smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000000233185 169581898 /nfs/dbraw/zinc/58/18/98/169581898.db2.gz YPYVWYFTYCWRKJ-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM O=C([O-])c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000003913776 169925210 /nfs/dbraw/zinc/92/52/10/169925210.db2.gz SRHYBNXVJLWXTE-UHFFFAOYSA-N -1 0 290.319 3.595 50 5 CHBARM Cc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000004139547 169937660 /nfs/dbraw/zinc/93/76/60/169937660.db2.gz FQSRPKMRCHWNHH-UHFFFAOYSA-N -1 0 286.287 3.653 50 5 CHBARM O=[N+]([O-])c1ccccc1[N-]c1nc(-c2ccccn2)cs1 ZINC000005065266 170063133 /nfs/dbraw/zinc/06/31/33/170063133.db2.gz LATFHWBNXVCGCA-UHFFFAOYSA-N -1 0 298.327 3.857 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000037486460 173229159 /nfs/dbraw/zinc/22/91/59/173229159.db2.gz OXGCZWKCEIMROU-UHFFFAOYSA-N -1 0 281.333 3.718 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000000108023 567911255 /nfs/dbraw/zinc/91/12/55/567911255.db2.gz PBQGICMIRXZYKM-UHFFFAOYSA-N -1 0 281.314 3.506 50 5 CHBARM O=C([O-])/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000000160518 169558266 /nfs/dbraw/zinc/55/82/66/169558266.db2.gz WQADAPOGGCODCY-ZZXKWVIFSA-N -1 0 293.662 3.606 50 5 CHBARM O=[N+]([O-])c1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000004777807 170015692 /nfs/dbraw/zinc/01/56/92/170015692.db2.gz NJTASTNGXOTNOF-UHFFFAOYSA-N -1 0 272.285 3.577 50 5 CHBARM O=C([O-])c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000003913789 566845597 /nfs/dbraw/zinc/84/55/97/566845597.db2.gz QILUVXNLFGVPTD-UHFFFAOYSA-N -1 0 292.678 3.690 50 5 CHBARM Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000003290407 567167840 /nfs/dbraw/zinc/16/78/40/567167840.db2.gz IOGPWPIPIPXYDP-UHFFFAOYSA-N -1 0 289.312 3.753 50 5 CHBARM Cc1oc2c(cc([O-])c(Cl)c2Cl)c1[N+](=O)[O-] ZINC000001421034 169703893 /nfs/dbraw/zinc/70/38/93/169703893.db2.gz FSULXSPGHVQFOD-UHFFFAOYSA-N -1 0 262.048 3.662 50 5 CHBARM O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000008188151 170323434 /nfs/dbraw/zinc/32/34/34/170323434.db2.gz TUEZYRDUXIZDJD-UHFFFAOYSA-N -1 0 292.335 3.599 50 5 CHBARM O=[N+]([O-])c1cc(/C=C/c2nc3ccccc3o2)ccc1[O-] ZINC000057457384 567158344 /nfs/dbraw/zinc/15/83/44/567158344.db2.gz DAPWHIUSFHZTMY-SOFGYWHQSA-N -1 0 282.255 3.612 50 5 CHBARM Cc1ccccc1/C(=C/c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000004566989 567870689 /nfs/dbraw/zinc/87/06/89/567870689.db2.gz MLSKTVMSALZUQQ-UVTDQMKNSA-N -1 0 283.283 3.528 50 5 CHBARM Cc1ccc2c(c1)[N-]c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000018195814 170747544 /nfs/dbraw/zinc/74/75/44/170747544.db2.gz MDRUVKQDSNPFBG-UHFFFAOYSA-N -1 0 287.231 3.661 50 5 CHBARM O=C([O-])c1cc(-c2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000077031523 177155915 /nfs/dbraw/zinc/15/59/15/177155915.db2.gz HSAOKQBFTYPNDF-UHFFFAOYSA-N -1 0 295.653 3.753 50 5 CHBARM Cc1cc2c([nH]c(C(=O)[O-])c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000032918922 326898351 /nfs/dbraw/zinc/89/83/51/326898351.db2.gz UJOCFCLGWORLMU-UHFFFAOYSA-N -1 0 296.282 3.750 50 5 CHBARM Cc1ccc2nc3c4ccc(O)cc4oc3c(C(=O)[O-])c2c1 ZINC000019793775 567121921 /nfs/dbraw/zinc/12/19/21/567121921.db2.gz PZQFMSXVDDORNO-UHFFFAOYSA-N -1 0 293.278 3.846 50 5 CHBARM O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1[O-] ZINC000020256427 171111158 /nfs/dbraw/zinc/11/11/58/171111158.db2.gz DPVIOSXCEWUDET-UHFFFAOYSA-N -1 0 273.332 3.768 50 5 CHBARM O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl ZINC000085476867 179079871 /nfs/dbraw/zinc/07/98/71/179079871.db2.gz UZTSMTNERDSDHS-UHFFFAOYSA-N -1 0 277.663 3.613 50 5 CHBARM Cc1ccccc1/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000001746882 566956951 /nfs/dbraw/zinc/95/69/51/566956951.db2.gz UFLVGXRNGJVBOD-GDNBJRDFSA-N -1 0 283.283 3.528 50 5 CHBARM O=C([O-])c1cc2c(ccc3ccccc32)nc1Cl ZINC000390834922 567126179 /nfs/dbraw/zinc/12/61/79/567126179.db2.gz RTPOEGNAFMJHCF-UHFFFAOYSA-N -1 0 257.676 3.740 50 5 CHBARM O=C([O-])c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000019845394 567123438 /nfs/dbraw/zinc/12/34/38/567123438.db2.gz MVMJKMPQPHNZEF-UHFFFAOYSA-N -1 0 289.312 3.585 50 5 CHBARM O=C([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003326594 567167698 /nfs/dbraw/zinc/16/76/98/567167698.db2.gz JFUDQCDZOOLCLJ-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000002383719 570392602 /nfs/dbraw/zinc/39/26/02/570392602.db2.gz PLSLMNLMCJRXHN-UHFFFAOYSA-N -1 0 294.266 3.508 50 5 CHBARM Cc1cc(-c2ccc(/C=C/C(=O)[O-])o2)c([N+](=O)[O-])cc1C ZINC000070461253 570404189 /nfs/dbraw/zinc/40/41/89/570404189.db2.gz BQWYHTOPMRPMQC-GQCTYLIASA-N -1 0 287.271 3.569 50 5 CHBARM O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1[O-] ZINC000033903531 567931298 /nfs/dbraw/zinc/93/12/98/567931298.db2.gz LXSUPDDEYFDPFW-UHFFFAOYSA-N -1 0 272.285 3.577 50 5 CHBARM CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000074941181 1125713531 /nfs/dbraw/zinc/71/35/31/1125713531.db2.gz QVQOEGINDWEFLO-UHFFFAOYSA-N -1 0 279.336 3.888 50 5 CHBARM CCc1ccccc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000005158523 170072299 /nfs/dbraw/zinc/07/22/99/170072299.db2.gz WPDYCRNXKFGAJP-UHFFFAOYSA-N -1 0 286.287 3.599 50 5 CHBARM O=C([O-])c1cnc2c3ccccc3ccc2c1Cl ZINC000005010779 170055244 /nfs/dbraw/zinc/05/52/44/170055244.db2.gz NDMXXEOZWWSPGX-UHFFFAOYSA-N -1 0 257.676 3.740 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccs2)s1 ZINC000006192241 170182062 /nfs/dbraw/zinc/18/20/62/170182062.db2.gz OUQCVCNWIIVYRJ-ARJAWSKDSA-N -1 0 281.314 3.586 50 5 CHBARM O=C([O-])c1cc2cc3c(cc2[nH]1)oc1ccccc13 ZINC000004027418 184529259 /nfs/dbraw/zinc/52/92/59/184529259.db2.gz PXROSWSGJXFPIU-UHFFFAOYSA-N -1 0 251.241 3.766 50 5 biogenic CHBARM O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000003156701 169861985 /nfs/dbraw/zinc/86/19/85/169861985.db2.gz YFUKKDHQNQQUJI-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM O=C([O-])c1ccccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000005344650 170088423 /nfs/dbraw/zinc/08/84/23/170088423.db2.gz RMGZARJADKQMMZ-UHFFFAOYSA-N -1 0 289.312 3.585 50 5 CHBARM O=C([O-])/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000001875433 566971165 /nfs/dbraw/zinc/97/11/65/566971165.db2.gz YSMUPSUGFXEWBE-ZZXKWVIFSA-N -1 0 293.662 3.606 50 5 CHBARM Cc1cccc2c1nc1c3ccc(O)cc3oc1c2C(=O)[O-] ZINC000019793815 170868738 /nfs/dbraw/zinc/86/87/38/170868738.db2.gz HGUDPQLBUWIUHQ-UHFFFAOYSA-N -1 0 293.278 3.846 50 5 CHBARM O=C([O-])c1ccc(F)c2cc3c(F)cccc3cc12 ZINC000071257120 176095823 /nfs/dbraw/zinc/09/58/23/176095823.db2.gz TWVLBYFTXRDBIO-UHFFFAOYSA-N -1 0 258.223 3.969 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccs2)s1 ZINC000002172930 570375115 /nfs/dbraw/zinc/37/51/15/570375115.db2.gz OUQCVCNWIIVYRJ-ONEGZZNKSA-N -1 0 281.314 3.586 50 5 CHBARM Cc1oc(-c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000005034207 170058647 /nfs/dbraw/zinc/05/86/47/170058647.db2.gz PNDOIOPVHSICMP-UHFFFAOYSA-N -1 0 281.651 3.515 50 5 CHBARM O=[N+]([O-])c1ccccc1[N-]c1nc(-c2ccncc2)cs1 ZINC000005064758 170063025 /nfs/dbraw/zinc/06/30/25/170063025.db2.gz PWTGCUQAHSEGAV-UHFFFAOYSA-N -1 0 298.327 3.857 50 5 CHBARM Cc1cc(C)cc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005158538 170072231 /nfs/dbraw/zinc/07/22/31/170072231.db2.gz ZKUZLWMYEVMDBA-UHFFFAOYSA-N -1 0 286.287 3.653 50 5 CHBARM Cc1coc2cc3o/c(=N/[O-])c4ccccc4c3cc12 ZINC000009531306 170380895 /nfs/dbraw/zinc/38/08/95/170380895.db2.gz JUIHCNVMHHIHIK-WUKNDPDISA-N -1 0 265.268 3.931 50 5 CHBARM O=C([O-])CSc1nc2ccccc2c2ccccc21 ZINC000016525562 170700724 /nfs/dbraw/zinc/70/07/24/170700724.db2.gz YTIDJQGIKHLWJB-UHFFFAOYSA-N -1 0 269.325 3.565 50 5 CHBARM Cc1ccc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000000092131 567908853 /nfs/dbraw/zinc/90/88/53/567908853.db2.gz XXUBZSQLPIRCFW-UHFFFAOYSA-N -1 0 289.312 3.753 50 5 CHBARM O=[N+]([O-])c1ccccc1[N-]c1nc(-c2cccnc2)cs1 ZINC000005065346 170062975 /nfs/dbraw/zinc/06/29/75/170062975.db2.gz JLESNICZRSLJKW-UHFFFAOYSA-N -1 0 298.327 3.857 50 5 CHBARM O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34 ZINC000002558008 567848021 /nfs/dbraw/zinc/84/80/21/567848021.db2.gz DLOBKMWCBFOUHP-UHFFFAOYSA-N -1 0 282.320 3.831 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000004342846 567863626 /nfs/dbraw/zinc/86/36/26/567863626.db2.gz SPYMAOCSDJMUJW-UHFFFAOYSA-N -1 0 283.239 3.569 50 5 CHBARM O=C([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000065350799 567897273 /nfs/dbraw/zinc/89/72/73/567897273.db2.gz BIDCLZCLMBUQHP-UHFFFAOYSA-N -1 0 277.663 3.613 50 5 CHBARM CC(C)Cc1c2cnn(C)c2nc2c3ccc(O)cc3oc21 ZINC000253412627 570385370 /nfs/dbraw/zinc/38/53/70/570385370.db2.gz RONQYDURHAOVNK-UHFFFAOYSA-N -1 0 295.342 3.772 50 5 biogenic CHBARM O=C([O-])c1ccc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000095704700 185018117 /nfs/dbraw/zinc/01/81/17/185018117.db2.gz ZYGCYTXTQPYRQE-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM [O-]c1c2nc3ccccc3n2c2ccccc2c1Cl ZINC000001314836 336119245 /nfs/dbraw/zinc/11/92/45/336119245.db2.gz LSYGWBTWODHSLF-UHFFFAOYSA-N -1 0 268.703 4.000 50 5 CHBARM O=C([O-])c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000118717 567922995 /nfs/dbraw/zinc/92/29/95/567922995.db2.gz BQTVDXUJNBTHPV-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM O=C([O-])c1cc2ccc3c4ccccc4[nH]c3c2cc1O ZINC000001689062 169742557 /nfs/dbraw/zinc/74/25/57/169742557.db2.gz ONMDNQFBIVCMAS-UHFFFAOYSA-N -1 0 277.279 3.878 50 5 CHBARM Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000008804321 170356740 /nfs/dbraw/zinc/35/67/40/170356740.db2.gz KKWUODVZVWIOFF-UHFFFAOYSA-N -1 0 281.651 3.515 50 5 CHBARM O=C([O-])c1cc2ccc3ccccc3c2nc1Cl ZINC000039868103 526358205 /nfs/dbraw/zinc/35/82/05/526358205.db2.gz GABKJQOAUVKSBH-UHFFFAOYSA-N -1 0 257.676 3.740 50 5 CHBARM O=Cc1cccc2ccc3cccc(C(=O)[O-])c3c12 ZINC000000330066 567825700 /nfs/dbraw/zinc/82/57/00/567825700.db2.gz WNGATLAAVNRKQO-UHFFFAOYSA-N -1 0 250.253 3.504 50 5 CHBARM CSc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000095495185 567917179 /nfs/dbraw/zinc/91/71/79/567917179.db2.gz CZCWYKIVZZCALR-UHFFFAOYSA-N -1 0 289.312 3.682 50 5 CHBARM O=C([O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000000233184 169581933 /nfs/dbraw/zinc/58/19/33/169581933.db2.gz ODSUSTCBUKQUTJ-UHFFFAOYSA-N -1 0 293.662 3.739 50 5 CHBARM O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000271452 169593672 /nfs/dbraw/zinc/59/36/72/169593672.db2.gz BQHXUFIDYNWENX-UHFFFAOYSA-N -1 0 294.266 3.508 50 5 CHBARM O=C([O-])c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004898817 170038192 /nfs/dbraw/zinc/03/81/92/170038192.db2.gz QBNAVGCTRZCBGQ-UHFFFAOYSA-N -1 0 281.333 3.718 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)s1 ZINC000033317436 171782825 /nfs/dbraw/zinc/78/28/25/171782825.db2.gz YKTAZQIYQUILDG-SREVYHEPSA-N -1 0 275.285 3.525 50 5 CHBARM CC(C)(C)c1cc([O-])c([N+](=O)[O-])c(C(C)(C)C)c1 ZINC000019801426 567121913 /nfs/dbraw/zinc/12/19/13/567121913.db2.gz BXZHVNRCHYCYFC-UHFFFAOYSA-N -1 0 251.326 3.895 50 5 CHBARM Cc1ccc([N+](=O)[O-])c(C)c1Nc1ccccc1C(=O)[O-] ZINC000000133495 567923563 /nfs/dbraw/zinc/92/35/63/567923563.db2.gz USWJBGWJODUKDU-UHFFFAOYSA-N -1 0 286.287 3.653 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000062835550 567944392 /nfs/dbraw/zinc/94/43/92/567944392.db2.gz WHWTXTMAIPDXHW-UHFFFAOYSA-N -1 0 281.333 3.575 50 5 CHBARM Cc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000077031531 177155884 /nfs/dbraw/zinc/15/58/84/177155884.db2.gz RZGAQDGKJGIPPL-UHFFFAOYSA-N -1 0 291.690 3.922 50 5 CHBARM Cc1ccccc1Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000001058300 566837989 /nfs/dbraw/zinc/83/79/89/566837989.db2.gz HXAMNVUCVOWPRU-UHFFFAOYSA-N -1 0 289.312 3.753 50 5 CHBARM Cc1ccccc1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000005181816 170074113 /nfs/dbraw/zinc/07/41/13/170074113.db2.gz UFLVGXRNGJVBOD-XNTDXEJSSA-N -1 0 283.283 3.528 50 5 CHBARM Cc1ccccc1/C(=C\c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000019878658 567123645 /nfs/dbraw/zinc/12/36/45/567123645.db2.gz MLSKTVMSALZUQQ-GXDHUFHOSA-N -1 0 283.283 3.528 50 5 CHBARM O=C([O-])c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003277499 567164926 /nfs/dbraw/zinc/16/49/26/567164926.db2.gz MAUBNQUMSDCPPK-UHFFFAOYSA-N -1 0 293.275 3.583 50 5 CHBARM O=c1c2cc3ccccc3cc2[n-]c(=S)n1C1CC1 ZINC000000425067 230366036 /nfs/dbraw/zinc/36/60/36/230366036.db2.gz ZMUUKBDYWGVPLN-UHFFFAOYSA-N -1 0 268.341 3.547 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)s1 ZINC000002172940 570374999 /nfs/dbraw/zinc/37/49/99/570374999.db2.gz YKTAZQIYQUILDG-VOTSOKGWSA-N -1 0 275.285 3.525 50 5 CHBARM CCc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005158533 170072089 /nfs/dbraw/zinc/07/20/89/170072089.db2.gz DRGQIWRLCYUBOO-UHFFFAOYSA-N -1 0 286.287 3.599 50 5 CHBARM O=C([O-])c1c2oc3cc(O)ccc3c2nc2ccccc21 ZINC000004369183 567938145 /nfs/dbraw/zinc/93/81/45/567938145.db2.gz LGWDQMQGODEEQS-UHFFFAOYSA-N -1 0 279.251 3.538 50 5 CHBARM O=[N+]([O-])c1cccc(C=C([O-])c2nc3ccccc3s2)c1 ZINC000003326696 567170512 /nfs/dbraw/zinc/17/05/12/567170512.db2.gz HUEZYZAFCBTKJK-UHFFFAOYSA-N -1 0 298.323 3.630 50 5 CHBARM O=C([O-])c1sccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000003883180 169919804 /nfs/dbraw/zinc/91/98/04/169919804.db2.gz GXIYZTHOYHYVQA-UHFFFAOYSA-N -1 0 295.341 3.647 50 5 CHBARM Cc1cccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1C ZINC000005158528 170072333 /nfs/dbraw/zinc/07/23/33/170072333.db2.gz JFKNNDGFDGRDKD-UHFFFAOYSA-N -1 0 286.287 3.653 50 5 CHBARM Cc1cccc2c1nc1c(C)cccc1c2C(=O)[O-] ZINC000004087069 567855187 /nfs/dbraw/zinc/85/51/87/567855187.db2.gz LDRZBMBJYZPRFT-UHFFFAOYSA-N -1 0 251.285 3.703 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000019845416 566886032 /nfs/dbraw/zinc/88/60/32/566886032.db2.gz FTVSWMNMYHUQPE-UHFFFAOYSA-N -1 0 293.275 3.583 50 5 CHBARM O=C([O-])CCc1nc2ccccc2c2cc3ccccc3n21 ZINC000071772289 567902100 /nfs/dbraw/zinc/90/21/00/567902100.db2.gz OIGCSUDDXZEORM-UHFFFAOYSA-N -1 0 290.322 3.658 50 5 CHBARM O=[N+]([O-])c1cc(/C=C\c2nc3ccccc3o2)ccc1[O-] ZINC000097993374 230389101 /nfs/dbraw/zinc/38/91/01/230389101.db2.gz DAPWHIUSFHZTMY-VURMDHGXSA-N -1 0 282.255 3.612 50 5 CHBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000009428869 170376351 /nfs/dbraw/zinc/37/63/51/170376351.db2.gz WEEHNBNVAYPJQS-UHFFFAOYSA-N -1 0 293.275 3.583 50 5 CHBARM O=C(CCC1CCCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000020028307 567125659 /nfs/dbraw/zinc/12/56/59/567125659.db2.gz MRGCFCUFFBBWIP-UHFFFAOYSA-N -1 0 292.335 3.599 50 5 CHBARM