smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4C[C@H]4[N+](=O)[O-])n3)c2)n1 ZINC000078774687 202399949 /nfs/dbraw/zinc/39/99/49/202399949.db2.gz NKYVQSQOBHSGTQ-LSDHHAIUSA-N 0 2 339.355 2.731 40 5 EFBBLN Cc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000034921385 471992887 /nfs/dbraw/zinc/99/28/87/471992887.db2.gz NYOPBMUGCVJTKD-UHFFFAOYSA-N 0 2 331.353 2.736 40 5 EFBBLN O=C(/C=C/c1cccs1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000036092508 471999449 /nfs/dbraw/zinc/99/94/49/471999449.db2.gz PXARLEQJOOQKOW-GQCTYLIASA-N 0 2 349.393 2.888 40 5 EFBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000036541000 472001769 /nfs/dbraw/zinc/00/17/69/472001769.db2.gz UTKLRCDFZANWEL-UHFFFAOYSA-N 0 2 335.316 2.566 40 5 EFBBLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000069674486 472395228 /nfs/dbraw/zinc/39/52/28/472395228.db2.gz POLQWZJJIOSXGV-UHFFFAOYSA-N 0 2 327.749 2.752 40 5 EFBBLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000069674452 472395398 /nfs/dbraw/zinc/39/53/98/472395398.db2.gz ACOQZMNRSVYNLA-UHFFFAOYSA-N 0 2 327.749 2.752 40 5 EFBBLN Cc1cc(C)n(Cc2cccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)c2)n1 ZINC000078774685 472767236 /nfs/dbraw/zinc/76/72/36/472767236.db2.gz NKYVQSQOBHSGTQ-HUUCEWRRSA-N 0 2 339.355 2.731 40 5 EFBBLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nccs2)CC1 ZINC000239352074 474545544 /nfs/dbraw/zinc/54/55/44/474545544.db2.gz AAZMHDVUASGDSH-UHFFFAOYSA-N 0 2 333.369 2.777 40 5 EFBBLN CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c(O)c2)[nH]c1=O ZINC000390834174 476805175 /nfs/dbraw/zinc/80/51/75/476805175.db2.gz TZFNFWIBGZZMSU-RMKNXTFCSA-N 0 2 345.311 2.533 40 5 EFBBLN CCOc1ccc(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)cc1 ZINC000059484167 286557973 /nfs/dbraw/zinc/55/79/73/286557973.db2.gz IGDRBHWFNMUKFY-UHFFFAOYSA-N 0 2 333.347 2.578 40 5 EFBBLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000121834948 472926462 /nfs/dbraw/zinc/92/64/62/472926462.db2.gz ZDFCTCILHQHZCN-UHFFFAOYSA-N 0 2 344.352 2.581 40 5 EFBBLN COc1ccc(F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000223691516 474189295 /nfs/dbraw/zinc/18/92/95/474189295.db2.gz GUGMRGBXQOMHCQ-UHFFFAOYSA-N 0 2 340.332 2.852 40 5 EFBBLN O=c1nc(C(F)(F)F)cc(C=Cc2cccc([N+](=O)[O-])c2O)[nH]1 ZINC000408720516 242557175 /nfs/dbraw/zinc/55/71/75/242557175.db2.gz SNWFRTCEAVLERM-SNAWJCMRSA-N 0 2 327.218 2.985 40 5 EFBBLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 ZINC000016098908 304810461 /nfs/dbraw/zinc/81/04/61/304810461.db2.gz PCKWMWBBJCBULJ-UHFFFAOYSA-N 0 2 347.396 2.996 40 5 EFBBLN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000034921099 471993206 /nfs/dbraw/zinc/99/32/06/471993206.db2.gz XCXZISZBFBMYMD-RMKNXTFCSA-N 0 2 343.364 2.827 40 5 EFBBLN COC(=O)c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000078406563 217049243 /nfs/dbraw/zinc/04/92/43/217049243.db2.gz LZOFGTLLQHMVMY-UHFFFAOYSA-N 0 2 348.262 2.670 40 5 EFBBLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000005260089 471496735 /nfs/dbraw/zinc/49/67/35/471496735.db2.gz BUMJFWJJWSHDPR-UHFFFAOYSA-N 0 2 337.313 2.612 40 5 EFBBLN Cc1nc(NS(=O)(=O)Cc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000194678044 473937663 /nfs/dbraw/zinc/93/76/63/473937663.db2.gz MIHHKCIRACPMIW-UHFFFAOYSA-N 0 2 343.311 2.518 40 5 EFBBLN O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 ZINC000409081063 476977402 /nfs/dbraw/zinc/97/74/02/476977402.db2.gz JMCFDWZOBBVOAY-WQLSENKSSA-N 0 2 331.328 2.526 40 5 EFBBLN O=[N+]([O-])c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000216905131 241219439 /nfs/dbraw/zinc/21/94/39/241219439.db2.gz VFWXSCGJWUODBS-UHFFFAOYSA-N 0 2 335.223 2.791 40 5 EFBBLN O=[N+]([O-])[C@H]1C[C@H]1c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774630 217118519 /nfs/dbraw/zinc/11/85/19/217118519.db2.gz JCTYPJWRJAXVSJ-CABCVRRESA-N 0 2 338.323 2.843 40 5 EFBBLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005260182 471496357 /nfs/dbraw/zinc/49/63/57/471496357.db2.gz VKEPEKHHQPOYKO-UHFFFAOYSA-N 0 2 337.313 2.612 40 5 EFBBLN COc1ccc(F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010302038 471732624 /nfs/dbraw/zinc/73/26/24/471732624.db2.gz DUSIYJONGQAUHM-UHFFFAOYSA-N 0 2 326.305 2.543 40 5 EFBBLN CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000014257537 471867015 /nfs/dbraw/zinc/86/70/15/471867015.db2.gz AUBJEFLWTAZJSC-UHFFFAOYSA-N 0 2 345.380 2.990 40 5 EFBBLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc12 ZINC000033936254 471987625 /nfs/dbraw/zinc/98/76/25/471987625.db2.gz JDHXDHJPWQAPOE-VURMDHGXSA-N 0 2 339.307 2.716 40 5 EFBBLN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000097097407 472444822 /nfs/dbraw/zinc/44/48/22/472444822.db2.gz WVUUYCPZOWFWGE-UHFFFAOYSA-N 0 2 344.371 2.537 40 5 EFBBLN CC1=NN(c2nc(C)cc(C)n2)C(=O)C1Cc1ccc([N+](=O)[O-])cc1 ZINC000101419362 219126811 /nfs/dbraw/zinc/12/68/11/219126811.db2.gz UDJFMZPXZWVGJY-UHFFFAOYSA-N 0 2 339.355 2.792 40 5 EFBBLN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccco2)N[C@H](c2ccco2)[C@H]1[N+](=O)[O-] ZINC000036038151 213058351 /nfs/dbraw/zinc/05/83/51/213058351.db2.gz WKSGTJWBIMDLLN-SYQHCUMBSA-N 0 2 335.316 2.575 40 5 EFBBLN O=C(Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100477864 258068803 /nfs/dbraw/zinc/06/88/03/258068803.db2.gz KNYRNCLWUUOMTQ-UHFFFAOYSA-N 0 2 332.228 2.664 40 5 EFBBLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005342095 471501558 /nfs/dbraw/zinc/50/15/58/471501558.db2.gz BSMGLWLOVYYCNM-UHFFFAOYSA-N 0 2 337.313 2.612 40 5 EFBBLN CC1=NN(c2nc(C)cc(C)n2)C(=O)C1Cc1cccc([N+](=O)[O-])c1 ZINC000101311702 472531248 /nfs/dbraw/zinc/53/12/48/472531248.db2.gz FDOXXRVPFZEDHI-UHFFFAOYSA-N 0 2 339.355 2.792 40 5 EFBBLN COc1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000223691335 474188060 /nfs/dbraw/zinc/18/80/60/474188060.db2.gz IMTMJHHRFXHZAJ-UHFFFAOYSA-N 0 2 340.332 2.852 40 5 EFBBLN O=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)S1 ZINC000408812444 476973937 /nfs/dbraw/zinc/97/39/37/476973937.db2.gz MXUWKRYCIXQUTN-SDQBBNPISA-N 0 2 332.293 2.884 40 5 EFBBLN Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4C[C@@H]4[N+](=O)[O-])n3)c2)n1 ZINC000078774682 217118543 /nfs/dbraw/zinc/11/85/43/217118543.db2.gz NKYVQSQOBHSGTQ-GJZGRUSLSA-N 0 2 339.355 2.731 40 5 EFBBLN O=[N+]([O-])[C@@H]1C[C@@H]1c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774636 217118960 /nfs/dbraw/zinc/11/89/60/217118960.db2.gz JCTYPJWRJAXVSJ-LSDHHAIUSA-N 0 2 338.323 2.843 40 5 EFBBLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000003077778 462610500 /nfs/dbraw/zinc/61/05/00/462610500.db2.gz LJMOKJKFUXGMOM-UHFFFAOYSA-N 0 2 339.398 2.731 40 5 EFBBLN COc1ccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)cc1 ZINC000034007650 471988637 /nfs/dbraw/zinc/98/86/37/471988637.db2.gz OBTVYILXIRNVAP-UHFFFAOYSA-N 0 2 338.341 2.767 40 5 EFBBLN Cc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000034931393 471992544 /nfs/dbraw/zinc/99/25/44/471992544.db2.gz BSVOJQRGEJQWNO-UHFFFAOYSA-N 0 2 331.353 2.736 40 5 EFBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000034932125 471992621 /nfs/dbraw/zinc/99/26/21/471992621.db2.gz GBJVRVPJHURINA-UHFFFAOYSA-N 0 2 335.316 2.566 40 5 EFBBLN Cc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000209725337 474128572 /nfs/dbraw/zinc/12/85/72/474128572.db2.gz WSCFUSQYSNRWGR-POZUXBRTSA-N 0 2 337.379 2.517 40 5 EFBBLN Cc1sc(N2CCOCC2)nc1-c1cc(C)cc([N+](=O)[O-])c1O ZINC000035188762 302880376 /nfs/dbraw/zinc/88/03/76/302880376.db2.gz FWWPLNYTEHJDLW-UHFFFAOYSA-N 0 2 335.385 2.877 40 5 EFBBLN Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000236200 471338699 /nfs/dbraw/zinc/33/86/99/471338699.db2.gz MMDQOWJHPOTBNQ-UHFFFAOYSA-N 0 2 349.393 2.736 40 5 EFBBLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005277066 471497926 /nfs/dbraw/zinc/49/79/26/471497926.db2.gz LUHNXVCFTVHAFI-UHFFFAOYSA-N 0 2 337.313 2.612 40 5 EFBBLN CC(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000096469252 473436079 /nfs/dbraw/zinc/43/60/79/473436079.db2.gz OBSRXEJNILIYHU-UHFFFAOYSA-N 0 2 344.780 2.896 40 5 EFBBLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000390832997 476803290 /nfs/dbraw/zinc/80/32/90/476803290.db2.gz AIPQTZFIIHMXNO-UHFFFAOYSA-N 0 2 349.253 2.720 40 5 EFBBLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1C ZINC000055555660 214329629 /nfs/dbraw/zinc/32/96/29/214329629.db2.gz GKRFNODWPRKVPW-UHFFFAOYSA-N 0 2 340.332 2.852 40 5 EFBBLN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[nH]1 ZINC000216904771 241219553 /nfs/dbraw/zinc/21/95/53/241219553.db2.gz HNCZEUKBDFZIAQ-UHFFFAOYSA-N 0 2 330.272 2.588 40 5 EFBBLN CSc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000078556801 217076772 /nfs/dbraw/zinc/07/67/72/217076772.db2.gz YGPATOPLQOSQHU-UHFFFAOYSA-N 0 2 325.371 2.513 40 5 EFBBLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774634 217118623 /nfs/dbraw/zinc/11/86/23/217118623.db2.gz JCTYPJWRJAXVSJ-HUUCEWRRSA-N 0 2 338.323 2.843 40 5 EFBBLN O=[N+]([O-])[C@H]1C[C@@H]1c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774632 217118786 /nfs/dbraw/zinc/11/87/86/217118786.db2.gz JCTYPJWRJAXVSJ-GJZGRUSLSA-N 0 2 338.323 2.843 40 5 EFBBLN O=C(c1cc(F)c(O)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000097377193 323214922 /nfs/dbraw/zinc/21/49/22/323214922.db2.gz RVPKQRIHIDPLOW-UHFFFAOYSA-N 0 2 334.278 2.777 40 5 EFBBLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000059010997 472621830 /nfs/dbraw/zinc/62/18/30/472621830.db2.gz XBIBZGGYBZDKCO-UHFFFAOYSA-N 0 2 342.402 2.545 40 5 EFBBLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000096408033 473386178 /nfs/dbraw/zinc/38/61/78/473386178.db2.gz HGBHPKYOTLYLRX-UHFFFAOYSA-N 0 2 347.274 2.809 40 5 EFBBLN CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000096487206 544559621 /nfs/dbraw/zinc/55/96/21/544559621.db2.gz CONPRQGWCGPFJS-UHFFFAOYSA-N 0 2 335.385 2.850 40 5 EFBBLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1 ZINC000005681580 304804581 /nfs/dbraw/zinc/80/45/81/304804581.db2.gz HXWOKTOKXJLLRZ-UHFFFAOYSA-N 0 2 329.337 2.944 40 5 in-vivo EFBBLN [NH3+][C@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(Cl)cc1 ZINC000095534040 473223956 /nfs/dbraw/zinc/22/39/56/473223956.db2.gz CUZCJIJLCBWTAZ-ZDUSSCGKSA-N 0 2 345.746 2.787 40 5 EFBBLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccoc1Br ZINC000194956680 473983558 /nfs/dbraw/zinc/98/35/58/473983558.db2.gz HVLBFTVCNMAIOP-UHFFFAOYSA-N 0 2 327.090 2.908 40 5 EFBBLN Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000169648792 292219784 /nfs/dbraw/zinc/21/97/84/292219784.db2.gz WSCFUSQYSNRWGR-FNHZYXHNSA-N 0 2 337.379 2.517 40 5 EFBBLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000003142204 462611326 /nfs/dbraw/zinc/61/13/26/462611326.db2.gz DJVFXTUUFNPKGR-UHFFFAOYSA-N 0 2 339.398 2.731 40 5 EFBBLN [NH3+][C@@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(Cl)cc1 ZINC000095534041 473223758 /nfs/dbraw/zinc/22/37/58/473223758.db2.gz CUZCJIJLCBWTAZ-CYBMUJFWSA-N 0 2 345.746 2.787 40 5 EFBBLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194665926 473935378 /nfs/dbraw/zinc/93/53/78/473935378.db2.gz WSJWXRZFQSSBMD-SNVBAGLBSA-N 0 2 336.373 2.563 40 5 EFBBLN Cc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408569420 476968655 /nfs/dbraw/zinc/96/86/55/476968655.db2.gz WSCFUSQYSNRWGR-UCLAIMLFSA-N 0 2 337.379 2.517 40 5 EFBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000033936252 212971848 /nfs/dbraw/zinc/97/18/48/212971848.db2.gz UJWSQKZJPMKPOV-PLNGDYQASA-N 0 2 327.218 2.573 40 5 EFBBLN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1[N+](=O)[O-] ZINC000036038152 202312713 /nfs/dbraw/zinc/31/27/13/202312713.db2.gz WKSGTJWBIMDLLN-MQYQWHSLSA-N 0 2 335.316 2.575 40 5 EFBBLN COCCCOc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000225561925 241928689 /nfs/dbraw/zinc/92/86/89/241928689.db2.gz JOICVCDTXAKFFJ-UHFFFAOYSA-N 0 2 346.339 2.968 40 5 EFBBLN Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000408569421 292219626 /nfs/dbraw/zinc/21/96/26/292219626.db2.gz WSCFUSQYSNRWGR-YJLNNSPDSA-N 0 2 337.379 2.517 40 5 EFBBLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000041095721 472044469 /nfs/dbraw/zinc/04/44/69/472044469.db2.gz ZETISUSVLFVNEI-UHFFFAOYSA-N 0 2 327.749 2.752 40 5 EFBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000014257535 471866536 /nfs/dbraw/zinc/86/65/36/471866536.db2.gz RJZNRVDZCQHLHX-UHFFFAOYSA-N 0 2 335.316 2.566 40 5 EFBBLN O=C1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016478016 471939159 /nfs/dbraw/zinc/93/91/59/471939159.db2.gz HMFIHEZGOHKQKU-UHFFFAOYSA-N 0 2 326.268 2.644 40 5 EFBBLN O=c1cc(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016478016 471939165 /nfs/dbraw/zinc/93/91/65/471939165.db2.gz HMFIHEZGOHKQKU-UHFFFAOYSA-N 0 2 326.268 2.644 40 5 EFBBLN COc1ccc2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000033403677 471983928 /nfs/dbraw/zinc/98/39/28/471983928.db2.gz MZNLIOYOGDKVAO-FPLPWBNLSA-N 0 2 339.307 2.716 40 5 EFBBLN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000057985662 472496269 /nfs/dbraw/zinc/49/62/69/472496269.db2.gz DFJDOWMAMNTTIQ-UHFFFAOYSA-N 0 2 329.356 2.557 40 5 EFBBLN CCc1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000252488360 474674927 /nfs/dbraw/zinc/67/49/27/474674927.db2.gz IQHITADEOPJVOT-UHFFFAOYSA-N 0 2 327.387 2.723 40 5 EFBBLN CCOC(=O)c1ccc(Sc2nc(C(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000216904379 535699838 /nfs/dbraw/zinc/69/98/38/535699838.db2.gz SLJQLOWZOIKVIG-UHFFFAOYSA-N 0 2 344.299 2.978 40 5 EFBBLN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1[N+](=O)[O-] ZINC000019905339 212082136 /nfs/dbraw/zinc/08/21/36/212082136.db2.gz WKSGTJWBIMDLLN-CRWXNKLISA-N 0 2 335.316 2.575 40 5 EFBBLN Cc1cc(C)n(Cc2cccc(-c3noc([C@@H]4C[C@@H]4[N+](=O)[O-])n3)c2)n1 ZINC000078774680 217118657 /nfs/dbraw/zinc/11/86/57/217118657.db2.gz NKYVQSQOBHSGTQ-CABCVRRESA-N 0 2 339.355 2.731 40 5 EFBBLN Cc1nc(NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)sc1C ZINC000095406754 463078908 /nfs/dbraw/zinc/07/89/08/463078908.db2.gz ZBKPBAVAHYZWPG-UHFFFAOYSA-N 0 2 331.350 2.608 40 5 EFBBLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCC2 ZINC000007708962 471632724 /nfs/dbraw/zinc/63/27/24/471632724.db2.gz JBAUGDLBEMZNQZ-UHFFFAOYSA-N 0 2 348.380 2.893 40 5 EFBBLN COC(=O)c1ccc(Sc2nc(C(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000216904221 536804247 /nfs/dbraw/zinc/80/42/47/536804247.db2.gz ZTMMBFHOJNGYQE-UHFFFAOYSA-N 0 2 330.272 2.588 40 5 EFBBLN CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[nH]1 ZINC000216904823 241219197 /nfs/dbraw/zinc/21/91/97/241219197.db2.gz HGNOZVKFCATIJZ-UHFFFAOYSA-N 0 2 344.299 2.978 40 5 EFBBLN CCCn1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000006325146 471541015 /nfs/dbraw/zinc/54/10/15/471541015.db2.gz KFUOJOIYAFXRBI-BQYQJAHWSA-N 0 2 340.339 2.507 40 5 EFBBLN O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 ZINC000015260317 471894877 /nfs/dbraw/zinc/89/48/77/471894877.db2.gz FTGIMLPHRYZXDJ-WQLSENKSSA-N 0 2 347.396 2.691 40 5 EFBBLN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000034930355 471993339 /nfs/dbraw/zinc/99/33/39/471993339.db2.gz WDNJZOJDKJYYER-UHFFFAOYSA-N 0 2 331.353 2.736 40 5 EFBBLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194665911 473935254 /nfs/dbraw/zinc/93/52/54/473935254.db2.gz WSJWXRZFQSSBMD-JTQLQIEISA-N 0 2 336.373 2.563 40 5 EFBBLN Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])c2)no1 ZINC000225557422 474224412 /nfs/dbraw/zinc/22/44/12/474224412.db2.gz TXBFQLDTORWZTG-UHFFFAOYSA-N 0 2 340.295 2.911 40 5 EFBBLN O=C(NCc1ccc(OC(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000252492484 474676766 /nfs/dbraw/zinc/67/67/66/474676766.db2.gz MNNXBNMYFCJSMD-UHFFFAOYSA-N 0 2 338.266 2.832 40 5 EFBBLN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1 ZINC000078406596 217048493 /nfs/dbraw/zinc/04/84/93/217048493.db2.gz AEDAANLWLDINOO-UHFFFAOYSA-N 0 2 348.262 2.670 40 5 EFBBLN