smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c(N)nc(N)c1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000005479328 204210420 /nfs/dbraw/zinc/21/04/20/204210420.db2.gz ZAIWXJILIHUSPC-UHFFFAOYSA-N 1 0 356.430 3.523 40 5 FHBBRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011752 204314995 /nfs/dbraw/zinc/31/49/95/204314995.db2.gz IAMGTQYXYYNQLS-ZHACJKMWSA-N 1 0 365.433 3.520 40 5 FHBBRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462134 204929088 /nfs/dbraw/zinc/92/90/88/204929088.db2.gz YAFLOYVNPRZBSK-MDZDMXLPSA-N 1 0 365.433 3.520 40 5 FHBBRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038859697 205045278 /nfs/dbraw/zinc/04/52/78/205045278.db2.gz MEIYDPUZSOVZIS-INIZCTEOSA-N 1 0 371.412 3.893 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC ZINC000245232327 523770342 /nfs/dbraw/zinc/77/03/42/523770342.db2.gz SGWSKHBQJXLTAT-SGXKBVARSA-N 1 0 362.490 3.660 40 5 FHBBRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12 ZINC000031852807 571056073 /nfs/dbraw/zinc/05/60/73/571056073.db2.gz CRFPZOQIRQYUOT-UHFFFAOYSA-N 1 0 367.453 3.853 40 5 FHBBRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555716 571346512 /nfs/dbraw/zinc/34/65/12/571346512.db2.gz CRXYARFXYSHJEL-FMIVXFBMSA-N 1 0 365.433 3.520 40 5 FHBBRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000039772529 571065472 /nfs/dbraw/zinc/06/54/72/571065472.db2.gz XFTODTFDVUEUFX-UHFFFAOYSA-N 1 0 353.422 3.754 40 5 FHBBRO COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1=C2C)OCO4 ZINC000001578258 204012903 /nfs/dbraw/zinc/01/29/03/204012903.db2.gz MPJGYMGKMSWAGP-UHFFFAOYSA-N 1 0 366.437 3.837 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000001593621 204013402 /nfs/dbraw/zinc/01/34/02/204013402.db2.gz QZJLOWJCRLBIFV-PWRODBHTSA-N 1 0 360.518 3.517 40 5 FHBBRO O=C(Oc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001688837 204017359 /nfs/dbraw/zinc/01/73/59/204017359.db2.gz ABGRKNZJVQRNOS-UHFFFAOYSA-N 1 0 354.406 3.842 40 5 FHBBRO CCc1[nH+]c(N)nc(N)c1-c1ccc(N(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000005479327 204211283 /nfs/dbraw/zinc/21/12/83/204211283.db2.gz BVMBUIJRKDAMFJ-UHFFFAOYSA-N 1 0 370.457 3.548 40 5 FHBBRO CC[n+]1cc(Br)cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 ZINC000226778183 206123712 /nfs/dbraw/zinc/12/37/12/206123712.db2.gz DMRTWXABEICQSZ-UHFFFAOYSA-N 1 0 363.191 3.781 40 5 FHBBRO COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)c1OC ZINC000004028585 206164139 /nfs/dbraw/zinc/16/41/39/206164139.db2.gz WVJHZWSGUPUPNC-LKCPXVLKSA-N 1 0 374.501 3.669 40 5 FHBBRO CC(C)c1ccc(CNc2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])cc1 ZINC000005522911 132828498 /nfs/dbraw/zinc/82/84/98/132828498.db2.gz GDXGNXHQFOAKPK-UHFFFAOYSA-N 1 0 354.454 3.740 40 5 FHBBRO COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000253614778 570626183 /nfs/dbraw/zinc/62/61/83/570626183.db2.gz BMQBFTBKHPYZFM-MBSDFSHPSA-N 1 0 370.469 3.521 40 5 FHBBRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013669474 571110314 /nfs/dbraw/zinc/11/03/14/571110314.db2.gz AZDPJVYTROXJOZ-ZDUSSCGKSA-N 1 0 353.850 3.633 40 5 FHBBRO C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCCC1 ZINC000000607754 203934995 /nfs/dbraw/zinc/93/49/95/203934995.db2.gz HDGFUOKLIQJQCS-UHFFFAOYSA-O 1 0 351.514 3.869 40 5 in-man FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593625 204013415 /nfs/dbraw/zinc/01/34/15/204013415.db2.gz VXGDRSHRVQGXKQ-RTWAWAEBSA-N 1 0 362.534 3.741 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCC(C)CC1 ZINC000001734043 204017913 /nfs/dbraw/zinc/01/79/13/204017913.db2.gz KPHCJIBEWRFEHP-AATLZSDMSA-N 1 0 362.534 3.741 40 5 FHBBRO CCCC[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005410221 204207761 /nfs/dbraw/zinc/20/77/61/204207761.db2.gz WVYOKMQKGHNQJA-OPSDPNGSSA-N 1 0 360.518 3.627 40 5 FHBBRO C[NH+](C)CC[C@H](CCc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005573052 204215607 /nfs/dbraw/zinc/21/56/07/204215607.db2.gz PLMQOWUVEMUNRM-IBGZPJMESA-N 1 0 356.422 3.705 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1OC ZINC000000819791 206134571 /nfs/dbraw/zinc/13/45/71/206134571.db2.gz SGWSKHBQJXLTAT-OATREDKOSA-N 1 0 362.490 3.660 40 5 FHBBRO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013151701 206300793 /nfs/dbraw/zinc/30/07/93/206300793.db2.gz IVZWWWWEWLNVOI-FVEFGIFQSA-N 1 0 369.377 3.730 40 5 FHBBRO Cc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000216930338 206360562 /nfs/dbraw/zinc/36/05/62/206360562.db2.gz RIQAHIPGEQBCHL-UHFFFAOYSA-N 1 0 369.421 3.629 40 5 FHBBRO CC[C@]12CCC[N@+]3(C)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000252460940 523632600 /nfs/dbraw/zinc/63/26/00/523632600.db2.gz JIHIFNDXLSTZHZ-GRSYGWAWSA-O 1 0 353.486 3.590 40 5 FHBBRO CC[N+](C)(CC)CCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000003039307 204075104 /nfs/dbraw/zinc/07/51/04/204075104.db2.gz ZKERPWIHUBHDAG-UHFFFAOYSA-N 1 0 368.526 3.964 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000005599490 204217643 /nfs/dbraw/zinc/21/76/43/204217643.db2.gz QZJLOWJCRLBIFV-ACRUOGEOSA-N 1 0 360.518 3.517 40 5 FHBBRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853916 205042318 /nfs/dbraw/zinc/04/23/18/205042318.db2.gz SHDLIUYNSVNRTJ-OAHLLOKOSA-N 1 0 357.385 3.585 40 5 FHBBRO CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O[C@H](C)C1 ZINC000036631454 205018843 /nfs/dbraw/zinc/01/88/43/205018843.db2.gz LDKVLLQBTHEEJS-KNKQGSTJSA-N 1 0 370.513 3.737 40 5 FHBBRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139940 570834683 /nfs/dbraw/zinc/83/46/83/570834683.db2.gz FIKNKMKIUPMEST-FMIVXFBMSA-N 1 0 365.433 3.520 40 5 FHBBRO CC1(C)CCC[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001648489 204016261 /nfs/dbraw/zinc/01/62/61/204016261.db2.gz ZXLPMDZRIQJSDP-UHFFFAOYSA-O 1 0 351.514 3.867 40 5 FHBBRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000068931778 205412762 /nfs/dbraw/zinc/41/27/62/205412762.db2.gz BWTDKPLWMFMJJE-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010369426 570700271 /nfs/dbraw/zinc/70/02/71/570700271.db2.gz RMXUQJZIJDQGJU-UHFFFAOYSA-N 1 0 369.421 3.842 40 5 FHBBRO C[N@H+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005719630 570839499 /nfs/dbraw/zinc/83/94/99/570839499.db2.gz VLXCOZKEXXHKRC-UHFFFAOYSA-N 1 0 358.438 3.652 40 5 FHBBRO CC[NH+](CC)C[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001672759 204016067 /nfs/dbraw/zinc/01/60/67/204016067.db2.gz VURAUJBZAYFIEV-IBGZPJMESA-N 1 0 356.422 3.705 40 5 FHBBRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038859695 205045233 /nfs/dbraw/zinc/04/52/33/205045233.db2.gz MEIYDPUZSOVZIS-MRXNPFEDSA-N 1 0 371.412 3.893 40 5 FHBBRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039754633 263399611 /nfs/dbraw/zinc/39/96/11/263399611.db2.gz IFOGIJNHAYQKFG-UHFFFAOYSA-N 1 0 357.385 3.585 40 5 FHBBRO CNC(=O)C(CCC[N+]1(C)CCCC1)(c1ccccc1)c1ccccc1 ZINC000001648491 204016470 /nfs/dbraw/zinc/01/64/70/204016470.db2.gz XRNZLIYANUUYEE-UHFFFAOYSA-O 1 0 351.514 3.739 40 5 FHBBRO C[N+]1(CCOC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CCCCC1 ZINC000004683781 204155728 /nfs/dbraw/zinc/15/57/28/204155728.db2.gz FMKABTOECRRBOR-JOCHJYFZSA-N 1 0 360.518 3.628 40 5 FHBBRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010543020 204398003 /nfs/dbraw/zinc/39/80/03/204398003.db2.gz VUOXASCNJGERJN-CQSZACIVSA-N 1 0 353.850 3.633 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC ZINC000245232326 523770620 /nfs/dbraw/zinc/77/06/20/523770620.db2.gz SGWSKHBQJXLTAT-CECAUBDESA-N 1 0 362.490 3.660 40 5 FHBBRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063619 571302731 /nfs/dbraw/zinc/30/27/31/571302731.db2.gz BUYBDEACGIFDRI-UHFFFAOYSA-N 1 0 371.412 3.893 40 5 FHBBRO CC(=O)Nc1ccc2nc3ccc(NC(C)=O)cc3[n+](-c3ccccc3)c2c1 ZINC000004769609 207046897 /nfs/dbraw/zinc/04/68/97/207046897.db2.gz SKHDAYWRTCMNJT-UHFFFAOYSA-O 1 0 371.420 3.582 40 5 FHBBRO CCOc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000006870546 263348049 /nfs/dbraw/zinc/34/80/49/263348049.db2.gz ORYWQZLIZJXJPE-UHFFFAOYSA-N 1 0 359.426 3.594 40 5 FHBBRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1cccc2[N+](=O)[O-] ZINC000001756822 571191603 /nfs/dbraw/zinc/19/16/03/571191603.db2.gz ROCZOYIOOPQBQZ-HNNXBMFYSA-N 1 0 357.454 3.988 40 5 FHBBRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000032463504 208028605 /nfs/dbraw/zinc/02/86/05/208028605.db2.gz CBVCZDDSMGQHHY-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853919 208209012 /nfs/dbraw/zinc/20/90/12/208209012.db2.gz SHDLIUYNSVNRTJ-HNNXBMFYSA-N 1 0 357.385 3.585 40 5 FHBBRO CC[C@]12CCC[N+]3(C)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000004000181 206799068 /nfs/dbraw/zinc/79/90/68/206799068.db2.gz JIHIFNDXLSTZHZ-DNLLRGJWSA-O 1 0 353.486 3.590 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000005599489 207107443 /nfs/dbraw/zinc/10/74/43/207107443.db2.gz QZJLOWJCRLBIFV-PCCBWWKXSA-N 1 0 360.518 3.517 40 5 FHBBRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429949 207233380 /nfs/dbraw/zinc/23/33/80/207233380.db2.gz IDBUHTKZTJNDGW-ZHACJKMWSA-N 1 0 365.433 3.520 40 5 FHBBRO CC[C@]12CCC[N+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000001321275 209388060 /nfs/dbraw/zinc/38/80/60/209388060.db2.gz BYDKBTXPTYHQQH-VMJHHUBKSA-O 1 0 367.513 3.980 40 5 FHBBRO COc1ccc2ccccc2c1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000007276168 263349718 /nfs/dbraw/zinc/34/97/18/263349718.db2.gz MRYRWPPVAYYSJI-UHFFFAOYSA-N 1 0 351.406 3.958 40 5 FHBBRO CC1(C)CCC[N+]1(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001843224 570508609 /nfs/dbraw/zinc/50/86/09/570508609.db2.gz JYEIMVCNUYZGKO-NQCNTLBGSA-N 1 0 360.518 3.627 40 5 FHBBRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000006297643 571170982 /nfs/dbraw/zinc/17/09/82/571170982.db2.gz IQUXLYSCGCONOL-UHFFFAOYSA-N 1 0 369.421 3.842 40 5 FHBBRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1cccc2[N+](=O)[O-] ZINC000006382009 571183024 /nfs/dbraw/zinc/18/30/24/571183024.db2.gz ROCZOYIOOPQBQZ-OAHLLOKOSA-N 1 0 357.454 3.988 40 5 FHBBRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000224643485 209790848 /nfs/dbraw/zinc/79/08/48/209790848.db2.gz JOGWXFBIKWCACT-UHFFFAOYSA-N 1 0 367.449 3.819 40 5 FHBBRO CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC000226070177 209366124 /nfs/dbraw/zinc/36/61/24/209366124.db2.gz DOMJCPLWEGVYHV-SFHVURJKSA-N 1 0 366.566 3.744 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1OC ZINC000004610446 570668903 /nfs/dbraw/zinc/66/89/03/570668903.db2.gz SGWSKHBQJXLTAT-XJKSGNHDSA-N 1 0 362.490 3.660 40 5 FHBBRO CC[N@+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O[C@@H](C)C1 ZINC000245229017 571137011 /nfs/dbraw/zinc/13/70/11/571137011.db2.gz LDKVLLQBTHEEJS-SMKKKYSBSA-N 1 0 370.513 3.737 40 5 FHBBRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017072873 571274894 /nfs/dbraw/zinc/27/48/94/571274894.db2.gz YOZXPKRKZMCORA-DHZHZOJOSA-N 1 0 351.406 3.843 40 5 FHBBRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000224757438 571279392 /nfs/dbraw/zinc/27/93/92/571279392.db2.gz XKOQPACJMDLSSL-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO O=c1c2ccccc2sc2c(CO)ccc(NCC[NH+]3CCCCC3)c12 ZINC000003954467 560191784 /nfs/dbraw/zinc/19/17/84/560191784.db2.gz WKUYEBVLTZDQDV-UHFFFAOYSA-N 1 0 368.502 3.805 40 5 in-vitro FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593624 570502446 /nfs/dbraw/zinc/50/24/46/570502446.db2.gz VXGDRSHRVQGXKQ-SFTDATJTSA-N 1 0 362.534 3.741 40 5 FHBBRO COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1C2 ZINC000253614779 570626037 /nfs/dbraw/zinc/62/60/37/570626037.db2.gz BMQBFTBKHPYZFM-WZONZLPQSA-N 1 0 370.469 3.521 40 5 FHBBRO CCC[n+]1cc(Br)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000226778023 209368833 /nfs/dbraw/zinc/36/88/33/209368833.db2.gz UNGKLYWZPNHUOQ-UHFFFAOYSA-N 1 0 363.191 3.863 40 5 FHBBRO C[N+]1(CCCn2c(=O)c3ccccc3n2-c2ccccc2)CCCCC1 ZINC000005535284 207104673 /nfs/dbraw/zinc/10/46/73/207104673.db2.gz HAQCVPOQXKSJTR-UHFFFAOYSA-N 1 0 350.486 3.813 40 5 FHBBRO C[NH+](C)CC[C@@H](CCc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006437058 207141358 /nfs/dbraw/zinc/14/13/58/207141358.db2.gz PLMQOWUVEMUNRM-LJQANCHMSA-N 1 0 356.422 3.705 40 5 FHBBRO CCCCC[N+](C)(C)C[C@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@@H]13 ZINC000009329246 207266194 /nfs/dbraw/zinc/26/61/94/207266194.db2.gz IPNLZZRAUONHGJ-OJHYWNACSA-N 1 0 364.550 3.778 40 5 FHBBRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010543030 263366598 /nfs/dbraw/zinc/36/65/98/263366598.db2.gz DARRXLULWCQTOA-CYBMUJFWSA-N 1 0 353.850 3.633 40 5 FHBBRO COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3C[N+]1(C)CC2 ZINC000000640247 570442680 /nfs/dbraw/zinc/44/26/80/570442680.db2.gz NNAIRPYKTUWQMJ-FKSKYRLFSA-N 1 0 370.469 3.521 40 5 FHBBRO CCCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1 ZINC000005465274 219682828 /nfs/dbraw/zinc/68/28/28/219682828.db2.gz KZBSWVRFZXEYMR-NJPXDTCNSA-N 1 0 358.502 3.555 40 5 FHBBRO O=[N+]([O-])c1nccn1CCCCCCCCCCC[NH+]1CCOCC1 ZINC000095569384 209080441 /nfs/dbraw/zinc/08/04/41/209080441.db2.gz PMPOUNWOSJRUNV-UHFFFAOYSA-N 1 0 352.479 3.634 40 5 FHBBRO COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000253614776 570626102 /nfs/dbraw/zinc/62/61/02/570626102.db2.gz BMQBFTBKHPYZFM-FDDCHVKYSA-N 1 0 370.469 3.521 40 5 FHBBRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000224646570 571275931 /nfs/dbraw/zinc/27/59/31/571275931.db2.gz SOQSEXJZFCXLQC-UHFFFAOYSA-N 1 0 367.449 3.819 40 5 FHBBRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062830 571302423 /nfs/dbraw/zinc/30/24/23/571302423.db2.gz DPRWJJJTMRPZKY-UHFFFAOYSA-N 1 0 353.422 3.754 40 5 FHBBRO CC[N+]1(C)CC[C@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 ZINC000005854721 570637066 /nfs/dbraw/zinc/63/70/66/570637066.db2.gz YSWUASFXPBRSMW-GXBCDIMNSA-N 1 0 352.498 3.860 40 5 FHBBRO COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3C[N+]1(C)CC2 ZINC000000640249 210254161 /nfs/dbraw/zinc/25/41/61/210254161.db2.gz NNAIRPYKTUWQMJ-XNUZUHMRSA-N 1 0 370.469 3.521 40 5 FHBBRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000021639697 211319053 /nfs/dbraw/zinc/31/90/53/211319053.db2.gz TZBNVXVCJGDGNP-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O[C@@H](C)C1 ZINC000036631453 571080664 /nfs/dbraw/zinc/08/06/64/571080664.db2.gz LDKVLLQBTHEEJS-ILLUCPLUSA-N 1 0 370.513 3.737 40 5 FHBBRO CC[NH+](CC)CCNc1ccc(CO)c2oc3cc(Cl)ccc3c(=O)c12 ZINC000005010728 571271042 /nfs/dbraw/zinc/27/10/42/571271042.db2.gz SXELCCLTOPMSOW-UHFFFAOYSA-N 1 0 374.868 3.846 40 5 FHBBRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000224644328 571275893 /nfs/dbraw/zinc/27/58/93/571275893.db2.gz CILOLFIJEQNPCU-UHFFFAOYSA-N 1 0 367.449 3.819 40 5 FHBBRO Cc1c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000216926092 571343712 /nfs/dbraw/zinc/34/37/12/571343712.db2.gz SLEQQAYYRLLUHQ-UHFFFAOYSA-N 1 0 369.421 3.629 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000005599491 210630220 /nfs/dbraw/zinc/63/02/20/210630220.db2.gz QZJLOWJCRLBIFV-HBMCJLEFSA-N 1 0 360.518 3.517 40 5 FHBBRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010543032 263366430 /nfs/dbraw/zinc/36/64/30/263366430.db2.gz DARRXLULWCQTOA-ZDUSSCGKSA-N 1 0 353.850 3.633 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC ZINC000245232325 523771180 /nfs/dbraw/zinc/77/11/80/523771180.db2.gz SGWSKHBQJXLTAT-AQOAWAETSA-N 1 0 362.490 3.660 40 5 FHBBRO C[N+]1(CCOC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CCCCC1 ZINC000006519729 570648447 /nfs/dbraw/zinc/64/84/47/570648447.db2.gz FMKABTOECRRBOR-QFIPXVFZSA-N 1 0 360.518 3.628 40 5 FHBBRO CC[N@+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O[C@@H](C)C1 ZINC000245229016 571137016 /nfs/dbraw/zinc/13/70/16/571137016.db2.gz LDKVLLQBTHEEJS-PDXXHEQOSA-N 1 0 370.513 3.737 40 5 FHBBRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000006949719 571255236 /nfs/dbraw/zinc/25/52/36/571255236.db2.gz VJTQKCQCXOVREE-UHFFFAOYSA-N 1 0 357.410 3.698 40 5 FHBBRO Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000009062831 571302367 /nfs/dbraw/zinc/30/23/67/571302367.db2.gz XGKVJLLJZMBPES-UHFFFAOYSA-N 1 0 353.422 3.754 40 5 FHBBRO Cc1ccc(C)c(NC(=O)c2ccc[n+](Cc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000000859289 219331731 /nfs/dbraw/zinc/33/17/31/219331731.db2.gz BRUMORBFKSQECD-UHFFFAOYSA-O 1 0 362.409 3.800 40 5 FHBBRO C[N+]1(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CCCCCC1 ZINC000036640175 211133705 /nfs/dbraw/zinc/13/37/05/211133705.db2.gz PXSFSCZNKUEDPF-DLBGWFIVSA-N 1 0 350.567 3.991 40 5 FHBBRO C[NH2+]CCc1cc(OC)c(OC)c2c1ccc1cc(OC)c(OC)cc12 ZINC000014593230 211096280 /nfs/dbraw/zinc/09/62/80/211096280.db2.gz QGNLUOSBJAGYFF-UHFFFAOYSA-N 1 0 355.434 3.789 40 5 FHBBRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169343 221020821 /nfs/dbraw/zinc/02/08/21/221020821.db2.gz XQUXGOLGVBKTDS-INIZCTEOSA-N 1 0 350.378 3.634 40 5 biogenic,in-vitro FHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000008418779 263354147 /nfs/dbraw/zinc/35/41/47/263354147.db2.gz IDVQRRCXPHTFMT-UHFFFAOYSA-N 1 0 350.216 3.559 40 5 FHBBRO CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC000226070187 570610469 /nfs/dbraw/zinc/61/04/69/570610469.db2.gz DOMJCPLWEGVYHV-GOSISDBHSA-N 1 0 366.566 3.744 40 5 FHBBRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000004887574 210575233 /nfs/dbraw/zinc/57/52/33/210575233.db2.gz IGSLNGYPTRKCAY-ZNXRZULTSA-N 1 0 357.454 3.653 40 5 FHBBRO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017075708 263372167 /nfs/dbraw/zinc/37/21/67/263372167.db2.gz OUQGNPYHQRQOFR-UHFFFAOYSA-N 1 0 369.421 3.598 40 5 FHBBRO CCC[n+]1cc(Br)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000226777953 570611358 /nfs/dbraw/zinc/61/13/58/570611358.db2.gz CJWFGRWWOPAIBS-UHFFFAOYSA-N 1 0 363.191 3.863 40 5 FHBBRO CCCC[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005410215 570626426 /nfs/dbraw/zinc/62/64/26/570626426.db2.gz WVYOKMQKGHNQJA-PDOMDSBESA-N 1 0 360.518 3.627 40 5 FHBBRO CC[NH+](CC)C[C@@H](O)CNc1ccc(C)c2sc3ccccc3c(=O)c12 ZINC000005840007 570636971 /nfs/dbraw/zinc/63/69/71/570636971.db2.gz SVAJGDDAQWJZFK-HNNXBMFYSA-N 1 0 370.518 3.838 40 5 FHBBRO CC[N+]1(C)CC[C@@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 ZINC000005854726 570637158 /nfs/dbraw/zinc/63/71/58/570637158.db2.gz YSWUASFXPBRSMW-AZIDCLHTSA-N 1 0 352.498 3.860 40 5 FHBBRO Cc1c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000038860169 571051999 /nfs/dbraw/zinc/05/19/99/571051999.db2.gz IBMFNANIJWWWGR-MRXNPFEDSA-N 1 0 371.412 3.893 40 5 FHBBRO O=C(OCC[NH+]1CCCCC1)c1cc2c(ccc3ccccc32)oc1=O ZINC000036627519 571080539 /nfs/dbraw/zinc/08/05/39/571080539.db2.gz GBLFAOVUHJBLDB-UHFFFAOYSA-N 1 0 351.402 3.589 40 5 FHBBRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000224643145 571275967 /nfs/dbraw/zinc/27/59/67/571275967.db2.gz TXWFTRGZZUJBCL-UHFFFAOYSA-N 1 0 353.422 3.511 40 5 FHBBRO CC[N+](C)(CC)CCCC(C(=O)NC)(c1ccccc1)c1ccccc1 ZINC000001641378 210363765 /nfs/dbraw/zinc/36/37/65/210363765.db2.gz OMZOYPFSAFKXJZ-UHFFFAOYSA-O 1 0 353.530 3.985 40 5 FHBBRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000224590552 222815591 /nfs/dbraw/zinc/81/55/91/222815591.db2.gz GZPIMRVLZJFXCQ-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO COc1cc2c(cc1OC)[C@H](CCc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC2 ZINC000001999638 210376561 /nfs/dbraw/zinc/37/65/61/210376561.db2.gz AWDKLHCXDUACLM-SFHVURJKSA-N 1 0 356.422 3.774 40 5 FHBBRO COc1ccc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC ZINC000245232328 523770189 /nfs/dbraw/zinc/77/01/89/523770189.db2.gz SGWSKHBQJXLTAT-ZJBJCVSYSA-N 1 0 362.490 3.660 40 5 FHBBRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004887600 570553848 /nfs/dbraw/zinc/55/38/48/570553848.db2.gz SOGTUNSFNZCTHD-QNBRMCRTSA-N 1 0 357.454 3.653 40 5 FHBBRO Cc1cc(N)c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000072414092 570668929 /nfs/dbraw/zinc/66/89/29/570668929.db2.gz FRLCQEFADQNQTE-UHFFFAOYSA-N 1 0 356.769 3.939 40 5 FHBBRO CCCCC[N+](C)(C)C[C@H]1C(=O)O[C@]23[C@@H]4O[C@]4(C)CC[C@@H]2[C@H](C)CC[C@H]13 ZINC000009329249 570694326 /nfs/dbraw/zinc/69/43/26/570694326.db2.gz IPNLZZRAUONHGJ-ZMNDUGMTSA-N 1 0 364.550 3.778 40 5 FHBBRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000039767591 571065483 /nfs/dbraw/zinc/06/54/83/571065483.db2.gz KCIVPGPJCHWLLB-UHFFFAOYSA-N 1 0 353.422 3.754 40 5 FHBBRO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000006595997 571211396 /nfs/dbraw/zinc/21/13/96/571211396.db2.gz ANNDARKJXAHMBZ-UHFFFAOYSA-N 1 0 369.421 3.842 40 5 FHBBRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010543022 571321512 /nfs/dbraw/zinc/32/15/12/571321512.db2.gz VUOXASCNJGERJN-AWEZNQCLSA-N 1 0 353.850 3.633 40 5 FHBBRO C[N+]1(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CCCCCC1 ZINC000036640176 211133651 /nfs/dbraw/zinc/13/36/51/211133651.db2.gz PXSFSCZNKUEDPF-SWXIYASGSA-N 1 0 350.567 3.991 40 5 FHBBRO CC1(C)CCC[N+]1(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000001843219 210373171 /nfs/dbraw/zinc/37/31/71/210373171.db2.gz JYEIMVCNUYZGKO-WTQRLHSKSA-N 1 0 360.518 3.627 40 5 FHBBRO COc1cc2cc[n+]3cc4cc(OC)c(OC)cc4cc3c2cc1OC ZINC000001678493 210365356 /nfs/dbraw/zinc/36/53/56/210365356.db2.gz YIFMVQHDVKSGBP-UHFFFAOYSA-N 1 0 350.394 3.766 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1CCCCC1 ZINC000001593622 210361530 /nfs/dbraw/zinc/36/15/30/210361530.db2.gz VXGDRSHRVQGXKQ-LEWJYISDSA-N 1 0 362.534 3.741 40 5 FHBBRO Cc1c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000009063620 571302656 /nfs/dbraw/zinc/30/26/56/571302656.db2.gz LJCKMWQGGDUBQP-UHFFFAOYSA-N 1 0 371.412 3.893 40 5 FHBBRO CC[C@@]12CCC[N+]3(CC)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000005393589 570625837 /nfs/dbraw/zinc/62/58/37/570625837.db2.gz BYDKBTXPTYHQQH-PFXKXOGNSA-O 1 0 367.513 3.980 40 5 FHBBRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073555462 571190039 /nfs/dbraw/zinc/19/00/39/571190039.db2.gz SHBSNKQZVIKIIB-DHZHZOJOSA-N 1 0 365.433 3.520 40 5 FHBBRO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nc3ccccc3s2)CC1 ZINC000006949887 571297524 /nfs/dbraw/zinc/29/75/24/571297524.db2.gz GFMVSPNYQYHLSV-UHFFFAOYSA-N 1 0 354.435 3.623 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCCC1 ZINC000001593623 570502544 /nfs/dbraw/zinc/50/25/44/570502544.db2.gz VXGDRSHRVQGXKQ-NHCUHLMSSA-N 1 0 362.534 3.741 40 5 FHBBRO Cc1c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000038860172 571052010 /nfs/dbraw/zinc/05/20/10/571052010.db2.gz IBMFNANIJWWWGR-INIZCTEOSA-N 1 0 371.412 3.893 40 5 FHBBRO C[NH+](C)CCOC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000001661146 571162492 /nfs/dbraw/zinc/16/24/92/571162492.db2.gz OPOLPNFVORQKOU-UHFFFAOYSA-N 1 0 357.577 3.632 40 5 FHBBRO CC[NH+](CC)C[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006382416 571182894 /nfs/dbraw/zinc/18/28/94/571182894.db2.gz VURAUJBZAYFIEV-LJQANCHMSA-N 1 0 356.422 3.705 40 5 FHBBRO CC[NH+](CC)C[C@H](O)CNc1ccc(C)c2sc3ccccc3c(=O)c12 ZINC000004366902 570587522 /nfs/dbraw/zinc/58/75/22/570587522.db2.gz SVAJGDDAQWJZFK-OAHLLOKOSA-N 1 0 370.518 3.838 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@@H](C1=CCCCC1)C1(O)CCCCC1 ZINC000006424780 570646914 /nfs/dbraw/zinc/64/69/14/570646914.db2.gz KYAWKULAJPGIMY-LJQANCHMSA-N 1 0 352.539 3.828 40 5 FHBBRO C[N@H+](CCOC(=O)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000005719631 570839461 /nfs/dbraw/zinc/83/94/61/570839461.db2.gz RNFAZLMNMYQBEH-UHFFFAOYSA-N 1 0 358.438 3.652 40 5 FHBBRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063526 571302583 /nfs/dbraw/zinc/30/25/83/571302583.db2.gz PPJDVFPDHQJOEM-UHFFFAOYSA-N 1 0 371.412 3.893 40 5 FHBBRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013669473 220081823 /nfs/dbraw/zinc/08/18/23/220081823.db2.gz AZDPJVYTROXJOZ-CYBMUJFWSA-N 1 0 353.850 3.633 40 5 FHBBRO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000057773955 221092805 /nfs/dbraw/zinc/09/28/05/221092805.db2.gz SNBJECJCIORMBC-ROUUACIJSA-N 1 0 362.433 3.685 40 5 FHBBRO CC[C@]12CCC[N@@+]3(C)CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]23 ZINC000252460939 523632574 /nfs/dbraw/zinc/63/25/74/523632574.db2.gz JIHIFNDXLSTZHZ-CDNNERCOSA-O 1 0 353.486 3.590 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)C1(O)CCC(C)CC1 ZINC000001734044 570505809 /nfs/dbraw/zinc/50/58/09/570505809.db2.gz KPHCJIBEWRFEHP-JGBTYHIZSA-N 1 0 362.534 3.741 40 5 FHBBRO CN1CCN(c2ccc(-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 ZINC000409192160 570583732 /nfs/dbraw/zinc/58/37/32/570583732.db2.gz VBBHACFTWVJSOU-UHFFFAOYSA-N 1 0 354.435 3.623 40 5 FHBBRO CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O[C@@H](C)C1 ZINC000036631455 571080666 /nfs/dbraw/zinc/08/06/66/571080666.db2.gz LDKVLLQBTHEEJS-IPJJNNNSSA-N 1 0 370.513 3.737 40 5 FHBBRO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000216927296 571343703 /nfs/dbraw/zinc/34/37/03/571343703.db2.gz IPFLNNIZZKQFNH-UHFFFAOYSA-N 1 0 369.421 3.629 40 5 FHBBRO CC[N+](C)(CC)CCOC(=O)[C@H](C1=CCCCC1)C1(O)CCCCC1 ZINC000001593614 570502470 /nfs/dbraw/zinc/50/24/70/570502470.db2.gz KYAWKULAJPGIMY-IBGZPJMESA-N 1 0 352.539 3.828 40 5 FHBBRO CC[NH+](CC)CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21 ZINC000005499410 571271088 /nfs/dbraw/zinc/27/10/88/571271088.db2.gz IVUHEFXAWHNEER-UHFFFAOYSA-N 1 0 354.450 3.514 40 5 FHBBRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000194516215 571285327 /nfs/dbraw/zinc/28/53/27/571285327.db2.gz WNQJEQGHUKOHRM-UHFFFAOYSA-N 1 0 373.840 3.774 40 5 FHBBRO CCc1cc([N+](=O)[O-])cc2nc(-c3cc(Br)c[n+](C)c3)oc21 ZINC000226234706 571340365 /nfs/dbraw/zinc/34/03/65/571340365.db2.gz BDZDVRDOLIPEPC-UHFFFAOYSA-N 1 0 363.191 3.552 40 5 FHBBRO COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1O ZINC000001766259 570506689 /nfs/dbraw/zinc/50/66/89/570506689.db2.gz IRDGPROXZSEVTI-UHFFFAOYSA-O 1 0 350.394 3.702 40 5 FHBBRO [NH3+]CCCn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000004744646 570604751 /nfs/dbraw/zinc/60/47/51/570604751.db2.gz PBWDFBXGHJGNPY-UHFFFAOYSA-N 1 0 355.239 3.849 40 5 FHBBRO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)C)cc1 ZINC000226069348 570610428 /nfs/dbraw/zinc/61/04/28/570610428.db2.gz SHBLOPWAAMXYLC-LJQANCHMSA-N 1 0 366.566 3.863 40 5 FHBBRO COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1C2 ZINC000253614777 570626173 /nfs/dbraw/zinc/62/61/73/570626173.db2.gz BMQBFTBKHPYZFM-JPYJTQIMSA-N 1 0 370.469 3.521 40 5 FHBBRO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)C)cc1 ZINC000226069334 222882116 /nfs/dbraw/zinc/88/21/16/222882116.db2.gz SHBLOPWAAMXYLC-IBGZPJMESA-N 1 0 366.566 3.863 40 5 FHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000008418215 263354332 /nfs/dbraw/zinc/35/43/32/263354332.db2.gz IVOICPFZNFZJGK-UHFFFAOYSA-N 1 0 350.216 3.559 40 5 FHBBRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000009063032 571302477 /nfs/dbraw/zinc/30/24/77/571302477.db2.gz VDLAYVYBYOEEPV-UHFFFAOYSA-N 1 0 353.422 3.754 40 5 FHBBRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000224643213 571275980 /nfs/dbraw/zinc/27/59/80/571275980.db2.gz BKOTUINGRVGVQC-UHFFFAOYSA-N 1 0 353.422 3.511 40 5 FHBBRO