smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(=O)[O-])ccc2c(=O)[n-]1 ZINC000019413742 957109842 /nfs/dbraw/zinc/10/98/42/957109842.db2.gz OEXUHPCKPOTNHJ-UHFFFAOYSA-N -2 1 325.280 2.505 20 5 EFBDML CSc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599819964 988495294 /nfs/dbraw/zinc/49/52/94/988495294.db2.gz KXXGVILTLQMPKM-UHFFFAOYSA-N -2 1 348.336 2.973 20 5 EFBDML C[C@H](C(=O)[O-])[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192121 1096469673 /nfs/dbraw/zinc/46/96/73/1096469673.db2.gz YXZGVYUKKQBJQK-MEDUHNTESA-N -2 1 330.340 2.852 20 5 EFBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000158909911 293588319 /nfs/dbraw/zinc/58/83/19/293588319.db2.gz NJZAKRZHDAPSHI-UHFFFAOYSA-N -2 1 344.295 2.688 20 5 EFBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000156904291 472765626 /nfs/dbraw/zinc/76/56/26/472765626.db2.gz MWSSBXRXTDJDIJ-UHFFFAOYSA-N -2 1 347.352 2.891 20 5 EFBDML Cc1cc([N-]c2nccc(C(=O)[O-])c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC001600284621 1094944628 /nfs/dbraw/zinc/94/46/28/1094944628.db2.gz GETZTMPKZLGTAC-SECBINFHSA-N -2 1 331.332 2.908 20 5 EFBDML Cc1ccc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001607756256 1097721014 /nfs/dbraw/zinc/72/10/14/1097721014.db2.gz HMVGQAHWFHCELM-MRXNPFEDSA-N -2 1 330.340 2.833 20 5 EFBDML Cc1ccc([C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001607756254 1097721383 /nfs/dbraw/zinc/72/13/83/1097721383.db2.gz HMVGQAHWFHCELM-INIZCTEOSA-N -2 1 330.340 2.833 20 5 EFBDML Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(CCC(=O)[O-])ccc1[O-] ZINC001607864163 1097757842 /nfs/dbraw/zinc/75/78/42/1097757842.db2.gz KNUJWDUKHKMUBS-UHFFFAOYSA-N -2 1 344.323 2.878 20 5 EFBDML O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(Cl)c1F ZINC001608500255 1097932602 /nfs/dbraw/zinc/93/26/02/1097932602.db2.gz FNIJGNDMQCZCOM-UHFFFAOYSA-N -2 1 327.655 2.666 20 5 EFBDML Cn1ccc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000172515418 310761150 /nfs/dbraw/zinc/76/11/50/310761150.db2.gz LRVYWXBSECVVBO-UHFFFAOYSA-N -2 1 347.352 2.593 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436767042 477585058 /nfs/dbraw/zinc/58/50/58/477585058.db2.gz BFQSIODQTLFGMA-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1noc(-c2cccc(F)c2)n1 ZINC000611294721 479340096 /nfs/dbraw/zinc/34/00/96/479340096.db2.gz DLNYBDWPDIWAKT-UHFFFAOYSA-N -2 1 344.258 2.742 20 5 EFBDML O=C([O-])c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1[N+](=O)[O-] ZINC001174503353 1287042314 /nfs/dbraw/zinc/04/23/14/1287042314.db2.gz LNZZPRZQQRJLSY-UHFFFAOYSA-N -2 1 342.263 2.849 20 5 EFBDML O=C([O-])c1cc(Nc2cc3ccc([O-])cc3oc2=O)cc([N+](=O)[O-])c1 ZINC001176672273 1288065309 /nfs/dbraw/zinc/06/53/09/1288065309.db2.gz HZEMUXOJTVPMQN-UHFFFAOYSA-N -2 1 342.263 2.849 20 5 EFBDML O=C([O-])CCc1ccc([O-])c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001602041384 1096033100 /nfs/dbraw/zinc/03/31/00/1096033100.db2.gz HBKQRBMBOBNCEC-UHFFFAOYSA-N -2 1 348.286 2.709 20 5 EFBDML O=C([O-])c1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001602248043 1096137075 /nfs/dbraw/zinc/13/70/75/1096137075.db2.gz VDEAXSPTMAVIKL-UHFFFAOYSA-N -2 1 338.222 2.529 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356329437 147213967 /nfs/dbraw/zinc/21/39/67/147213967.db2.gz AXYPGFVDVRNFDW-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436170005 477432284 /nfs/dbraw/zinc/43/22/84/477432284.db2.gz AGVLNWOMWQBCTF-UHFFFAOYSA-N -2 1 347.352 2.891 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1[O-] ZINC000078677335 527339332 /nfs/dbraw/zinc/33/93/32/527339332.db2.gz RDEKTSZIAAPMSU-UHFFFAOYSA-N -2 1 333.325 2.583 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)ccc1[O-] ZINC000150752869 473347383 /nfs/dbraw/zinc/34/73/83/473347383.db2.gz HDLSNJLTSRWMNI-UHFFFAOYSA-N -2 1 346.723 2.894 20 5 EFBDML Cc1cc(F)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000175112523 474144327 /nfs/dbraw/zinc/14/43/27/474144327.db2.gz LOULMXLQZMKNNK-UHFFFAOYSA-N -2 1 326.305 2.549 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1[O-] ZINC000338876780 474695239 /nfs/dbraw/zinc/69/52/39/474695239.db2.gz MOCULXWKGVZIJF-UHFFFAOYSA-N -2 1 333.325 2.583 20 5 EFBDML Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000120787560 525812907 /nfs/dbraw/zinc/81/29/07/525812907.db2.gz DGNJFQGVPHIZEZ-UHFFFAOYSA-N -2 1 326.305 2.549 20 5 EFBDML CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001591771764 975899771 /nfs/dbraw/zinc/89/97/71/975899771.db2.gz FPFWYTCKVNIBIN-UHFFFAOYSA-N -2 1 333.300 2.661 20 5 EFBDML O=C([O-])c1cc([N-]S(=O)(=O)CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000548527533 318117796 /nfs/dbraw/zinc/11/77/96/318117796.db2.gz MFBWFHFLRVUCAB-UHFFFAOYSA-N -2 1 342.373 2.615 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000024100938 472046669 /nfs/dbraw/zinc/04/66/69/472046669.db2.gz ZSIRYJACYBFXAR-UHFFFAOYSA-N -2 1 328.733 2.755 20 5 EFBDML CC[C@@](NCc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298974 980423128 /nfs/dbraw/zinc/42/31/28/980423128.db2.gz GAXRQNPZFCJTQJ-KRWDZBQOSA-N -2 1 330.340 2.780 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351357557 146122611 /nfs/dbraw/zinc/12/26/11/146122611.db2.gz XJEWZGFYBZEOGR-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML Cc1cscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000157390177 472815241 /nfs/dbraw/zinc/81/52/41/472815241.db2.gz MYBLAZJOZQNXKM-UHFFFAOYSA-N -2 1 328.371 2.780 20 5 EFBDML CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c([N+](=O)[O-])c2)[n-]c1=O ZINC000436817574 477598600 /nfs/dbraw/zinc/59/86/00/477598600.db2.gz RXWQZNFWTCGZSF-TWGQIWQCSA-N -2 1 345.311 2.533 20 5 EFBDML Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000021363376 212222243 /nfs/dbraw/zinc/22/22/43/212222243.db2.gz YAMSIVJYVFLOFJ-UHFFFAOYSA-N -2 1 326.305 2.549 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1[O-] ZINC000442841190 250129835 /nfs/dbraw/zinc/12/98/35/250129835.db2.gz FZMAJDGCSFVRTI-UHFFFAOYSA-N -2 1 334.309 2.847 20 5 EFBDML CSc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024101166 472046909 /nfs/dbraw/zinc/04/69/09/472046909.db2.gz LDRDWEWUEOOELK-UHFFFAOYSA-N -2 1 340.382 2.823 20 5 EFBDML COC[C@H](C)Oc1cc2c(=O)c3c(OC)cc([O-])cc3oc2cc1O ZINC001234799740 1313193114 /nfs/dbraw/zinc/19/31/14/1313193114.db2.gz UGBKQQAYTPKVJO-VIFPVBQESA-N -2 1 346.335 2.780 20 5 EFBDML COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)C(C)=O)cc3c(=O)c12 ZINC001234800683 1313193387 /nfs/dbraw/zinc/19/33/87/1313193387.db2.gz KJALEJJNUZTJNI-SECBINFHSA-N -2 1 344.319 2.722 20 5 EFBDML O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(F)c1Cl ZINC001601591478 1095749149 /nfs/dbraw/zinc/74/91/49/1095749149.db2.gz KLSXWLSIZABMOV-UHFFFAOYSA-N -2 1 327.655 2.666 20 5 EFBDML C[C@@H](C(=O)[O-])[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192119 1096470227 /nfs/dbraw/zinc/47/02/27/1096470227.db2.gz YXZGVYUKKQBJQK-BDJLRTHQSA-N -2 1 330.340 2.852 20 5 EFBDML COc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c([O-])c1 ZINC000436862493 477617403 /nfs/dbraw/zinc/61/74/03/477617403.db2.gz OFAQJBZLOUDYKN-UHFFFAOYSA-N -2 1 338.703 2.920 20 5 EFBDML COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)C(C)=O)cc3c(=O)c12 ZINC001234800684 1313193247 /nfs/dbraw/zinc/19/32/47/1313193247.db2.gz KJALEJJNUZTJNI-VIFPVBQESA-N -2 1 344.319 2.722 20 5 EFBDML C[C@H](C(=O)[O-])[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192122 1096469711 /nfs/dbraw/zinc/46/97/11/1096469711.db2.gz YXZGVYUKKQBJQK-ZBEGNZNMSA-N -2 1 330.340 2.852 20 5 EFBDML C[C@@H](C(=O)[O-])[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192120 1096470154 /nfs/dbraw/zinc/47/01/54/1096470154.db2.gz YXZGVYUKKQBJQK-BZNIZROVSA-N -2 1 330.340 2.852 20 5 EFBDML Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000352243624 476581426 /nfs/dbraw/zinc/58/14/26/476581426.db2.gz FRLZARDHVFCNOW-UHFFFAOYSA-N -2 1 347.331 2.563 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436605553 477531284 /nfs/dbraw/zinc/53/12/84/477531284.db2.gz OZFIBLPBSBZPHQ-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c([N+](=O)[O-])c2)[n-]c1=O ZINC000436817572 477599537 /nfs/dbraw/zinc/59/95/37/477599537.db2.gz RXWQZNFWTCGZSF-RMKNXTFCSA-N -2 1 345.311 2.533 20 5 EFBDML CCc1oc(C(=O)[O-])cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000833680629 605637341 /nfs/dbraw/zinc/63/73/41/605637341.db2.gz LLCBNAKXAADUMU-UHFFFAOYSA-N -2 1 335.268 2.511 20 5 EFBDML O=C([O-])c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000738674070 978586102 /nfs/dbraw/zinc/58/61/02/978586102.db2.gz XRSAGVDXNUSQKO-UHFFFAOYSA-N -2 1 336.687 2.904 20 5 EFBDML Cc1cc(C(=O)[O-])c([N+](=O)[O-])c([N-]c2ccn(CCC(C)C)n2)n1 ZINC001600106713 1094775457 /nfs/dbraw/zinc/77/54/57/1094775457.db2.gz RXLSGYARUKFNIR-UHFFFAOYSA-N -2 1 333.348 2.983 20 5 EFBDML Cc1cc([N-]c2nc(C(=O)[O-])ccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC001600285182 1094943742 /nfs/dbraw/zinc/94/37/42/1094943742.db2.gz XFFVIFNWKFUZKJ-VIFPVBQESA-N -2 1 331.332 2.908 20 5 EFBDML Cc1cc([N-]c2nc(C(=O)[O-])ccc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC001600285180 1094944695 /nfs/dbraw/zinc/94/46/95/1094944695.db2.gz XFFVIFNWKFUZKJ-SECBINFHSA-N -2 1 331.332 2.908 20 5 EFBDML Cc1cccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2[O-])c1[N+](=O)[O-] ZINC001600512485 1095124659 /nfs/dbraw/zinc/12/46/59/1095124659.db2.gz SACCPGYBILWATQ-UHFFFAOYSA-N -2 1 344.323 2.878 20 5 EFBDML Cc1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167934506 1097337414 /nfs/dbraw/zinc/33/74/14/1097337414.db2.gz JOIVJBMVEOBSQC-UHFFFAOYSA-N -2 1 348.295 2.988 20 5 EFBDML Cc1cc([C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001610445740 1098681929 /nfs/dbraw/zinc/68/19/29/1098681929.db2.gz JQAJIURTGDTESV-QMMMGPOBSA-N -2 1 335.268 2.818 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000102195841 472567348 /nfs/dbraw/zinc/56/73/48/472567348.db2.gz WFJFOWOQJJPQHP-UHFFFAOYSA-N -2 1 348.258 2.519 20 5 EFBDML Cc1cc(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000157371804 472813956 /nfs/dbraw/zinc/81/39/56/472813956.db2.gz DOYMDGHKRIFJOE-UHFFFAOYSA-N -2 1 340.332 2.857 20 5 EFBDML Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c1 ZINC000609665678 480194495 /nfs/dbraw/zinc/19/44/95/480194495.db2.gz IYASBKKOEWCKLK-UHFFFAOYSA-N -2 1 343.368 2.732 20 5 EFBDML Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1[O-] ZINC000770855499 581142028 /nfs/dbraw/zinc/14/20/28/581142028.db2.gz DYWTYKGHSJMWSI-UHFFFAOYSA-N -2 1 331.206 2.868 20 5 EFBDML O=C([O-])c1cc(C(=O)Nc2ccc([O-])c(F)c2F)cc([N+](=O)[O-])c1 ZINC001602247977 1096136996 /nfs/dbraw/zinc/13/69/96/1096136996.db2.gz QWINDVPELWAJHF-UHFFFAOYSA-N -2 1 338.222 2.529 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339131035 474959388 /nfs/dbraw/zinc/95/93/88/474959388.db2.gz BKAHTLXYDGVVIP-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1noc(-c2ccccc2)n1 ZINC000433380788 477322472 /nfs/dbraw/zinc/32/24/72/477322472.db2.gz FNNQHZLHKOEWBG-UHFFFAOYSA-N -2 1 326.268 2.603 20 5 EFBDML COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CCOC4)cc3c(=O)c12 ZINC001234798666 1313193361 /nfs/dbraw/zinc/19/33/61/1313193361.db2.gz IZRAARZVWIADGX-SNVBAGLBSA-N -2 1 344.319 2.534 20 5 EFBDML O=C([O-])CCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001602031435 1096027049 /nfs/dbraw/zinc/02/70/49/1096027049.db2.gz HURHHEVMOPPWOB-UHFFFAOYSA-N -2 1 335.341 2.742 20 5 EFBDML Cc1cc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001610445739 1098682332 /nfs/dbraw/zinc/68/23/32/1098682332.db2.gz JQAJIURTGDTESV-MRVPVSSYSA-N -2 1 335.268 2.818 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccncc32)ccc1[O-] ZINC000325441917 311243004 /nfs/dbraw/zinc/24/30/04/311243004.db2.gz CUFJIDQOLDBIOB-UHFFFAOYSA-N -2 1 345.336 2.649 20 5 EFBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000547822413 318045761 /nfs/dbraw/zinc/04/57/61/318045761.db2.gz WUAACLQUINCUMB-UHFFFAOYSA-N -2 1 347.352 2.891 20 5 EFBDML Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000158905060 472979239 /nfs/dbraw/zinc/97/92/39/472979239.db2.gz PYKTYLIGOFVSCE-UHFFFAOYSA-N -2 1 326.305 2.549 20 5 EFBDML Cc1ccc(-c2cc(=NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000428039334 477809630 /nfs/dbraw/zinc/80/96/30/477809630.db2.gz RFJKZUFFFOHBAE-UHFFFAOYSA-N -2 1 344.352 2.735 20 5 EFBDML O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2[nH][n-]c(=O)c2c1 ZINC000590446709 479648979 /nfs/dbraw/zinc/64/89/79/479648979.db2.gz YGHAHBSBADFNBH-UHFFFAOYSA-N -2 1 348.702 2.788 20 5 EFBDML Cc1cc([N-]c2nccc(C(=O)[O-])c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC001600284622 1094943374 /nfs/dbraw/zinc/94/33/74/1094943374.db2.gz GETZTMPKZLGTAC-VIFPVBQESA-N -2 1 331.332 2.908 20 5 EFBDML O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340556482 141813651 /nfs/dbraw/zinc/81/36/51/141813651.db2.gz ZVEICTSOCPCGPY-UHFFFAOYSA-N -2 1 349.759 2.769 20 5 EFBDML O=C(N=c1[n-]nc(-c2ccccc2Cl)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352016479 146264575 /nfs/dbraw/zinc/26/45/75/146264575.db2.gz XNCIYSYVGUZOSN-UHFFFAOYSA-N -2 1 349.759 2.769 20 5 EFBDML O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccccn2)no1 ZINC000356295484 147203673 /nfs/dbraw/zinc/20/36/73/147203673.db2.gz PWMPNJMEZKRXNB-UHFFFAOYSA-N -2 1 326.268 2.603 20 5 EFBDML CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c([O-])c2)[n-]c1=O ZINC000516227453 315664207 /nfs/dbraw/zinc/66/42/07/315664207.db2.gz TZFNFWIBGZZMSU-TWGQIWQCSA-N -2 1 345.311 2.533 20 5 EFBDML O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000077711451 472591296 /nfs/dbraw/zinc/59/12/96/472591296.db2.gz NUSUZRXUOQSZFA-UHFFFAOYSA-N -2 1 346.723 2.894 20 5 EFBDML Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000608876903 480102118 /nfs/dbraw/zinc/10/21/18/480102118.db2.gz BBQVXNPXJZYMAH-UHFFFAOYSA-N -2 1 347.352 2.593 20 5 EFBDML O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212892914 1290629775 /nfs/dbraw/zinc/62/97/75/1290629775.db2.gz BSALFROJUAKTKE-UHFFFAOYSA-N -2 1 346.353 2.933 20 5 EFBDML O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001574693614 962660671 /nfs/dbraw/zinc/66/06/71/962660671.db2.gz OPPCYWGLHJTQID-LLVKDONJSA-N -2 1 343.339 2.607 20 5 EFBDML O=C([O-])CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000739753997 978653486 /nfs/dbraw/zinc/65/34/86/978653486.db2.gz WNTGJMLFLNNLOX-UHFFFAOYSA-N -2 1 349.368 2.883 20 5 EFBDML CC[C@](NCc1cc([O-])ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298976 980423204 /nfs/dbraw/zinc/42/32/04/980423204.db2.gz GAXRQNPZFCJTQJ-QGZVFWFLSA-N -2 1 330.340 2.780 20 5 EFBDML Cc1cccc([N+](=O)[O-])c1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167935819 1097348863 /nfs/dbraw/zinc/34/88/63/1097348863.db2.gz CUDMNDBYKFTFJC-UHFFFAOYSA-N -2 1 348.295 2.988 20 5 EFBDML Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CCC(=O)[O-])ccc2[O-])c1 ZINC001607824862 1097744109 /nfs/dbraw/zinc/74/41/09/1097744109.db2.gz GGYKYOBLEXKCRB-UHFFFAOYSA-N -2 1 344.323 2.878 20 5 EFBDML Cc1cc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000031721914 472390771 /nfs/dbraw/zinc/39/07/71/472390771.db2.gz SXCUHZWITBONPV-UHFFFAOYSA-N -2 1 347.352 2.891 20 5 EFBDML O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001574693615 962660888 /nfs/dbraw/zinc/66/08/88/962660888.db2.gz OPPCYWGLHJTQID-NSHDSACASA-N -2 1 343.339 2.607 20 5 EFBDML CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(=O)[O-])c1 ZINC001591788149 975969247 /nfs/dbraw/zinc/96/92/47/975969247.db2.gz OUEYYOQHOOCARS-UHFFFAOYSA-N -2 1 333.300 2.661 20 5 EFBDML O=C([O-])CCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001608722452 1098000929 /nfs/dbraw/zinc/00/09/29/1098000929.db2.gz GNGRECJQFFPIOC-UHFFFAOYSA-N -2 1 330.340 2.777 20 5 EFBDML O=C([O-])c1ccc2c(c1)CCCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001608919999 1098072402 /nfs/dbraw/zinc/07/24/02/1098072402.db2.gz JIMWFOYXFMJACI-UHFFFAOYSA-N -2 1 329.312 2.604 20 5 EFBDML CC(C)Oc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1C(=O)[O-] ZINC001609711983 1098434782 /nfs/dbraw/zinc/43/47/82/1098434782.db2.gz LPGRIJNLORIBTK-UHFFFAOYSA-N -2 1 333.300 2.661 20 5 EFBDML O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436604180 477531411 /nfs/dbraw/zinc/53/14/11/477531411.db2.gz NBVURJAQBVBMNE-UHFFFAOYSA-N -2 1 340.295 2.648 20 5 EFBDML CCc1nc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC001605857043 1097254617 /nfs/dbraw/zinc/25/46/17/1097254617.db2.gz BCDAAYKXGMEQDB-UHFFFAOYSA-N -2 1 349.368 2.952 20 5 EFBDML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000158907750 293588432 /nfs/dbraw/zinc/58/84/32/293588432.db2.gz VBSDQLDYCHVTKI-UHFFFAOYSA-N -2 1 340.332 2.857 20 5 EFBDML Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c(C)c1 ZINC000520445970 315957955 /nfs/dbraw/zinc/95/79/55/315957955.db2.gz HMIUISMKFZZCJH-UHFFFAOYSA-N -2 1 343.368 2.732 20 5 EFBDML Cc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000832909299 604619647 /nfs/dbraw/zinc/61/96/47/604619647.db2.gz YRCNTLOIARBPSI-UHFFFAOYSA-N -2 1 325.280 2.917 20 5 EFBDML