smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2s1 ZINC000432185995 978704846 /nfs/dbraw/zinc/70/48/46/978704846.db2.gz NMVUIERRPFYHSZ-UHFFFAOYSA-N -2 0 421.456 3.827 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(SCCC(=O)[O-])c1 ZINC000460444501 982236451 /nfs/dbraw/zinc/23/64/51/982236451.db2.gz PLXOOWRYDBHCFX-UHFFFAOYSA-N -2 0 410.473 3.579 20 5 HHBDRL Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000484787740 997137040 /nfs/dbraw/zinc/13/70/40/997137040.db2.gz WWDQHXNYQVTUPR-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C(F)(F)F ZINC000588853876 1073308322 /nfs/dbraw/zinc/30/83/22/1073308322.db2.gz DNICFDDDQQQKHR-SNVBAGLBSA-N -2 0 420.365 3.739 20 5 HHBDRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438793669 983074422 /nfs/dbraw/zinc/07/44/22/983074422.db2.gz LQGWGQDGOHEPHV-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000484552096 996883850 /nfs/dbraw/zinc/88/38/50/996883850.db2.gz LJICLOGISFTPKF-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC000485205916 997580846 /nfs/dbraw/zinc/58/08/46/997580846.db2.gz DNAAEKZBEPKPRR-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000533169831 1007508728 /nfs/dbraw/zinc/50/87/28/1007508728.db2.gz GGHADSOSOOWEPH-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000546538530 1009560494 /nfs/dbraw/zinc/56/04/94/1009560494.db2.gz LHWDRHSTTOHWRT-UHFFFAOYSA-N -2 0 408.766 3.664 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc(Cl)c1Cl ZINC000547908907 1010467272 /nfs/dbraw/zinc/46/72/72/1010467272.db2.gz WZNOHTYNXSDYPR-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000541307360 1012013198 /nfs/dbraw/zinc/01/31/98/1012013198.db2.gz YRJYGTFJKVBYLZ-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000590598384 1073933644 /nfs/dbraw/zinc/93/36/44/1073933644.db2.gz ZBOQMGZMBYVSAR-UHFFFAOYSA-N -2 0 422.312 3.560 20 5 HHBDRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000013344955 962387929 /nfs/dbraw/zinc/38/79/29/962387929.db2.gz PDPDWGNWDWJREU-NTEUORMPSA-N -2 0 405.410 3.923 20 5 HHBDRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)cs1 ZINC000471116766 989221025 /nfs/dbraw/zinc/22/10/25/989221025.db2.gz OYHOZMIQGDEKPF-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc([N+](=O)[O-])c1 ZINC000473442196 994291455 /nfs/dbraw/zinc/29/14/55/994291455.db2.gz ICZAIBMXFZWXQR-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000518660175 1008382871 /nfs/dbraw/zinc/38/28/71/1008382871.db2.gz AAFMYOJFNINPCU-UHFFFAOYSA-N -2 0 406.338 3.519 20 5 HHBDRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000548197901 1010559614 /nfs/dbraw/zinc/55/96/14/1010559614.db2.gz YLJAHTZNTVSCIN-UHFFFAOYSA-N -2 0 418.349 3.729 20 5 HHBDRL COc1cc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000436799711 981567608 /nfs/dbraw/zinc/56/76/08/981567608.db2.gz YYQGXHUMQCXEOU-QPEQYQDCSA-N -2 0 421.409 3.541 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(SCCC(=O)[O-])c1 ZINC000460452587 982246690 /nfs/dbraw/zinc/24/66/90/982246690.db2.gz RDUGSHMYDTUWBE-UHFFFAOYSA-N -2 0 424.500 3.888 20 5 HHBDRL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)ccc1[O-] ZINC000443534222 985705275 /nfs/dbraw/zinc/70/52/75/985705275.db2.gz YOAVQDMZSQALFS-UHFFFAOYSA-N -2 0 424.328 3.572 20 5 HHBDRL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000470440075 988412929 /nfs/dbraw/zinc/41/29/29/988412929.db2.gz BAPWDKCAZWEMNA-UHFFFAOYSA-N -2 0 410.791 3.802 20 5 HHBDRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471113822 989216911 /nfs/dbraw/zinc/21/69/11/989216911.db2.gz QHRXJBTXHLGQBY-UHFFFAOYSA-N -2 0 416.864 3.859 20 5 HHBDRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000504672790 1000319632 /nfs/dbraw/zinc/31/96/32/1000319632.db2.gz DYYBVRCUBALBFN-SECBINFHSA-N -2 0 416.864 3.614 20 5 HHBDRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000531194282 1006039215 /nfs/dbraw/zinc/03/92/15/1006039215.db2.gz DFFPMRKCMDMGCZ-UHFFFAOYSA-N -2 0 419.242 3.963 20 5 HHBDRL O=C([O-])c1ccoc1COc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000520813478 1009877646 /nfs/dbraw/zinc/87/76/46/1009877646.db2.gz IRPMNBJCECYZJR-UTCJRWHESA-N -2 0 410.338 3.729 20 5 HHBDRL CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000021363436 963455886 /nfs/dbraw/zinc/45/58/86/963455886.db2.gz VPMQMKGQPHYKSZ-UHFFFAOYSA-N -2 0 420.365 3.909 20 5 HHBDRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000427300157 975036314 /nfs/dbraw/zinc/03/63/14/975036314.db2.gz CADAQSXOLGUCKJ-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cs1 ZINC000437656896 982274106 /nfs/dbraw/zinc/27/41/06/982274106.db2.gz KHBFOHVJSKUQDB-UHFFFAOYSA-N -2 0 405.457 3.842 20 5 HHBDRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471135862 989246836 /nfs/dbraw/zinc/24/68/36/989246836.db2.gz FYORXWBYCHDALC-UHFFFAOYSA-N -2 0 414.823 3.536 20 5 HHBDRL Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000471566283 989766762 /nfs/dbraw/zinc/76/67/62/989766762.db2.gz JOKKYCPCYJJANE-AWEZNQCLSA-N -2 0 416.459 3.524 20 5 HHBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(F)(F)F ZINC000484929150 997304269 /nfs/dbraw/zinc/30/42/69/997304269.db2.gz WOLGXSZOQKRKHS-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000479203287 999324616 /nfs/dbraw/zinc/32/46/16/999324616.db2.gz WEWVSCJFBPKFBD-UHFFFAOYSA-N -2 0 418.349 3.729 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463786428 986777087 /nfs/dbraw/zinc/77/70/87/986777087.db2.gz ZGQNLSLLLDPVDA-GFCCVEGCSA-N -2 0 412.851 3.702 20 5 HHBDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467756760 993001737 /nfs/dbraw/zinc/00/17/37/993001737.db2.gz WEVLYBKBJGAKBB-UHFFFAOYSA-N -2 0 418.383 3.788 20 5 HHBDRL Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)o1 ZINC000475827856 996397181 /nfs/dbraw/zinc/39/71/81/996397181.db2.gz CWALQZINZAKCCI-UHFFFAOYSA-N -2 0 416.411 3.971 20 5 HHBDRL Cc1c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000485212374 997586455 /nfs/dbraw/zinc/58/64/55/997586455.db2.gz QAMRWDNVLZBAEP-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL CCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480225043 999749838 /nfs/dbraw/zinc/74/98/38/999749838.db2.gz LTADYUKLEXPRHJ-UHFFFAOYSA-N -2 0 422.850 3.503 20 5 HHBDRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000498285647 1001755425 /nfs/dbraw/zinc/75/54/25/1001755425.db2.gz FDPSMIHWDGKCAW-NTEUORMPSA-N -2 0 405.410 3.923 20 5 HHBDRL CCCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1-c1ccccc1 ZINC000543022326 1008602167 /nfs/dbraw/zinc/60/21/67/1008602167.db2.gz DZCKTSHERFFCNG-UHFFFAOYSA-N -2 0 416.459 3.548 20 5 HHBDRL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000410403106 974003119 /nfs/dbraw/zinc/00/31/19/974003119.db2.gz RIECBCJSWRLLRG-UHFFFAOYSA-N -2 0 407.448 3.613 20 5 HHBDRL CCCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000432054710 978662696 /nfs/dbraw/zinc/66/26/96/978662696.db2.gz MPKNFOYXYCQKFX-UHFFFAOYSA-N -2 0 416.459 3.548 20 5 HHBDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463799785 986791686 /nfs/dbraw/zinc/79/16/86/986791686.db2.gz OUIWAHWQHFMCKR-UHFFFAOYSA-N -2 0 421.818 3.604 20 5 HHBDRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2s1 ZINC000471125303 989232409 /nfs/dbraw/zinc/23/24/09/989232409.db2.gz PUFQILBHIKKYPV-UHFFFAOYSA-N -2 0 421.456 3.827 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(SCCC(=O)[O-])c1 ZINC000484504013 996832466 /nfs/dbraw/zinc/83/24/66/996832466.db2.gz SUKKXCQOASSGJD-UHFFFAOYSA-N -2 0 424.500 3.888 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000484537597 996869569 /nfs/dbraw/zinc/86/95/69/996869569.db2.gz IKVJTTFABBEXLA-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000484954142 997331752 /nfs/dbraw/zinc/33/17/52/997331752.db2.gz DJOBXZSBLRDGGR-UHFFFAOYSA-N -2 0 414.823 3.534 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc(Cl)c1Cl ZINC000485031401 997395340 /nfs/dbraw/zinc/39/53/40/997395340.db2.gz KOGCCKGLEQOEMI-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)cs1 ZINC000432190897 978706846 /nfs/dbraw/zinc/70/68/46/978706846.db2.gz GPLYFLJIVWDDPX-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000484493308 996817463 /nfs/dbraw/zinc/81/74/63/996817463.db2.gz BFUMDLLXLZHHGU-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1 ZINC000484536029 996868821 /nfs/dbraw/zinc/86/88/21/996868821.db2.gz FMZUVFLAXLWHDL-UHFFFAOYSA-N -2 0 412.832 3.962 20 5 HHBDRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000484940665 997316318 /nfs/dbraw/zinc/31/63/18/997316318.db2.gz PCPVKKMPADBHLN-UHFFFAOYSA-N -2 0 418.349 3.729 20 5 HHBDRL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1C ZINC000504674101 1000320366 /nfs/dbraw/zinc/32/03/66/1000320366.db2.gz VMTHWLYJJFOQFB-LBPRGKRZSA-N -2 0 410.473 3.578 20 5 HHBDRL Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)nn1-c1cccc(Cl)c1 ZINC000539597865 1007918282 /nfs/dbraw/zinc/91/82/82/1007918282.db2.gz VCBNNQSMKIZZON-UHFFFAOYSA-N -2 0 422.850 3.557 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521415213 1010363022 /nfs/dbraw/zinc/36/30/22/1010363022.db2.gz OAQILMSGUNXZGO-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)ccc2o1 ZINC000471119142 989223849 /nfs/dbraw/zinc/22/38/49/989223849.db2.gz PALSBPBDKATYPS-UHFFFAOYSA-N -2 0 419.415 3.533 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471134000 989243294 /nfs/dbraw/zinc/24/32/94/989243294.db2.gz PJHRDKDKUXEPGP-UHFFFAOYSA-N -2 0 412.423 3.685 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(SCCC(=O)[O-])c1 ZINC000484495993 996821158 /nfs/dbraw/zinc/82/11/58/996821158.db2.gz CPGHDMWGVOWRDI-UHFFFAOYSA-N -2 0 410.473 3.579 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000484527976 996860930 /nfs/dbraw/zinc/86/09/30/996860930.db2.gz JAURGYNHKXUDHT-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000484977674 997343786 /nfs/dbraw/zinc/34/37/86/997343786.db2.gz DVSQEORFARGPOB-UHFFFAOYSA-N -2 0 414.823 3.534 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000491597996 1000087909 /nfs/dbraw/zinc/08/79/09/1000087909.db2.gz BHNUOWWXGSKVOW-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000504703379 1000333072 /nfs/dbraw/zinc/33/30/72/1000333072.db2.gz NWQFOGQJIXBWOO-VIFPVBQESA-N -2 0 416.864 3.614 20 5 HHBDRL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000760357594 1072275810 /nfs/dbraw/zinc/27/58/10/1072275810.db2.gz VYMWKBHIYBNQBM-UHFFFAOYSA-N -2 0 410.473 3.984 20 5 HHBDRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000432179227 978702111 /nfs/dbraw/zinc/70/21/11/978702111.db2.gz WRYCKOCAYPIVBX-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000484789892 997140800 /nfs/dbraw/zinc/14/08/00/997140800.db2.gz MSXZQXRNDJAVER-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000485037237 997402384 /nfs/dbraw/zinc/40/23/84/997402384.db2.gz WZWQOPOOJFGERR-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000504679858 1000322941 /nfs/dbraw/zinc/32/29/41/1000322941.db2.gz GGBIFDVZFJIGLA-SECBINFHSA-N -2 0 416.864 3.614 20 5 HHBDRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000504696283 1000330069 /nfs/dbraw/zinc/33/00/69/1000330069.db2.gz WZPVBDYRAJGMFB-LBPRGKRZSA-N -2 0 410.473 3.578 20 5 HHBDRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000548205802 1010561056 /nfs/dbraw/zinc/56/10/56/1010561056.db2.gz MPMILUDROCEHCW-UHFFFAOYSA-N -2 0 418.349 3.729 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000548240455 1010569645 /nfs/dbraw/zinc/56/96/45/1010569645.db2.gz FBXWFYCWKXYLLQ-UHFFFAOYSA-N -2 0 405.215 3.542 20 5 HHBDRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463787392 986778824 /nfs/dbraw/zinc/77/88/24/986778824.db2.gz JQIHMQMGFPCJHC-HNNXBMFYSA-N -2 0 406.460 3.666 20 5 HHBDRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000475828400 996397818 /nfs/dbraw/zinc/39/78/18/996397818.db2.gz PTTYEUWYCIQIMG-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL Cc1sc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000484507507 996837095 /nfs/dbraw/zinc/83/70/95/996837095.db2.gz XUNMNCJAWCGGKW-UHFFFAOYSA-N -2 0 416.502 3.641 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486091399 998538050 /nfs/dbraw/zinc/53/80/50/998538050.db2.gz XLOVMONPGJFGLV-UHFFFAOYSA-N -2 0 410.496 3.776 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000479558442 999477387 /nfs/dbraw/zinc/47/73/87/999477387.db2.gz XKAMEFXDNJBGHR-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000541805182 1012687850 /nfs/dbraw/zinc/68/78/50/1012687850.db2.gz WANPJOMEILSBHJ-UHFFFAOYSA-N -2 0 422.459 3.799 20 5 HHBDRL CC(C)Oc1c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000410399910 973999318 /nfs/dbraw/zinc/99/93/18/973999318.db2.gz XGIBOGADKXUITD-UHFFFAOYSA-N -2 0 414.823 3.534 20 5 HHBDRL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cc4ccccc4s3)[nH]n2)ccc1[O-] ZINC000432489188 978843767 /nfs/dbraw/zinc/84/37/67/978843767.db2.gz NZPAWNQVVYCRRR-UHFFFAOYSA-N -2 0 416.440 3.706 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000471113521 989216645 /nfs/dbraw/zinc/21/66/45/989216645.db2.gz AUJRIPBBQNNWBW-UHFFFAOYSA-N -2 0 420.443 3.553 20 5 HHBDRL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471119506 989225015 /nfs/dbraw/zinc/22/50/15/989225015.db2.gz VFDODNZMSRQDPB-UHFFFAOYSA-N -2 0 422.459 3.717 20 5 HHBDRL CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000471131162 989240092 /nfs/dbraw/zinc/24/00/92/989240092.db2.gz AQBBNULCBZMFNJ-UHFFFAOYSA-N -2 0 414.823 3.536 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1[N+](=O)[O-] ZINC000471134531 989244466 /nfs/dbraw/zinc/24/44/66/989244466.db2.gz TWVOSIGBEKJBIF-UHFFFAOYSA-N -2 0 419.440 3.581 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)ccc1[N+](=O)[O-] ZINC000471138218 989248763 /nfs/dbraw/zinc/24/87/63/989248763.db2.gz WBHVVHQUDRTILZ-UHFFFAOYSA-N -2 0 421.818 3.538 20 5 HHBDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000467766021 993008898 /nfs/dbraw/zinc/00/88/98/993008898.db2.gz CVXZHLGDOKLGQT-UHFFFAOYSA-N -2 0 417.399 3.739 20 5 HHBDRL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535067454 1007088328 /nfs/dbraw/zinc/08/83/28/1007088328.db2.gz IUFWRHNENMQPQM-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000440820127 983921232 /nfs/dbraw/zinc/92/12/32/983921232.db2.gz XQBHOUIRGUPYFO-UHFFFAOYSA-N -2 0 413.411 3.837 20 5 HHBDRL CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471119563 989224832 /nfs/dbraw/zinc/22/48/32/989224832.db2.gz WKFDKOFVIBQTSR-UHFFFAOYSA-N -2 0 408.432 3.519 20 5 HHBDRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000481453268 994289961 /nfs/dbraw/zinc/28/99/61/994289961.db2.gz VCLZMJPIYBQUJW-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000486100398 998548590 /nfs/dbraw/zinc/54/85/90/998548590.db2.gz LKKLITHJNMIIBV-UHFFFAOYSA-N -2 0 416.459 3.719 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(SCCC(=O)[O-])c1 ZINC000547878827 1010459843 /nfs/dbraw/zinc/45/98/43/1010459843.db2.gz DUYUDWWXIYORGE-UHFFFAOYSA-N -2 0 424.500 3.888 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000577017680 1072670376 /nfs/dbraw/zinc/67/03/76/1072670376.db2.gz DGYNWSYDGBSVQU-UHFFFAOYSA-N -2 0 422.793 3.707 20 5 HHBDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598117 1073933021 /nfs/dbraw/zinc/93/30/21/1073933021.db2.gz MWXSRENYWGMZBR-UHFFFAOYSA-N -2 0 402.787 3.503 20 5 HHBDRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000590598139 1073933067 /nfs/dbraw/zinc/93/30/67/1073933067.db2.gz OJCLFALDWFWXST-UHFFFAOYSA-N -2 0 422.312 3.560 20 5 HHBDRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC000432201220 978711144 /nfs/dbraw/zinc/71/11/44/978711144.db2.gz JUXQNYBRDWQKPC-UHFFFAOYSA-N -2 0 419.415 3.533 20 5 HHBDRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436797744 981566954 /nfs/dbraw/zinc/56/69/54/981566954.db2.gz PDPDWGNWDWJREU-ZROIWOOFSA-N -2 0 405.410 3.923 20 5 HHBDRL Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000437650744 982268877 /nfs/dbraw/zinc/26/88/77/982268877.db2.gz BXNXIUGHDBWETK-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463787394 986779072 /nfs/dbraw/zinc/77/90/72/986779072.db2.gz JQIHMQMGFPCJHC-OAHLLOKOSA-N -2 0 406.460 3.666 20 5 HHBDRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000484974620 997342775 /nfs/dbraw/zinc/34/27/75/997342775.db2.gz VYFHPKHBKRIJCJ-UHFFFAOYSA-N -2 0 414.823 3.536 20 5 HHBDRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1C(C)C ZINC000480229921 999751243 /nfs/dbraw/zinc/75/12/43/999751243.db2.gz QBNPJASVQQIGJS-UHFFFAOYSA-N -2 0 424.479 3.522 20 5 HHBDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547878979 1010459468 /nfs/dbraw/zinc/45/94/68/1010459468.db2.gz JBVYGCXZVSIHEM-UHFFFAOYSA-N -2 0 423.205 3.848 20 5 HHBDRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000432190771 978706889 /nfs/dbraw/zinc/70/68/89/978706889.db2.gz GXRAJQFAOIWWQA-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463785409 986776266 /nfs/dbraw/zinc/77/62/66/986776266.db2.gz WKSSDPRHWGJWPU-HNNXBMFYSA-N -2 0 406.460 3.666 20 5 HHBDRL Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000471566284 989766770 /nfs/dbraw/zinc/76/67/70/989766770.db2.gz JOKKYCPCYJJANE-CQSZACIVSA-N -2 0 416.459 3.524 20 5 HHBDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000475746813 996344809 /nfs/dbraw/zinc/34/48/09/996344809.db2.gz JQQGTRMMVWAGEV-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(SCCC(=O)[O-])c1 ZINC000484495457 996819781 /nfs/dbraw/zinc/81/97/81/996819781.db2.gz FTARHUGDOQPUCZ-UHFFFAOYSA-N -2 0 410.473 3.579 20 5 HHBDRL CCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480243489 999754895 /nfs/dbraw/zinc/75/48/95/999754895.db2.gz DVMFIPWHMVOBIC-UHFFFAOYSA-N -2 0 422.850 3.503 20 5 HHBDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000548534571 1010658443 /nfs/dbraw/zinc/65/84/43/1010658443.db2.gz WSCCAEZAADDNII-UHFFFAOYSA-N -2 0 422.312 3.560 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000760344900 1072267146 /nfs/dbraw/zinc/26/71/46/1072267146.db2.gz VPLJAFXOSOUSFJ-UHFFFAOYSA-N -2 0 422.362 3.706 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000471113798 989216763 /nfs/dbraw/zinc/21/67/63/989216763.db2.gz QFPAWLXNVQYGEM-UHFFFAOYSA-N -2 0 418.349 3.589 20 5 HHBDRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000475824082 996394432 /nfs/dbraw/zinc/39/44/32/996394432.db2.gz BZYRKVBTIVPHDE-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000484521206 996851894 /nfs/dbraw/zinc/85/18/94/996851894.db2.gz BCJRIQBABFHZPG-UHFFFAOYSA-N -2 0 409.178 3.540 20 5 HHBDRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1C(CC)CC ZINC000480199913 999742998 /nfs/dbraw/zinc/74/29/98/999742998.db2.gz ROVLWSVMUVYNEA-UHFFFAOYSA-N -2 0 424.479 3.522 20 5 HHBDRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000504672791 1000319721 /nfs/dbraw/zinc/31/97/21/1000319721.db2.gz DYYBVRCUBALBFN-VIFPVBQESA-N -2 0 416.864 3.614 20 5 HHBDRL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000535025397 1007069960 /nfs/dbraw/zinc/06/99/60/1007069960.db2.gz ZTWLGWDSOVVRFF-UHFFFAOYSA-N -2 0 419.459 3.838 20 5 HHBDRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-n2cccc2C(=O)[O-])c(C)c1 ZINC000110135668 969628211 /nfs/dbraw/zinc/62/82/11/969628211.db2.gz VNLPMRFSTBSKCA-UHFFFAOYSA-N -2 0 415.427 3.501 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(SCCC(=O)[O-])c1 ZINC000460451629 982245663 /nfs/dbraw/zinc/24/56/63/982245663.db2.gz VDPTVUXMWKTFJO-UHFFFAOYSA-N -2 0 410.473 3.579 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000463780564 986770600 /nfs/dbraw/zinc/77/06/00/986770600.db2.gz FTABQYGKWSHPKE-GFCCVEGCSA-N -2 0 412.851 3.702 20 5 HHBDRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463785756 986776247 /nfs/dbraw/zinc/77/62/47/986776247.db2.gz BBMDDNSVMGGCCC-LBPRGKRZSA-N -2 0 415.427 3.522 20 5 HHBDRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471114806 989218661 /nfs/dbraw/zinc/21/86/61/989218661.db2.gz GECHUVGYOXTMBA-UHFFFAOYSA-N -2 0 414.823 3.534 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000471135135 989245833 /nfs/dbraw/zinc/24/58/33/989245833.db2.gz ZXZFHBXSJWOGBJ-UHFFFAOYSA-N -2 0 404.425 3.822 20 5 HHBDRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000484553125 996884633 /nfs/dbraw/zinc/88/46/33/996884633.db2.gz DLZHUGDHZLERII-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL 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Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000499262292 1002665116 /nfs/dbraw/zinc/66/51/16/1002665116.db2.gz BETJDKSXPVPKLD-UHFFFAOYSA-N -2 0 400.840 3.850 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000522691552 1011160998 /nfs/dbraw/zinc/16/09/98/1011160998.db2.gz AGGRRWPZBLYNDD-UHFFFAOYSA-N -2 0 420.424 3.948 20 5 HHBDRL O=C(Nc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1)C1CCCCC1 ZINC000425960447 974064108 /nfs/dbraw/zinc/06/41/08/974064108.db2.gz XJBXQUSLDYOUJO-UHFFFAOYSA-N -2 0 419.459 3.620 20 5 HHBDRL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000432184041 978704343 /nfs/dbraw/zinc/70/43/43/978704343.db2.gz BJMBESQTBNKNMF-UHFFFAOYSA-N -2 0 424.406 3.554 20 5 HHBDRL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440822394 983922141 /nfs/dbraw/zinc/92/21/41/983922141.db2.gz UBEAGHDBNCXOEO-UHFFFAOYSA-N -2 0 413.411 3.837 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463785411 986775998 /nfs/dbraw/zinc/77/59/98/986775998.db2.gz WKSSDPRHWGJWPU-OAHLLOKOSA-N -2 0 406.460 3.666 20 5 HHBDRL Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)n1 ZINC000471109139 989210244 /nfs/dbraw/zinc/21/02/44/989210244.db2.gz BWFPTASPCDOWOO-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000480208032 999745717 /nfs/dbraw/zinc/74/57/17/999745717.db2.gz HHAPWASSRDHVEW-UHFFFAOYSA-N -2 0 416.459 3.719 20 5 HHBDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000541927242 1012787607 /nfs/dbraw/zinc/78/76/07/1012787607.db2.gz FPVKRVYASCCSGH-UHFFFAOYSA-N -2 0 412.851 3.765 20 5 HHBDRL CCCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431901477 978587463 /nfs/dbraw/zinc/58/74/63/978587463.db2.gz LZTJCGFJXQCZRB-UHFFFAOYSA-N -2 0 416.459 3.548 20 5 HHBDRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463777840 986768054 /nfs/dbraw/zinc/76/80/54/986768054.db2.gz KDZMOSAIKPIMCN-LBPRGKRZSA-N -2 0 412.851 3.702 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(SCCC(=O)[O-])c1 ZINC000491571588 1000084409 /nfs/dbraw/zinc/08/44/09/1000084409.db2.gz FXCXUFDPJOQJJW-UHFFFAOYSA-N -2 0 424.500 3.888 20 5 HHBDRL O=C([O-])c1c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000548557716 1010664875 /nfs/dbraw/zinc/66/48/75/1010664875.db2.gz NDPCSVKFAHBXCN-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C(F)(F)F ZINC000588853875 1073308256 /nfs/dbraw/zinc/30/82/56/1073308256.db2.gz DNICFDDDQQQKHR-JTQLQIEISA-N -2 0 420.365 3.739 20 5 HHBDRL Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000437658645 982276013 /nfs/dbraw/zinc/27/60/13/982276013.db2.gz OECZPJCJLVBXDR-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000463777839 986768234 /nfs/dbraw/zinc/76/82/34/986768234.db2.gz KDZMOSAIKPIMCN-GFCCVEGCSA-N -2 0 412.851 3.702 20 5 HHBDRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000484983328 997346627 /nfs/dbraw/zinc/34/66/27/997346627.db2.gz AIXQOCSSDXUTLV-UHFFFAOYSA-N -2 0 414.823 3.536 20 5 HHBDRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000504673247 1000319678 /nfs/dbraw/zinc/31/96/78/1000319678.db2.gz KNMNQXZKWXHUQX-LBPRGKRZSA-N -2 0 410.473 3.578 20 5 HHBDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])cc1[N+](=O)[O-] ZINC000517346700 1007585597 /nfs/dbraw/zinc/58/55/97/1007585597.db2.gz XXEUQBQAWYIOLU-UHFFFAOYSA-N -2 0 409.807 3.537 20 5 HHBDRL CC(C)(C)Nc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000548215699 1010562930 /nfs/dbraw/zinc/56/29/30/1010562930.db2.gz FIIOZHWXKODCJD-UHFFFAOYSA-N -2 0 417.440 3.505 20 5 HHBDRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000548590358 1010674362 /nfs/dbraw/zinc/67/43/62/1010674362.db2.gz KWBDQOVLUREQHG-UHFFFAOYSA-N -2 0 418.349 3.675 20 5 HHBDRL COc1cc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000013344893 962388339 /nfs/dbraw/zinc/38/83/39/962388339.db2.gz YYQGXHUMQCXEOU-NTUHNPAUSA-N -2 0 421.409 3.541 20 5 HHBDRL Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C(=O)[O-] ZINC000438763730 983055101 /nfs/dbraw/zinc/05/51/01/983055101.db2.gz HUHKEOHHGMOVLS-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)ccc1[N+](=O)[O-] ZINC000471113936 989216842 /nfs/dbraw/zinc/21/68/42/989216842.db2.gz CSFUOTIPJCBDPU-UHFFFAOYSA-N -2 0 404.425 3.822 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000484546683 996880034 /nfs/dbraw/zinc/88/00/34/996880034.db2.gz YDLFRPYIRWWRTF-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000484943670 997320741 /nfs/dbraw/zinc/32/07/41/997320741.db2.gz HFJUREWVBZDMIZ-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000485215979 997590320 /nfs/dbraw/zinc/59/03/20/997590320.db2.gz YGYDFGWGFCJBST-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000479195450 999321204 /nfs/dbraw/zinc/32/12/04/999321204.db2.gz VVAPAVPRFYSEBX-OAHLLOKOSA-N -2 0 406.460 3.666 20 5 HHBDRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000504594202 1000285435 /nfs/dbraw/zinc/28/54/35/1000285435.db2.gz VXHAMXVOWGYAFA-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000531775557 1006415963 /nfs/dbraw/zinc/41/59/63/1006415963.db2.gz VZKBAZXJUIRCMC-UHFFFAOYSA-N -2 0 421.818 3.604 20 5 HHBDRL O=C([O-])c1c([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000548555616 1010663485 /nfs/dbraw/zinc/66/34/85/1010663485.db2.gz XUTAMOJXOPXNGG-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463524944 986501786 /nfs/dbraw/zinc/50/17/86/986501786.db2.gz GPMNYFAHYYNIPF-UHFFFAOYSA-N -2 0 415.427 3.765 20 5 HHBDRL Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1-c1cc(C)ccc1C ZINC000499297115 1002706839 /nfs/dbraw/zinc/70/68/39/1002706839.db2.gz WBCIHHLLUFAHPY-UHFFFAOYSA-N -2 0 416.459 3.521 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000515649712 1006575079 /nfs/dbraw/zinc/57/50/79/1006575079.db2.gz WESCLMJFPFRROG-UHFFFAOYSA-N -2 0 414.439 3.989 20 5 HHBDRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547871301 1010458256 /nfs/dbraw/zinc/45/82/56/1010458256.db2.gz QUASMWAWQQXHFY-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000410054648 973538523 /nfs/dbraw/zinc/53/85/23/973538523.db2.gz MATDABRGWQWJBL-UHFFFAOYSA-N -2 0 419.440 3.526 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(SCCC(=O)[O-])c1 ZINC000460452753 982246502 /nfs/dbraw/zinc/24/65/02/982246502.db2.gz XRIHGVXDWBDJMI-UHFFFAOYSA-N -2 0 410.473 3.579 20 5 HHBDRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000438803397 983080619 /nfs/dbraw/zinc/08/06/19/983080619.db2.gz FLSPNKNPXQUMGP-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000475742723 996341681 /nfs/dbraw/zinc/34/16/81/996341681.db2.gz SINNSHZCIZRSSY-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000484922039 997296539 /nfs/dbraw/zinc/29/65/39/997296539.db2.gz AFNXHFOIVJCPBE-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000485072966 997441480 /nfs/dbraw/zinc/44/14/80/997441480.db2.gz PQCXRGWNDXMMJG-UHFFFAOYSA-N -2 0 405.215 3.709 20 5 HHBDRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000504696282 1000329999 /nfs/dbraw/zinc/32/99/99/1000329999.db2.gz WZPVBDYRAJGMFB-GFCCVEGCSA-N -2 0 410.473 3.578 20 5 HHBDRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000548193308 1010558615 /nfs/dbraw/zinc/55/86/15/1010558615.db2.gz BHYPEAIKDRAWBR-UHFFFAOYSA-N -2 0 424.740 3.766 20 5 HHBDRL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000432178372 978701780 /nfs/dbraw/zinc/70/17/80/978701780.db2.gz QNPIPQYOVUGCCL-UHFFFAOYSA-N -2 0 412.423 3.685 20 5 HHBDRL CCc1c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480243876 999754846 /nfs/dbraw/zinc/75/48/46/999754846.db2.gz FUCWGIUHPISUFG-UHFFFAOYSA-N -2 0 422.850 3.503 20 5 HHBDRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000504673246 1000319738 /nfs/dbraw/zinc/31/97/38/1000319738.db2.gz KNMNQXZKWXHUQX-GFCCVEGCSA-N -2 0 410.473 3.578 20 5 HHBDRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000504679859 1000323028 /nfs/dbraw/zinc/32/30/28/1000323028.db2.gz GGBIFDVZFJIGLA-VIFPVBQESA-N -2 0 416.864 3.614 20 5 HHBDRL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1F ZINC000760362604 1072279743 /nfs/dbraw/zinc/27/97/43/1072279743.db2.gz RDBUJFQKHIMXOU-UHFFFAOYSA-N -2 0 423.205 3.848 20 5 HHBDRL