FDADHL Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)nc1Cl ZINC000274955514 181204899 /nfs/dbraw/zinc/20/48/99/181204899.db2.gz ILYOBGFFMFVGEL-UHFFFAOYSA-N -2 3 370.818 1.523 20 0 FDADHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000274955070 181205216 /nfs/dbraw/zinc/20/52/16/181205216.db2.gz TZFIVIYQOQTKQF-SSDLBLMSSA-N -2 3 372.624 1.215 20 0 FDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000274956673 181206128 /nfs/dbraw/zinc/20/61/28/181206128.db2.gz HBDRIGFBAQUBJM-NXEZZACHSA-N -2 3 354.359 1.018 20 0 FDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000275036938 181222233 /nfs/dbraw/zinc/22/22/33/181222233.db2.gz UYQINJCBZHYVEE-LBPRGKRZSA-N -2 3 366.361 1.321 20 0 FDADHL COCCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000275064189 181228839 /nfs/dbraw/zinc/22/88/39/181228839.db2.gz VGLHGBUYEMLAKC-UHFFFAOYSA-N -2 3 372.321 1.518 20 0 FDADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000275284265 181279371 /nfs/dbraw/zinc/27/93/71/181279371.db2.gz ONIVSRMGRCTLJF-MRVPVSSYSA-N -2 3 350.190 1.678 20 0 FDADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000275331905 181292423 /nfs/dbraw/zinc/29/24/23/181292423.db2.gz UENDGUDMEKFSJK-ZCFIWIBFSA-N -2 3 366.239 1.784 20 0 FDADHL COC(=O)COc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000537195719 540699086 /nfs/dbraw/zinc/69/90/86/540699086.db2.gz SWVFBYHMYXXHJQ-UHFFFAOYSA-N -2 3 367.379 1.753 20 0 FDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])c1 ZINC000275382417 181304953 /nfs/dbraw/zinc/30/49/53/181304953.db2.gz ZSIMMUAGYLTAHE-ZDUSSCGKSA-N -2 3 352.387 1.751 20 0 FDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000538295694 540838328 /nfs/dbraw/zinc/83/83/28/540838328.db2.gz DOFJGWXKXFZCLO-UHFFFAOYSA-N -2 3 366.395 1.326 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)s1 ZINC000539855628 541001014 /nfs/dbraw/zinc/00/10/14/541001014.db2.gz YQHZZECPTDBKKK-LBPRGKRZSA-N -2 3 365.436 1.608 20 0 FDADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cn1C ZINC000540498774 541067192 /nfs/dbraw/zinc/06/71/92/541067192.db2.gz NDTJJCAWBNIRHC-UHFFFAOYSA-N -2 3 354.384 1.717 20 0 FDADHL COc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc(OC)c1[O-] ZINC000545139513 541878173 /nfs/dbraw/zinc/87/81/73/541878173.db2.gz VZLBVKIWBSDEBT-UHFFFAOYSA-N -2 3 368.367 1.015 20 0 FDADHL CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000280043956 181928098 /nfs/dbraw/zinc/92/80/98/181928098.db2.gz RCYUINJBHFVMIJ-LLVKDONJSA-N -2 3 358.391 1.061 20 0 FDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000284120739 182370964 /nfs/dbraw/zinc/37/09/64/182370964.db2.gz TXQQPRKQGUHKNP-UHFFFAOYSA-N -2 3 359.791 1.943 20 0 FDADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)no1 ZINC000545554130 541997727 /nfs/dbraw/zinc/99/77/27/541997727.db2.gz KESKTDMZKZCNHJ-UHFFFAOYSA-N -2 3 352.368 1.509 20 0 FDADHL Cc1oc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000296911332 184213711 /nfs/dbraw/zinc/21/37/11/184213711.db2.gz JYJMYXFKEKEDOV-UHFFFAOYSA-N -2 3 367.305 1.517 20 0 FDADHL CC[C@H](CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000297159238 184240138 /nfs/dbraw/zinc/24/01/38/184240138.db2.gz JOHPLDIGRHYDQY-SECBINFHSA-N -2 3 358.391 1.490 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(F)cc1C ZINC000297042903 184229113 /nfs/dbraw/zinc/22/91/13/184229113.db2.gz UTAKSHUYALYCDT-VIFPVBQESA-N -2 3 369.317 1.307 20 0 FDADHL CCc1nc(C[N-]S(=O)(=O)c2cncc(Cl)c2)ccc1C(=O)[O-] ZINC000547563636 542376501 /nfs/dbraw/zinc/37/65/01/542376501.db2.gz WDHAMFMWWHVKRF-UHFFFAOYSA-N -2 3 355.803 1.869 20 0 FDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000547571092 542378883 /nfs/dbraw/zinc/37/88/83/542378883.db2.gz SFZVNKCGYDBRSS-AWEZNQCLSA-N -2 3 363.819 1.906 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1cccnc1 ZINC000547572324 542378982 /nfs/dbraw/zinc/37/89/82/542378982.db2.gz RIITUACNGDQWBE-NSHDSACASA-N -2 3 356.350 1.582 20 0 FDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000547611304 542390989 /nfs/dbraw/zinc/39/09/89/542390989.db2.gz BRZHXXCJVDKFIU-GXSJLCMTSA-N -2 3 373.324 1.737 20 0 FDADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000547612842 542391374 /nfs/dbraw/zinc/39/13/74/542391374.db2.gz WIAYZZMWCLUHPG-ONGXEEELSA-N -2 3 355.334 1.598 20 0 FDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)o1 ZINC000547608197 542389503 /nfs/dbraw/zinc/38/95/03/542389503.db2.gz UKYUAYJVCZGYBD-UHFFFAOYSA-N -2 3 365.342 1.781 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCOC1 ZINC000547876344 542472467 /nfs/dbraw/zinc/47/24/67/542472467.db2.gz ACZFPAGEQQCJKC-RDDDGLTNSA-N -2 3 371.308 1.613 20 0 FDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1ccccn1)C(=O)[O-] ZINC000547876032 542472929 /nfs/dbraw/zinc/47/29/29/542472929.db2.gz APAZMHPRBXYBTO-LBPRGKRZSA-N -2 3 352.387 1.751 20 0 FDADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-] ZINC000547878442 542474242 /nfs/dbraw/zinc/47/42/42/542474242.db2.gz LQDIECZXEOXLOD-VIFPVBQESA-N -3 3 361.759 1.601 20 0 FDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000547884381 542476048 /nfs/dbraw/zinc/47/60/48/542476048.db2.gz OORAWCSZTWMBEX-QMMMGPOBSA-N -2 3 357.409 1.829 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c(C)o1 ZINC000547888802 542477976 /nfs/dbraw/zinc/47/79/76/542477976.db2.gz LNXHAHOOYRBHAH-HWPZZCPQSA-N -2 3 373.427 1.934 20 0 FDADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-] ZINC000547907399 542484217 /nfs/dbraw/zinc/48/42/17/542484217.db2.gz NUIHJGRFCJNAIK-JTQLQIEISA-N -2 3 374.802 1.392 20 0 FDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)s1 ZINC000547932805 542491641 /nfs/dbraw/zinc/49/16/41/542491641.db2.gz JLQHOZBFPJHTEF-UHFFFAOYSA-N -2 3 361.441 1.387 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000547936240 542492842 /nfs/dbraw/zinc/49/28/42/542492842.db2.gz XNSGLZZJGGDVMH-VIFPVBQESA-N -2 3 367.420 1.008 20 0 FDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000548206896 542585998 /nfs/dbraw/zinc/58/59/98/542585998.db2.gz APHVTSAONVMUIX-WCBMZHEXSA-N -2 3 351.783 1.637 20 0 FDADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-] ZINC000548207727 542586069 /nfs/dbraw/zinc/58/60/69/542586069.db2.gz MAXMLKIKJYHGFG-VIFPVBQESA-N -2 3 360.775 1.002 20 0 FDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C(=O)[O-])n1 ZINC000548210153 542587077 /nfs/dbraw/zinc/58/70/77/542587077.db2.gz BKMIEAFTMIOOLM-ZDUSSCGKSA-N -2 3 359.354 1.210 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000548259909 542602962 /nfs/dbraw/zinc/60/29/62/542602962.db2.gz GFBLZNUSYXKTBE-UHFFFAOYSA-N -2 3 359.375 1.536 20 0 FDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000548263093 542604474 /nfs/dbraw/zinc/60/44/74/542604474.db2.gz PTBOQFOHYBFMKI-GFCCVEGCSA-N -2 3 373.383 1.778 20 0 FDADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000548262882 542604671 /nfs/dbraw/zinc/60/46/71/542604671.db2.gz FDSQUHJPLXLXLG-KOLCDFICSA-N -2 3 356.227 1.886 20 0 FDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-] ZINC000548264633 542605451 /nfs/dbraw/zinc/60/54/51/542605451.db2.gz ORFHBOXBROXJPD-KOLCDFICSA-N -2 3 361.416 1.932 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])oc1C ZINC000548268769 542605981 /nfs/dbraw/zinc/60/59/81/542605981.db2.gz WADHWBCDBSNDCJ-UWVGGRQHSA-N -2 3 361.416 1.932 20 0 FDADHL COc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1Cl ZINC000548526450 542690721 /nfs/dbraw/zinc/69/07/21/542690721.db2.gz ZATYBCDMJRQCSR-QMMMGPOBSA-N -2 3 358.199 1.116 20 0 FDADHL CCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000548533566 542693445 /nfs/dbraw/zinc/69/34/45/542693445.db2.gz LUWMUUCGMUGZLQ-JTQLQIEISA-N -2 3 360.819 1.756 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 ZINC000548536464 542694858 /nfs/dbraw/zinc/69/48/58/542694858.db2.gz WILATJDVZBYWPI-CPCISQLKSA-N -2 3 354.211 1.761 20 0 FDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000548544609 542697790 /nfs/dbraw/zinc/69/77/90/542697790.db2.gz XGIBMKXNMAWXQH-LBPRGKRZSA-N -2 3 364.826 1.697 20 0 FDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000548595141 542715183 /nfs/dbraw/zinc/71/51/83/542715183.db2.gz VEBRQQQCFHLJST-MRVPVSSYSA-N -2 3 362.410 1.095 20 0 FDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548770107 542775259 /nfs/dbraw/zinc/77/52/59/542775259.db2.gz RMBPBYJRDTYVEV-XVKPBYJWSA-N -2 3 352.334 1.878 20 0 FDADHL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2c1=O ZINC000551477088 543290427 /nfs/dbraw/zinc/29/04/27/543290427.db2.gz CRMAYMAUADLHMR-UHFFFAOYSA-N -3 3 374.374 1.743 20 0 FDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000092181514 172293628 /nfs/dbraw/zinc/29/36/28/172293628.db2.gz UWLQPEWYPVZKDE-RNFRBKRXSA-N -2 3 352.231 1.818 20 0 FDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)Oc1ccccc1 ZINC000559153351 544598817 /nfs/dbraw/zinc/59/88/17/544598817.db2.gz YOSANUSWLCCHDD-HNNXBMFYSA-N -2 3 371.361 1.916 20 0 FDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000329210393 259085054 /nfs/dbraw/zinc/08/50/54/259085054.db2.gz ZLWFUTVBPHPHAH-GFCCVEGCSA-N -2 3 365.415 1.249 20 0 FDADHL O=C([O-])c1ccn(-c2cccc(CNC(=O)c3ccc4n[n-]nc4c3)c2)n1 ZINC000366441923 259937467 /nfs/dbraw/zinc/93/74/67/259937467.db2.gz DJUJAMSZYOSQCS-UHFFFAOYSA-N -2 3 362.349 1.772 20 0 FDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c(Cl)cc1Cl ZINC000375588269 261377151 /nfs/dbraw/zinc/37/71/51/261377151.db2.gz QYHGNASIGNDUNA-PSVAKVPMSA-N -2 3 366.222 1.862 20 0 FDADHL O=C(Nc1nnc(SCCO)[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000490564072 489774240 /nfs/dbraw/zinc/77/42/40/489774240.db2.gz JZPXHTFYBCNDBS-UHFFFAOYSA-N -2 3 364.362 1.172 20 0 FDADHL O=C(Nc1nc(SCCO)n[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000490564072 489774245 /nfs/dbraw/zinc/77/42/45/489774245.db2.gz JZPXHTFYBCNDBS-UHFFFAOYSA-N -2 3 364.362 1.172 20 0 FDADHL O=C(Nc1n[n-]c(SCCO)n1)c1nn(-c2ccccc2F)cc1[O-] ZINC000490564072 489774249 /nfs/dbraw/zinc/77/42/49/489774249.db2.gz JZPXHTFYBCNDBS-UHFFFAOYSA-N -2 3 364.362 1.172 20 0 FDADHL C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2NC1=O ZINC000013032999 518649211 /nfs/dbraw/zinc/64/92/11/518649211.db2.gz PQZZYTMFGVISOI-SECBINFHSA-N -2 3 362.363 1.905 20 0 FDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ncccc1[O-] ZINC000068998996 521777757 /nfs/dbraw/zinc/77/77/57/521777757.db2.gz OHMJGUVOFKGOND-UHFFFAOYSA-N -2 3 351.366 1.812 20 0 FDADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000058838040 522302876 /nfs/dbraw/zinc/30/28/76/522302876.db2.gz LJIPUZVIKKABSI-LBPRGKRZSA-N -2 3 368.342 1.708 20 0 FDADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000052785747 523270053 /nfs/dbraw/zinc/27/00/53/523270053.db2.gz SCNDIXGBIOYENW-SECBINFHSA-N -2 3 370.196 1.356 20 0 FDADHL CCOc1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)cc1C(=O)[O-] ZINC000068074756 523683138 /nfs/dbraw/zinc/68/31/38/523683138.db2.gz FNMMYDUAEMHXSH-UHFFFAOYSA-N -2 3 366.399 1.496 20 0 FDADHL CC[C@H](C[N-]S(=O)(=O)c1cncc(Br)c1)CC(=O)[O-] ZINC000147331874 524432300 /nfs/dbraw/zinc/43/23/00/524432300.db2.gz FWTCHJHFTTXWHZ-QMMMGPOBSA-N -2 3 351.222 1.623 20 0 FDADHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000152776702 525000624 /nfs/dbraw/zinc/00/06/24/525000624.db2.gz HVYDAUFCDXKLKD-UHFFFAOYSA-N -2 3 360.355 1.884 20 0 FDADHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000152776702 525000636 /nfs/dbraw/zinc/00/06/36/525000636.db2.gz HVYDAUFCDXKLKD-UHFFFAOYSA-N -2 3 360.355 1.884 20 0 FDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000133153707 526028583 /nfs/dbraw/zinc/02/85/83/526028583.db2.gz FCISSTJZSJITPA-RQJHMYQMSA-N -2 3 354.197 1.976 20 0 FDADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)N(C)C1CC1 ZINC000184995542 536195124 /nfs/dbraw/zinc/19/51/24/536195124.db2.gz PSUGSKYFIWTMND-MRVPVSSYSA-N -2 3 364.826 1.938 20 0 FDADHL CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 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JIKXCHZTQIOCQG-RXMQYKEDSA-N -2 3 355.729 1.749 20 0 FDADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000275319294 537555011 /nfs/dbraw/zinc/55/50/11/537555011.db2.gz SDFNMQJGLGTSNF-ZETCQYMHSA-N -2 3 369.848 1.865 20 0 FDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000318474879 537612079 /nfs/dbraw/zinc/61/20/79/537612079.db2.gz KIPQVSZIPKXSSJ-QMMMGPOBSA-N -2 3 361.725 1.737 20 0 FDADHL Cc1cc(F)c(S(=O)(=O)[N-]CCC2(O)CCOCC2)cc1C(=O)[O-] ZINC000285415573 537706711 /nfs/dbraw/zinc/70/67/11/537706711.db2.gz KQAUMMOSTALEAC-UHFFFAOYSA-N -2 3 361.391 1.042 20 0 FDADHL COc1nc([N-]S(=O)(=O)CCc2ccccc2Br)n[n-]1 ZINC000292542559 537743605 /nfs/dbraw/zinc/74/36/05/537743605.db2.gz MMWGUZUOEXFLAE-UHFFFAOYSA-N -2 3 361.221 1.560 20 0 FDADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)o1 ZINC000414327055 537780414 /nfs/dbraw/zinc/78/04/14/537780414.db2.gz BADBWYZTDYFOJU-UHFFFAOYSA-N -2 3 368.411 1.877 20 0 FDADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000399761389 537796010 /nfs/dbraw/zinc/79/60/10/537796010.db2.gz YPSKJYHHOKUQRS-LDYMZIIASA-N -2 3 365.249 1.868 20 0 FDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000466257938 538525279 /nfs/dbraw/zinc/52/52/79/538525279.db2.gz QEJRMXYZVAPJHG-UHFFFAOYSA-N -2 3 351.380 1.865 20 0 FDADHL Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000466338852 538531959 /nfs/dbraw/zinc/53/19/59/538531959.db2.gz XQQHNYJYTSBTBQ-UGSOOPFHSA-N -2 3 365.393 2.393 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000481605789 538538057 /nfs/dbraw/zinc/53/80/57/538538057.db2.gz IDJRCTGJBJXTBM-UHFFFAOYSA-N -3 3 363.355 1.191 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000481605789 538538064 /nfs/dbraw/zinc/53/80/64/538538064.db2.gz IDJRCTGJBJXTBM-UHFFFAOYSA-N -3 3 363.355 1.191 20 0 FDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000563067302 546383050 /nfs/dbraw/zinc/38/30/50/546383050.db2.gz DUZXCGITWMNYAM-NSHDSACASA-N -2 3 361.441 1.453 20 0 FDADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000564208542 546845055 /nfs/dbraw/zinc/84/50/55/546845055.db2.gz JEAJCLMHCVMZLB-ZIAGYGMSSA-N -2 3 365.411 1.615 20 0 FDADHL COc1ncccc1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000564619702 546973789 /nfs/dbraw/zinc/97/37/89/546973789.db2.gz RRHBQVFGLRHKSB-UHFFFAOYSA-N -2 3 354.359 1.449 20 0 FDADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1 ZINC000564840687 547061857 /nfs/dbraw/zinc/06/18/57/547061857.db2.gz UIFARRDDDBBHPS-SNVBAGLBSA-N -2 3 361.391 1.782 20 0 FDADHL C[C@@H]1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C[C@@H]1C(=O)[O-] ZINC000566236051 547674583 /nfs/dbraw/zinc/67/45/83/547674583.db2.gz ZTFVWMDWMJJTRX-DDTOSNHZSA-N -2 3 374.397 1.012 20 0 FDADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000566549234 547802739 /nfs/dbraw/zinc/80/27/39/547802739.db2.gz SKOJALYWHGNVSJ-BXUZGUMPSA-N -2 3 358.347 1.182 20 0 FDADHL CCc1ncc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)s1 ZINC000566772802 547880898 /nfs/dbraw/zinc/88/08/98/547880898.db2.gz XCCAPNBXAZKXRS-UHFFFAOYSA-N -2 3 356.425 1.647 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](O)COc2cccc(C)c2)cc1C(=O)[O-] ZINC000566795606 547888455 /nfs/dbraw/zinc/88/84/55/547888455.db2.gz RNGWKVSCXYBIMH-GFCCVEGCSA-N -2 3 369.395 1.313 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])cc1F ZINC000567115807 548001398 /nfs/dbraw/zinc/00/13/98/548001398.db2.gz BUGJWYMPTIHUMJ-ZDUSSCGKSA-N -2 3 371.342 1.180 20 0 FDADHL Cc1cc(S(=O)(=O)[N-][C@H](CN2CCCCC2)C(=O)[O-])sc1Cl ZINC000567577174 548165920 /nfs/dbraw/zinc/16/59/20/548165920.db2.gz LSQQBWWQNLFPAH-SNVBAGLBSA-N -2 3 366.892 1.927 20 0 FDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000567579631 548167285 /nfs/dbraw/zinc/16/72/85/548167285.db2.gz HSNOSLGVOFHTTJ-LBPRGKRZSA-N -2 3 363.407 1.773 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1 ZINC000567798534 548263226 /nfs/dbraw/zinc/26/32/26/548263226.db2.gz RCTYHNNERUTGOZ-MRVPVSSYSA-N -2 3 357.363 1.306 20 0 FDADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)O1 ZINC000568277557 548471990 /nfs/dbraw/zinc/47/19/90/548471990.db2.gz WYKWRNCLDYMNGS-WCABBAIRSA-N -2 3 358.372 1.385 20 0 FDADHL Cc1csc(C2([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCC2)n1 ZINC000568387164 548515734 /nfs/dbraw/zinc/51/57/34/548515734.db2.gz QDZDGHMAYFPHQM-UHFFFAOYSA-N -2 3 356.429 1.090 20 0 FDADHL COc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000569167015 548820072 /nfs/dbraw/zinc/82/00/72/548820072.db2.gz MIBGENAPWSEJFK-UHFFFAOYSA-N -2 3 370.408 1.372 20 0 FDADHL CCn1cc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)nc1C ZINC000569185383 548825508 /nfs/dbraw/zinc/82/55/08/548825508.db2.gz XZWBYQMJQVUUSX-UHFFFAOYSA-N -2 3 359.354 1.666 20 0 FDADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cnn3c2OCCC3)C(=O)[O-])cc1 ZINC000571281082 549589927 /nfs/dbraw/zinc/58/99/27/549589927.db2.gz CBULSBNCXZPTEM-CYBMUJFWSA-N -2 3 365.411 1.121 20 0 FDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000572459011 549918313 /nfs/dbraw/zinc/91/83/13/549918313.db2.gz LDFPBJJKLYFROR-VIFPVBQESA-N -2 3 363.461 1.051 20 0 FDADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3c(c2)CCO3)s1 ZINC000572718477 549978615 /nfs/dbraw/zinc/97/86/15/549978615.db2.gz FEQMJLVGEIFRON-ZDUSSCGKSA-N -2 3 354.409 1.491 20 0 FDADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000574875370 550384980 /nfs/dbraw/zinc/38/49/80/550384980.db2.gz ZBQZCUCFPAPCMA-WCQYABFASA-N -2 3 360.432 1.161 20 0 FDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1OC ZINC000574991680 550405661 /nfs/dbraw/zinc/40/56/61/550405661.db2.gz DJFGWEUCXMNDSW-UHFFFAOYSA-N -2 3 356.400 1.650 20 0 FDADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCc3c(=O)[n-]cnc3C2)n1 ZINC000575953070 550494505 /nfs/dbraw/zinc/49/45/05/550494505.db2.gz SSQXIPCJEGXLTA-UHFFFAOYSA-N -2 3 369.356 1.720 20 0 FDADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000576548924 550561267 /nfs/dbraw/zinc/56/12/67/550561267.db2.gz LPZFJLMOZOJBCN-ZETCQYMHSA-N -2 3 364.807 1.449 20 0 FDADHL COc1ccccc1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000576940194 550602375 /nfs/dbraw/zinc/60/23/75/550602375.db2.gz KEXBVPQQOUCAQL-UHFFFAOYSA-N -2 3 355.368 1.652 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCOCCC(C)C ZINC000577390739 550651508 /nfs/dbraw/zinc/65/15/08/550651508.db2.gz LWEGAUHWNLDQJY-UHFFFAOYSA-N -2 3 363.407 1.874 20 0 FDADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)[C@@H]1OC ZINC000577496150 550662661 /nfs/dbraw/zinc/66/26/61/550662661.db2.gz BOWFIMCXUVWRFU-GYSYKLTISA-N -2 3 361.391 1.303 20 0 FDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000578765419 550799452 /nfs/dbraw/zinc/79/94/52/550799452.db2.gz ZKGONQCUBBSECS-FZZIBODNSA-N -2 3 373.402 1.624 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])o1 ZINC000578873102 550810619 /nfs/dbraw/zinc/81/06/19/550810619.db2.gz MFOUPILBTJIEGN-QMMMGPOBSA-N -2 3 367.305 1.235 20 0 FDADHL Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(OCC(=O)[O-])cc2)s1 ZINC000579543713 550883896 /nfs/dbraw/zinc/88/38/96/550883896.db2.gz DBDMKMOCBSQZMN-UHFFFAOYSA-N -2 3 370.452 1.744 20 0 FDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000579642740 550895076 /nfs/dbraw/zinc/89/50/76/550895076.db2.gz VEKVVVFMZZVXQC-SSDOTTSWSA-N -2 3 369.317 1.247 20 0 FDADHL CC(C)([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000579764648 550907853 /nfs/dbraw/zinc/90/78/53/550907853.db2.gz ZBXQUGLZOZFUIG-UHFFFAOYSA-N -2 3 364.217 1.526 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c(F)c1 ZINC000580242376 550958374 /nfs/dbraw/zinc/95/83/74/550958374.db2.gz YOMWBPNMBZBSHI-LBPRGKRZSA-N -2 3 371.342 1.180 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000580327397 550967941 /nfs/dbraw/zinc/96/79/41/550967941.db2.gz JRRXYYFXXUMJGO-CQSZACIVSA-N -2 3 372.418 1.878 20 0 FDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000581255293 551068919 /nfs/dbraw/zinc/06/89/19/551068919.db2.gz ZRZDFCJKEVOZNS-UHFFFAOYSA-N -2 3 359.454 1.366 20 0 FDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)[O-])O3)s1 ZINC000581308672 551074481 /nfs/dbraw/zinc/07/44/81/551074481.db2.gz ZHCWJAQMZCJPOQ-LBPRGKRZSA-N -2 3 354.409 1.318 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3cccs3)cn21 ZINC000581656175 551117219 /nfs/dbraw/zinc/11/72/19/551117219.db2.gz YAJXXGRQVCCAOS-NOZJJQNGSA-N -2 3 355.441 1.946 20 0 FDADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000583082412 551301003 /nfs/dbraw/zinc/30/10/03/551301003.db2.gz VYYJAKNKEURMOP-NSHDSACASA-N -2 3 368.440 1.089 20 0 FDADHL CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000583379485 551342865 /nfs/dbraw/zinc/34/28/65/551342865.db2.gz XYYJVIXKXWJKIY-UHFFFAOYSA-N -2 3 358.445 1.383 20 0 FDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000583564879 551370291 /nfs/dbraw/zinc/37/02/91/551370291.db2.gz ILSKSBSVAHERDO-GFCCVEGCSA-N -2 3 361.391 1.780 20 0 FDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-])cn21 ZINC000583750948 551396856 /nfs/dbraw/zinc/39/68/56/551396856.db2.gz USOXRGLGKDCEIW-VXGBXAGGSA-N -2 3 373.475 1.717 20 0 FDADHL Cc1cc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(F)cc1Br ZINC000584100494 551446993 /nfs/dbraw/zinc/44/69/93/551446993.db2.gz QEUKVXLPKMIGLA-UHFFFAOYSA-N -2 3 370.196 1.276 20 0 FDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCc2nnc3n2CCCCC3)c1 ZINC000584467315 551501588 /nfs/dbraw/zinc/50/15/88/551501588.db2.gz GTEXQJXVWPUZMX-UHFFFAOYSA-N -2 3 368.415 1.207 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nnn[n-]3)cc2)c1C ZINC000590501055 551788055 /nfs/dbraw/zinc/78/80/55/551788055.db2.gz RQTXOUAJVCHVLE-UHFFFAOYSA-N -2 3 372.410 1.870 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nn[n-]n3)cc2)c1C ZINC000590501055 551788056 /nfs/dbraw/zinc/78/80/56/551788056.db2.gz RQTXOUAJVCHVLE-UHFFFAOYSA-N -2 3 372.410 1.870 20 0 FDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c[n-]1 ZINC000590741239 551810185 /nfs/dbraw/zinc/81/01/85/551810185.db2.gz JNLDVRHYPSSWSJ-UHFFFAOYSA-N -2 3 363.395 1.906 20 0 FDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)[n-]1 ZINC000590741239 551810186 /nfs/dbraw/zinc/81/01/86/551810186.db2.gz JNLDVRHYPSSWSJ-UHFFFAOYSA-N -2 3 363.395 1.906 20 0 FDADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])s1 ZINC000592447341 551996954 /nfs/dbraw/zinc/99/69/54/551996954.db2.gz CEYXGLLSUSIARJ-MRVPVSSYSA-N -2 3 367.470 1.267 20 0 FDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000593277881 552081537 /nfs/dbraw/zinc/08/15/37/552081537.db2.gz MJHRRQUKFUGWBR-JTQLQIEISA-N -2 3 359.375 1.392 20 0 FDADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000604838883 553925348 /nfs/dbraw/zinc/92/53/48/553925348.db2.gz KKVJZHRVLZUNSV-UHFFFAOYSA-N -2 3 359.404 1.701 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)sc2C)ccc1[O-] ZINC000610732856 554555753 /nfs/dbraw/zinc/55/57/53/554555753.db2.gz GSTDUQHDSVEHEJ-UHFFFAOYSA-N -2 3 370.408 1.448 20 0 FDADHL C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824151 555122513 /nfs/dbraw/zinc/12/25/13/555122513.db2.gz CZYJWILKNYOREP-BQBZGAKWSA-N -2 3 370.818 1.996 20 0 FDADHL C[C@]1(c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2)NC(=O)[N-]C1=O ZINC000620969066 556012964 /nfs/dbraw/zinc/01/29/64/556012964.db2.gz POYBWDXIQWLFMG-QGZVFWFLSA-N -2 3 361.304 1.977 20 0 FDADHL C[C@]1(c2ccc(C(=O)N(CC(=O)[O-])C3CCCC3)cc2)NC(=O)[N-]C1=O ZINC000621574269 556114116 /nfs/dbraw/zinc/11/41/16/556114116.db2.gz MEUCIPKEIAKDSB-GOSISDBHSA-N -2 3 359.382 1.211 20 0 FDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c(F)c1F ZINC000629294993 557755111 /nfs/dbraw/zinc/75/51/11/557755111.db2.gz KDIZYVFNXIFDKQ-CYBMUJFWSA-N -3 3 351.327 1.117 20 0 FDADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc([O-])ccc3Cl)CC2)C1 ZINC000629489709 557800467 /nfs/dbraw/zinc/80/04/67/557800467.db2.gz DIOCTOMJVMSPPW-GFCCVEGCSA-N -2 3 352.818 1.943 20 0 FDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@H]1CCCO1 ZINC000630421672 557907855 /nfs/dbraw/zinc/90/78/55/557907855.db2.gz GWRKBEDIDOUQTB-HZGVNTEJSA-N -2 3 359.347 1.677 20 0 FDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000630421682 557907878 /nfs/dbraw/zinc/90/78/78/557907878.db2.gz GZAUNNYBAYIYGP-NEPJUHHUSA-N -2 3 351.783 1.531 20 0 FDADHL CCn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736730188 598890462 /nfs/dbraw/zinc/89/04/62/598890462.db2.gz CKOHEHGTWFBRBO-UHFFFAOYSA-N -2 3 353.795 1.537 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737181052 598909492 /nfs/dbraw/zinc/90/94/92/598909492.db2.gz FANYDRYYKDXDTO-UHFFFAOYSA-N -2 3 369.472 1.346 20 0 FDADHL CSCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737181052 598909493 /nfs/dbraw/zinc/90/94/93/598909493.db2.gz FANYDRYYKDXDTO-UHFFFAOYSA-N -2 3 369.472 1.346 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccccc1F ZINC000737298483 598976358 /nfs/dbraw/zinc/97/63/58/598976358.db2.gz KVAYQBCYXQSPNI-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccccc1F ZINC000737298483 598976361 /nfs/dbraw/zinc/97/63/61/598976361.db2.gz KVAYQBCYXQSPNI-UHFFFAOYSA-N -2 3 361.358 1.433 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccccc1F)c1sccc1-c1nnn[n-]1 ZINC000738138070 599025937 /nfs/dbraw/zinc/02/59/37/599025937.db2.gz DBSARGIXRVAGBE-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL O=C([N-]S(=O)(=O)c1ccccc1F)c1sccc1-c1nn[n-]n1 ZINC000738138070 599025939 /nfs/dbraw/zinc/02/59/39/599025939.db2.gz DBSARGIXRVAGBE-UHFFFAOYSA-N -2 3 353.360 1.186 20 0 FDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H]1CCCO1 ZINC000055313497 602142572 /nfs/dbraw/zinc/14/25/72/602142572.db2.gz WIHCSUOIBHWUFF-RQJHMYQMSA-N -2 3 368.205 1.586 20 0 FDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000737297883 599156560 /nfs/dbraw/zinc/15/65/60/599156560.db2.gz DLDRNXDSNKLLOV-JTQLQIEISA-N -2 3 351.432 1.662 20 0 FDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000737297883 599156563 /nfs/dbraw/zinc/15/65/63/599156563.db2.gz DLDRNXDSNKLLOV-JTQLQIEISA-N -2 3 351.432 1.662 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC000735977568 599218601 /nfs/dbraw/zinc/21/86/01/599218601.db2.gz UEYNLTMJNPMETJ-NSHDSACASA-N -2 3 360.399 1.124 20 0 FDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000735977568 599218604 /nfs/dbraw/zinc/21/86/04/599218604.db2.gz UEYNLTMJNPMETJ-NSHDSACASA-N -2 3 360.399 1.124 20 0 FDADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736438349 599220484 /nfs/dbraw/zinc/22/04/84/599220484.db2.gz IPUSHEFKTPYXJR-SNAWJCMRSA-N -2 3 355.807 1.681 20 0 FDADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736438349 599220486 /nfs/dbraw/zinc/22/04/86/599220486.db2.gz IPUSHEFKTPYXJR-SNAWJCMRSA-N -2 3 355.807 1.681 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c1 ZINC000818521967 597132594 /nfs/dbraw/zinc/13/25/94/597132594.db2.gz AFCOYFMSOCEFLN-UHFFFAOYSA-N -2 3 367.354 1.789 20 0 FDADHL O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCSC1 ZINC000822935265 607325867 /nfs/dbraw/zinc/32/58/67/607325867.db2.gz IVFGIBYPYPWCBB-CQSZACIVSA-N -2 3 351.363 1.542 20 0 FDADHL O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCSC1 ZINC000822935265 607325868 /nfs/dbraw/zinc/32/58/68/607325868.db2.gz IVFGIBYPYPWCBB-CQSZACIVSA-N -2 3 351.363 1.542 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736229184 598314206 /nfs/dbraw/zinc/31/42/06/598314206.db2.gz LLTNTPKWNZRMJC-OAHLLOKOSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736229184 598314208 /nfs/dbraw/zinc/31/42/08/598314208.db2.gz LLTNTPKWNZRMJC-OAHLLOKOSA-N -2 3 361.365 1.844 20 0 FDADHL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737510237 598416477 /nfs/dbraw/zinc/41/64/77/598416477.db2.gz BYUBWDBMLNAGAK-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737510237 598416478 /nfs/dbraw/zinc/41/64/78/598416478.db2.gz BYUBWDBMLNAGAK-UHFFFAOYSA-N -2 3 367.822 1.671 20 0 FDADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341683 598500289 /nfs/dbraw/zinc/50/02/89/598500289.db2.gz JUQBRXUKVKRCAT-UHFFFAOYSA-N -2 3 367.394 1.853 20 0 FDADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341683 598500290 /nfs/dbraw/zinc/50/02/90/598500290.db2.gz JUQBRXUKVKRCAT-UHFFFAOYSA-N -2 3 367.394 1.853 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737512421 598593790 /nfs/dbraw/zinc/59/37/90/598593790.db2.gz VHQDACQRYXMANN-UHFFFAOYSA-N -2 3 371.785 1.502 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737512421 598593792 /nfs/dbraw/zinc/59/37/92/598593792.db2.gz VHQDACQRYXMANN-UHFFFAOYSA-N -2 3 371.785 1.502 20 0 FDADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000736650681 598637109 /nfs/dbraw/zinc/63/71/09/598637109.db2.gz HJMRUBCNZGMIEM-UHFFFAOYSA-N -2 3 360.399 1.770 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736346223 598801944 /nfs/dbraw/zinc/80/19/44/598801944.db2.gz VHYXEFCYACFKCO-UHFFFAOYSA-N -2 3 367.431 1.128 20 0 FDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736346223 598801945 /nfs/dbraw/zinc/80/19/45/598801945.db2.gz VHYXEFCYACFKCO-UHFFFAOYSA-N -2 3 367.431 1.128 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000737549501 599316052 /nfs/dbraw/zinc/31/60/52/599316052.db2.gz WBCKBVAMHGJFMS-UHFFFAOYSA-N -2 3 363.355 1.291 20 0 FDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000737549501 599316056 /nfs/dbraw/zinc/31/60/56/599316056.db2.gz WBCKBVAMHGJFMS-UHFFFAOYSA-N -2 3 363.355 1.291 20 0 FDADHL CSc1[nH]c(=O)c(C(=O)Nc2c([O-])cccc2F)cc1-c1nnn[n-]1 ZINC000821978145 599329774 /nfs/dbraw/zinc/32/97/74/599329774.db2.gz JSDLXBSSSSIPHS-UHFFFAOYSA-N -2 3 362.346 1.786 20 0 FDADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735603860 599616940 /nfs/dbraw/zinc/61/69/40/599616940.db2.gz OWZNBDGYVTWSNZ-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735603860 599616942 /nfs/dbraw/zinc/61/69/42/599616942.db2.gz OWZNBDGYVTWSNZ-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820848558 599684666 /nfs/dbraw/zinc/68/46/66/599684666.db2.gz YUJSOCNXDZFTCF-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820848558 599684667 /nfs/dbraw/zinc/68/46/67/599684667.db2.gz YUJSOCNXDZFTCF-UHFFFAOYSA-N -2 3 351.432 1.639 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)o1 ZINC000740175251 599766938 /nfs/dbraw/zinc/76/69/38/599766938.db2.gz HUXZZHCNPKFDNS-NSHDSACASA-N -2 3 354.384 1.686 20 0 FDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC000737840597 599768842 /nfs/dbraw/zinc/76/88/42/599768842.db2.gz ZJFZOEDZEUFHMI-UHFFFAOYSA-N -2 3 356.169 1.350 20 0 FDADHL O=C([O-])CCc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000739759704 599825090 /nfs/dbraw/zinc/82/50/90/599825090.db2.gz JTXMMORYGMSUOS-UHFFFAOYSA-N -2 3 371.393 1.961 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000826249866 607401379 /nfs/dbraw/zinc/40/13/79/607401379.db2.gz YVLNJYNQMSQJJP-LBPRGKRZSA-N -2 3 371.422 1.996 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000826249866 607401381 /nfs/dbraw/zinc/40/13/81/607401381.db2.gz YVLNJYNQMSQJJP-LBPRGKRZSA-N -2 3 371.422 1.996 20 0 FDADHL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc21 ZINC000740277957 600177874 /nfs/dbraw/zinc/17/78/74/600177874.db2.gz QXJGFSYMSHIRQB-UHFFFAOYSA-N -2 3 367.305 1.582 20 0 FDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)C(=O)[O-] ZINC000738388271 600359857 /nfs/dbraw/zinc/35/98/57/600359857.db2.gz MTBRNEHKXZEEQN-QMMMGPOBSA-N -2 3 357.322 1.196 20 0 FDADHL COc1ccc(OCCCS(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000738048182 600529663 /nfs/dbraw/zinc/52/96/63/600529663.db2.gz ATHWQGQBYNHJCR-UHFFFAOYSA-N -2 3 369.399 1.187 20 0 FDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])C(C)C)ccc1F ZINC000736477921 600561959 /nfs/dbraw/zinc/56/19/59/600561959.db2.gz PJOJHXBCXBXIPG-UHFFFAOYSA-N -2 3 374.434 1.838 20 0 FDADHL O=C([O-])CCCc1nnc(NC(=O)CNC(=O)c2ccc([O-])cc2)s1 ZINC000739703993 600602784 /nfs/dbraw/zinc/60/27/84/600602784.db2.gz PVVAFMTZPWPSNB-UHFFFAOYSA-N -2 3 364.383 1.020 20 0 FDADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(F)cc1F ZINC000751272276 600677454 /nfs/dbraw/zinc/67/74/54/600677454.db2.gz NZXOVUCZVBFTQW-UHFFFAOYSA-N -2 3 359.310 1.750 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)o1 ZINC000740176726 600797441 /nfs/dbraw/zinc/79/74/41/600797441.db2.gz RXNNAOBIIMLSGL-UHFFFAOYSA-N -2 3 361.379 1.916 20 0 FDADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000829203583 600993758 /nfs/dbraw/zinc/99/37/58/600993758.db2.gz XNIXROIAMAIXHX-CQSZACIVSA-N -2 3 365.354 1.673 20 0 FDADHL O=C([O-])c1cccc(OCCN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000833331917 601009260 /nfs/dbraw/zinc/00/92/60/601009260.db2.gz UEHGNAOSPRNFFD-UHFFFAOYSA-N -2 3 370.405 1.927 20 0 FDADHL CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000830144123 601225568 /nfs/dbraw/zinc/22/55/68/601225568.db2.gz CUPSVPIEGZUNHE-GANBNBROSA-N -2 3 363.457 1.644 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC000831034336 601358096 /nfs/dbraw/zinc/35/80/96/601358096.db2.gz WFSFXUWIEWHZEF-CYBMUJFWSA-N -2 3 371.342 1.618 20 0 FDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000829339300 601403716 /nfs/dbraw/zinc/40/37/16/601403716.db2.gz FSJXXTHTXNFACL-GFCCVEGCSA-N -2 3 361.391 1.924 20 0 FDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)cc1C(=O)[O-] ZINC000833026420 601405288 /nfs/dbraw/zinc/40/52/88/601405288.db2.gz AVJMSUDXEABNLU-QFIPXVFZSA-N -2 3 357.409 1.502 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)ccc1F ZINC000831034379 601682741 /nfs/dbraw/zinc/68/27/41/601682741.db2.gz ZDCDLRBZFNYIDO-UHFFFAOYSA-N -2 3 371.342 1.690 20 0 FDADHL CC[C@@H](NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C(=O)[O-] ZINC000818299049 601761368 /nfs/dbraw/zinc/76/13/68/601761368.db2.gz KYKARJCNRBUSIQ-LLVKDONJSA-N -2 3 371.349 1.586 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1-c1nnn[n-]1 ZINC000826303977 607533022 /nfs/dbraw/zinc/53/30/22/607533022.db2.gz POHQGUWBKNHWJE-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826303977 607533024 /nfs/dbraw/zinc/53/30/24/607533024.db2.gz POHQGUWBKNHWJE-UHFFFAOYSA-N -2 3 358.383 1.075 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1-c1nnn[n-]1 ZINC000826262450 607533911 /nfs/dbraw/zinc/53/39/11/607533911.db2.gz PBEOQPYEZSYOEO-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1-c1nn[n-]n1 ZINC000826262450 607533912 /nfs/dbraw/zinc/53/39/12/607533912.db2.gz PBEOQPYEZSYOEO-UHFFFAOYSA-N -2 3 372.410 1.383 20 0 FDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739784702 601988029 /nfs/dbraw/zinc/98/80/29/601988029.db2.gz PXPBMBFAXPCSGS-JTQLQIEISA-N -2 3 374.390 1.281 20 0 FDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000833323409 601990152 /nfs/dbraw/zinc/99/01/52/601990152.db2.gz QCWJITWGVPYLIB-VIFPVBQESA-N -2 3 371.802 1.583 20 0 FDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC000769491715 602067145 /nfs/dbraw/zinc/06/71/45/602067145.db2.gz GLABLLLNMNYBST-UHFFFAOYSA-N -2 3 366.370 1.613 20 0 FDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c1F ZINC000317731087 602114889 /nfs/dbraw/zinc/11/48/89/602114889.db2.gz LDJTUAPPSJHVEE-SSDOTTSWSA-N -2 3 369.436 1.790 20 0 FDADHL CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000079741795 602157870 /nfs/dbraw/zinc/15/78/70/602157870.db2.gz ANFZBXGMJADYRO-LURJTMIESA-N -2 3 356.194 1.444 20 0 FDADHL C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000827790238 602386855 /nfs/dbraw/zinc/38/68/55/602386855.db2.gz OYADXFROGAHVPP-DGCLKSJQSA-N -2 3 353.396 1.811 20 0 FDADHL O=C([O-])N[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000740691293 602938652 /nfs/dbraw/zinc/93/86/52/602938652.db2.gz QFDMLXMINBWYBY-ZDUSSCGKSA-N -2 3 362.363 1.557 20 0 FDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830862072 603140849 /nfs/dbraw/zinc/14/08/49/603140849.db2.gz SWGPFUTVNJPSOH-PBINXNQUSA-N -2 3 362.839 1.334 20 0 FDADHL COC(=O)c1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])oc1C ZINC000828761416 603492319 /nfs/dbraw/zinc/49/23/19/603492319.db2.gz SWPPBTQRYGLPSJ-FGWVZKOKSA-N -2 3 372.399 1.326 20 0 FDADHL O=C([O-])NCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000832608539 603887958 /nfs/dbraw/zinc/88/79/58/603887958.db2.gz IBDNLBOIXMBGNE-UHFFFAOYSA-N -2 3 364.139 1.983 20 0 FDADHL C[C@@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000825172450 603908193 /nfs/dbraw/zinc/90/81/93/603908193.db2.gz UHDHPROAUVNALX-SECBINFHSA-N -2 3 369.805 1.879 20 0 FDADHL CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H]1N1CCOCC1 ZINC000826692019 603986657 /nfs/dbraw/zinc/98/66/57/603986657.db2.gz YTZYUCGQAAPDJR-SWLSCSKDSA-N -2 3 363.414 1.665 20 0 FDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCN(C)C(=O)[O-])c1F ZINC000828737972 604205543 /nfs/dbraw/zinc/20/55/43/604205543.db2.gz FYYANDQQPXTLMT-UHFFFAOYSA-N -2 3 366.342 1.030 20 0 FDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000826250067 607681602 /nfs/dbraw/zinc/68/16/02/607681602.db2.gz JCBLZFGPDCCRAG-UHFFFAOYSA-N -2 3 363.337 1.771 20 0 FDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000826250067 607681603 /nfs/dbraw/zinc/68/16/03/607681603.db2.gz JCBLZFGPDCCRAG-UHFFFAOYSA-N -2 3 363.337 1.771 20 0 FDADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)nc1Cl ZINC000776508424 604407337 /nfs/dbraw/zinc/40/73/37/604407337.db2.gz YCJLJDNLHLLJLC-SNVBAGLBSA-N -2 3 365.745 1.456 20 0 FDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(Cl)c1 ZINC000833700609 604701467 /nfs/dbraw/zinc/70/14/67/604701467.db2.gz NXLGRBYOJPYYJQ-UHFFFAOYSA-N -2 3 369.786 1.594 20 0 FDADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000833698783 604706948 /nfs/dbraw/zinc/70/69/48/604706948.db2.gz WEVRRKLKFRHWRQ-DZGCQCFKSA-N -2 3 350.396 1.702 20 0 FDADHL C[C@@]1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC[C@H]1C(=O)[O-] ZINC000833573462 605065816 /nfs/dbraw/zinc/06/58/16/605065816.db2.gz XNRRIQFUAJKEDA-MEDUHNTESA-N -2 3 351.428 1.632 20 0 FDADHL O=C([O-])N[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832376013 605191396 /nfs/dbraw/zinc/19/13/96/605191396.db2.gz PVNZDTJALVQEDW-SECBINFHSA-N -2 3 358.192 1.706 20 0 FDADHL CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833436464 605204092 /nfs/dbraw/zinc/20/40/92/605204092.db2.gz HVXYEFNSJXRIIL-LLVKDONJSA-N -2 3 374.415 1.656 20 0 FDADHL CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833470283 605212063 /nfs/dbraw/zinc/21/20/63/605212063.db2.gz IVZRWNZQRLJGKO-ZDUSSCGKSA-N -2 3 365.398 1.984 20 0 FDADHL O=C([O-])N1CC[C@](F)(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831900814 605415643 /nfs/dbraw/zinc/41/56/43/605415643.db2.gz BGEJLOKNZZYXKZ-CYBMUJFWSA-N -2 3 361.167 1.863 20 0 FDADHL C[C@@]1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO[C@@H]1C1CC1 ZINC000833571968 605425419 /nfs/dbraw/zinc/42/54/19/605425419.db2.gz QSDWIIHGLPKBJV-UKRRQHHQSA-N -2 3 361.366 1.899 20 0 FDADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000834069288 605728014 /nfs/dbraw/zinc/72/80/14/605728014.db2.gz VHTXHMJZTSXSOO-UHFFFAOYSA-N -2 3 356.297 1.733 20 0 FDADHL CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000823839260 605788811 /nfs/dbraw/zinc/78/88/11/605788811.db2.gz QHZWOLZFGWDIDO-CQSZACIVSA-N -2 3 363.414 1.359 20 0 FDADHL 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