smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2CC[NH+](CCCCNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001311379874 1069353248 /nfs/dbraw/zinc/35/32/48/1069353248.db2.gz FUXCBWBSDFDIAG-UHFFFAOYSA-N 1 0 451.571 3.573 20 5 JHBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001307231121 1069909358 /nfs/dbraw/zinc/90/93/58/1069909358.db2.gz FECOLGSKAFKNIC-UHFFFAOYSA-N 1 0 459.572 3.635 20 5 JHBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC001307576692 1070061208 /nfs/dbraw/zinc/06/12/08/1070061208.db2.gz OCANYOZOGURLTQ-YBTBMNATSA-N 1 0 456.587 3.668 20 5 JHBDRO Cc1cccc(-c2noc(CC3CCN([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)n1 ZINC001308078326 1070305629 /nfs/dbraw/zinc/30/56/29/1070305629.db2.gz TZBSBLNWBMNUEX-INIZCTEOSA-N 1 0 450.499 3.630 20 5 JHBDRO COc1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308263364 1070347815 /nfs/dbraw/zinc/34/78/15/1070347815.db2.gz ASFCZZIONVTOAC-HNNXBMFYSA-N 1 0 453.417 3.719 20 5 JHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC001308684962 1070418330 /nfs/dbraw/zinc/41/83/30/1070418330.db2.gz HFLAEISBTUBXOH-LSDHHAIUSA-N 1 0 450.333 3.515 20 5 JHBDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnc(C)s2)C[C@H]1CC ZINC001314497816 1070421286 /nfs/dbraw/zinc/42/12/86/1070421286.db2.gz VULCFQUNZBVNPD-LJQANCHMSA-N 1 0 485.614 3.604 20 5 JHBDRO CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314598685 1070645238 /nfs/dbraw/zinc/64/52/38/1070645238.db2.gz JJBZBTGKRHVTQC-UGKGYDQZSA-N 1 0 488.658 3.934 20 5 JHBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)CC(C)C ZINC001309300870 1070682570 /nfs/dbraw/zinc/68/25/70/1070682570.db2.gz LOKJGWCOLGYWBD-AWEZNQCLSA-N 1 0 450.399 3.701 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001314662846 1070790488 /nfs/dbraw/zinc/79/04/88/1070790488.db2.gz KANBZRADWULBKW-UHFFFAOYSA-N 1 0 499.019 3.816 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001313657716 1070856419 /nfs/dbraw/zinc/85/64/19/1070856419.db2.gz OCFUXHCXMSTANE-DYESRHJHSA-N 1 0 466.590 3.831 20 5 JHBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001313698363 1070970355 /nfs/dbraw/zinc/97/03/55/1070970355.db2.gz ZDLOPZQUJDNDFZ-UHFFFAOYSA-N 1 0 495.584 3.624 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCOCC2)C1 ZINC001313711786 1071006902 /nfs/dbraw/zinc/00/69/02/1071006902.db2.gz GXRSWKOXVFNUCP-UHFFFAOYSA-N 1 0 474.631 3.688 20 5 JHBDRO CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314805220 1071091180 /nfs/dbraw/zinc/09/11/80/1071091180.db2.gz AKCBXABNFOTWHT-IBGZPJMESA-N 1 0 456.591 3.838 20 5 JHBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159605 1071164921 /nfs/dbraw/zinc/16/49/21/1071164921.db2.gz ISCVCNRPLYNOKH-QGZVFWFLSA-N 1 0 450.442 3.609 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314835055 1071176024 /nfs/dbraw/zinc/17/60/24/1071176024.db2.gz YVUMPRJASMJGIO-HSZRJFAPSA-N 1 0 477.613 3.971 20 5 JHBDRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(C)CC(C)C)cn2)CC1 ZINC001313933177 1071597243 /nfs/dbraw/zinc/59/72/43/1071597243.db2.gz JRWPKBNKGSKXFA-UHFFFAOYSA-N 1 0 478.601 3.531 20 5 JHBDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314035499 1071822904 /nfs/dbraw/zinc/82/29/04/1071822904.db2.gz WZXNKOVHOZLBBL-FQEVSTJZSA-N 1 0 499.616 3.833 20 5 JHBDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001314035502 1071822926 /nfs/dbraw/zinc/82/29/26/1071822926.db2.gz WZXNKOVHOZLBBL-HXUWFJFHSA-N 1 0 499.616 3.833 20 5 JHBDRO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)s1 ZINC001305996274 1068361354 /nfs/dbraw/zinc/36/13/54/1068361354.db2.gz QQTKQTYBIPSBJW-JOCHJYFZSA-N 1 0 487.655 3.946 20 5 JHBDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306264743 1068678928 /nfs/dbraw/zinc/67/89/28/1068678928.db2.gz QESYDBDQGRQFPF-XQBPLPMBSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325399 1068762668 /nfs/dbraw/zinc/76/26/68/1068762668.db2.gz XTXJFGWEHAADJA-RTWAWAEBSA-N 1 0 456.591 3.634 20 5 JHBDRO COc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2cc1[N+](=O)[O-] ZINC001164694365 719808990 /nfs/dbraw/zinc/80/89/90/719808990.db2.gz WDZIWRLGNZUCGQ-UHFFFAOYSA-N 1 0 454.556 3.947 20 5 JHBDRO CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816800 720181377 /nfs/dbraw/zinc/18/13/77/720181377.db2.gz MUBWIJNBGGGPIQ-CPJSRVTESA-N 1 0 451.571 3.799 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001164822295 720353780 /nfs/dbraw/zinc/35/37/80/720353780.db2.gz DFJJSVMRZHNJSS-OALUTQOASA-N 1 0 457.962 3.708 20 5 JHBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838763 720617575 /nfs/dbraw/zinc/61/75/75/720617575.db2.gz LPWNYGDVPGJBEL-ACIOBRDBSA-N 1 0 461.570 3.935 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744786 720851442 /nfs/dbraw/zinc/85/14/42/720851442.db2.gz CJTPPXSIQIAQQY-TUACAJSNSA-N 1 0 488.596 3.585 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744812 720854983 /nfs/dbraw/zinc/85/49/83/720854983.db2.gz CKFOMFUWJUZZHL-WOIUINJBSA-N 1 0 494.987 3.676 20 5 JHBDRO O=[N+]([O-])c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752698 720898562 /nfs/dbraw/zinc/89/85/62/720898562.db2.gz FQIZDYFHJWZACF-NBGIEHNGSA-N 1 0 462.554 3.621 20 5 JHBDRO CN(C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754198 720908482 /nfs/dbraw/zinc/90/84/82/720908482.db2.gz UGVNHEUEPBWULX-VHGMLXROSA-N 1 0 492.624 3.672 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776418 721342970 /nfs/dbraw/zinc/34/29/70/721342970.db2.gz BECDSSSJDOETSZ-QHCPKHFHSA-N 1 0 486.960 3.915 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164786139 721376645 /nfs/dbraw/zinc/37/66/45/721376645.db2.gz SVTUEBSFDUXLHY-HSZRJFAPSA-N 1 0 486.960 3.915 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884527 721419034 /nfs/dbraw/zinc/41/90/34/721419034.db2.gz DPFVKNZZTFUCQL-UZUQRXQVSA-N 1 0 459.978 3.562 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903503 721561609 /nfs/dbraw/zinc/56/16/09/721561609.db2.gz BOWYPXFRWCDTBJ-MJGOQNOKSA-N 1 0 453.449 3.672 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903504 721561635 /nfs/dbraw/zinc/56/16/35/721561635.db2.gz BOWYPXFRWCDTBJ-PKOBYXMFSA-N 1 0 453.449 3.672 20 5 JHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938930 721923354 /nfs/dbraw/zinc/92/33/54/721923354.db2.gz CDWXGXYCDWOABS-UHFFFAOYSA-N 1 0 452.342 3.871 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982680 722111391 /nfs/dbraw/zinc/11/13/91/722111391.db2.gz XRYXEVLVHPMPLT-FXAWDEMLSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001306682043 1069412605 /nfs/dbraw/zinc/41/26/05/1069412605.db2.gz AMUJPGASPSZDON-YJBOKZPZSA-N 1 0 470.496 3.741 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994012 1069695666 /nfs/dbraw/zinc/69/56/66/1069695666.db2.gz NYUBAYQJTAYCSK-WIYYLYMNSA-N 1 0 458.584 3.933 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001307032275 1069744076 /nfs/dbraw/zinc/74/40/76/1069744076.db2.gz BQHVERYPCPMSQS-LJQANCHMSA-N 1 0 482.507 3.743 20 5 JHBDRO C[NH+](C)CCN(CC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC001307075162 1069886891 /nfs/dbraw/zinc/88/68/91/1069886891.db2.gz KETKUAWSLNELOT-UHFFFAOYSA-N 1 0 452.621 3.718 20 5 JHBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307111598 1069892773 /nfs/dbraw/zinc/89/27/73/1069892773.db2.gz NQQJUFNBQWENTP-MKQGEQSTSA-N 1 0 450.605 3.515 20 5 JHBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]12 ZINC001307576690 1070061634 /nfs/dbraw/zinc/06/16/34/1070061634.db2.gz OCANYOZOGURLTQ-JMUGLRNTSA-N 1 0 456.587 3.668 20 5 JHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001307729581 1070154015 /nfs/dbraw/zinc/15/40/15/1070154015.db2.gz GWGGOYZMKFLLIK-UHFFFAOYSA-N 1 0 454.527 3.870 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001307759692 1070171114 /nfs/dbraw/zinc/17/11/14/1070171114.db2.gz NXKSRXRFRHOOQA-OAQYLSRUSA-N 1 0 452.555 3.835 20 5 JHBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001307760123 1070171835 /nfs/dbraw/zinc/17/18/35/1070171835.db2.gz DCARTNQJEFTRIM-OAQYLSRUSA-N 1 0 459.388 3.749 20 5 JHBDRO O=C(C[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307837413 1070205754 /nfs/dbraw/zinc/20/57/54/1070205754.db2.gz UVEMZJFTFJDXRN-DOTOQJQBSA-N 1 0 456.852 3.807 20 5 JHBDRO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001307968661 1070263119 /nfs/dbraw/zinc/26/31/19/1070263119.db2.gz XZYVTJMNYHBOIV-GOSISDBHSA-N 1 0 454.502 3.744 20 5 JHBDRO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314432368 1070316985 /nfs/dbraw/zinc/31/69/85/1070316985.db2.gz CHCYCTWXEKLNIO-UXHICEINSA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313447209 1070366141 /nfs/dbraw/zinc/36/61/41/1070366141.db2.gz IODKNAUIYHBKBL-XLIONFOSSA-N 1 0 495.550 3.801 20 5 JHBDRO C[C@H]1C[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1Cc1ccccc1 ZINC001309322347 1070697460 /nfs/dbraw/zinc/69/74/60/1070697460.db2.gz NCTMWRAJEZTRSX-GOEBONIOSA-N 1 0 455.939 3.966 20 5 JHBDRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCC2)C1 ZINC001314624635 1070710179 /nfs/dbraw/zinc/71/01/79/1070710179.db2.gz SOZGCAFAIYYKAO-NRFANRHFSA-N 1 0 499.616 3.785 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001314648747 1070753083 /nfs/dbraw/zinc/75/30/83/1070753083.db2.gz OUSRRWRWXMAXRC-QFIPXVFZSA-N 1 0 456.591 3.573 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426892 1070763394 /nfs/dbraw/zinc/76/33/94/1070763394.db2.gz GCBILDJZOFIZDT-SFHVURJKSA-N 1 0 457.474 3.803 20 5 JHBDRO CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001314660461 1070784524 /nfs/dbraw/zinc/78/45/24/1070784524.db2.gz JMTKZTCFFTUPID-UHFFFAOYSA-N 1 0 478.601 3.673 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001313711603 1071006683 /nfs/dbraw/zinc/00/66/83/1071006683.db2.gz FJVFRROKWFIJGU-OAQYLSRUSA-N 1 0 456.591 3.838 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313712851 1071009838 /nfs/dbraw/zinc/00/98/38/1071009838.db2.gz VUMBWLUBSDBBND-UHFFFAOYSA-N 1 0 482.589 3.835 20 5 JHBDRO CN(CC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314815354 1071120969 /nfs/dbraw/zinc/12/09/69/1071120969.db2.gz KLQFIHXGWUKCHS-OAQYLSRUSA-N 1 0 456.591 3.837 20 5 JHBDRO CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1)C(=O)OC(C)(C)C ZINC001314849273 1071212022 /nfs/dbraw/zinc/21/20/22/1071212022.db2.gz NZZKGFJOYCPWOF-UHFFFAOYSA-N 1 0 499.616 3.785 20 5 JHBDRO Cn1cc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001314904155 1071342115 /nfs/dbraw/zinc/34/21/15/1071342115.db2.gz SHVZZYGYHHFBSB-UHFFFAOYSA-N 1 0 480.617 3.778 20 5 JHBDRO CC[NH+]1CCC(CCn2c([C@H]3CCCO3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001313882022 1071456562 /nfs/dbraw/zinc/45/65/62/1071456562.db2.gz RQKGLEWLDRLWPR-JOCHJYFZSA-N 1 0 456.591 3.839 20 5 JHBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892325 1071487036 /nfs/dbraw/zinc/48/70/36/1071487036.db2.gz XWCXKMCVZUAQFV-QUCCMNQESA-N 1 0 499.616 3.689 20 5 JHBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313949481 1071636379 /nfs/dbraw/zinc/63/63/79/1071636379.db2.gz IVVRVSOPFUAFLM-ICSRJNTNSA-N 1 0 491.587 3.608 20 5 JHBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951560 1071642384 /nfs/dbraw/zinc/64/23/84/1071642384.db2.gz UWTBHLMRAUGOCK-IBGZPJMESA-N 1 0 467.618 3.673 20 5 JHBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951562 1071642435 /nfs/dbraw/zinc/64/24/35/1071642435.db2.gz UWTBHLMRAUGOCK-LJQANCHMSA-N 1 0 467.618 3.673 20 5 JHBDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001306508299 1069095003 /nfs/dbraw/zinc/09/50/03/1069095003.db2.gz DLYROGHSHWHGBB-UHFFFAOYSA-N 1 0 497.644 3.860 20 5 JHBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[N@@H+](C2CCC2)C1 ZINC001310711811 1069127335 /nfs/dbraw/zinc/12/73/35/1069127335.db2.gz SMTOPCSRMWEGQM-GFCCVEGCSA-N 1 0 458.300 3.538 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC2)c2ccccc21 ZINC001164681016 719659248 /nfs/dbraw/zinc/65/92/48/719659248.db2.gz LLBVQIBDCDVETN-IBGZPJMESA-N 1 0 488.592 3.631 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001164820519 720313369 /nfs/dbraw/zinc/31/33/69/720313369.db2.gz HIAGSSILJWBNGQ-RBUKOAKNSA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164828868 720354122 /nfs/dbraw/zinc/35/41/22/720354122.db2.gz QJAUWUKHEVTWFI-SFTDATJTSA-N 1 0 467.545 3.707 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164834008 720510424 /nfs/dbraw/zinc/51/04/24/720510424.db2.gz FCTFGNOSZXUAFG-PVAVHDDUSA-N 1 0 454.909 3.762 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1[N+](=O)[O-] ZINC001164735669 720525147 /nfs/dbraw/zinc/52/51/47/720525147.db2.gz ZYMZAUQMZGOPQB-INIZCTEOSA-N 1 0 463.567 3.969 20 5 JHBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001164733661 720535713 /nfs/dbraw/zinc/53/57/13/720535713.db2.gz DWHJWDSKFBREED-AWEZNQCLSA-N 1 0 477.903 3.645 20 5 JHBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752179 720804875 /nfs/dbraw/zinc/80/48/75/720804875.db2.gz ZANKVTRRROOPPQ-FGZHOGPDSA-N 1 0 498.543 3.854 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744783 720851842 /nfs/dbraw/zinc/85/18/42/720851842.db2.gz CJTPPXSIQIAQQY-NKKJXINNSA-N 1 0 488.596 3.585 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748700 720859312 /nfs/dbraw/zinc/85/93/12/720859312.db2.gz LVWNJCAVQBEFIL-BAGYTPMASA-N 1 0 477.544 3.767 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746014 720859344 /nfs/dbraw/zinc/85/93/44/720859344.db2.gz FEGCQFMHSGEXQS-WSTZPKSXSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753479 720871580 /nfs/dbraw/zinc/87/15/80/720871580.db2.gz PNUPDJXBYOZQAP-CVDCTZTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164752990 720875932 /nfs/dbraw/zinc/87/59/32/720875932.db2.gz OCSIHNAZPRJCMM-HFZDXXHNSA-N 1 0 474.565 3.688 20 5 JHBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861558 720890672 /nfs/dbraw/zinc/89/06/72/720890672.db2.gz PTQISFQOLWNYQZ-LVXARBLLSA-N 1 0 492.576 3.896 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884524 721418738 /nfs/dbraw/zinc/41/87/38/721418738.db2.gz DPFVKNZZTFUCQL-SBUREZEXSA-N 1 0 459.978 3.562 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884520 721419042 /nfs/dbraw/zinc/41/90/42/721419042.db2.gz DPFVKNZZTFUCQL-GAJHUEQPSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164789467 721455280 /nfs/dbraw/zinc/45/52/80/721455280.db2.gz WNUWMRPWIULFNB-LJQANCHMSA-N 1 0 490.004 3.925 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164790569 721457426 /nfs/dbraw/zinc/45/74/26/721457426.db2.gz ZJXGBCFCAZTICO-JOCHJYFZSA-N 1 0 454.571 3.877 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973848 722125505 /nfs/dbraw/zinc/12/55/05/722125505.db2.gz HMLPEVIRMNHVRE-LAUBAEHRSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306641047 1069351233 /nfs/dbraw/zinc/35/12/33/1069351233.db2.gz DGLMKDGJUSUZPD-JOCHJYFZSA-N 1 0 455.607 3.648 20 5 JHBDRO CCCC[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306683995 1069418812 /nfs/dbraw/zinc/41/88/12/1069418812.db2.gz DKQIULOLNCPSEO-UHFFFAOYSA-N 1 0 455.607 3.902 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306728604 1069476117 /nfs/dbraw/zinc/47/61/17/1069476117.db2.gz URZYDQKVPQWUOR-QFIPXVFZSA-N 1 0 455.607 3.730 20 5 JHBDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC001311809565 1069554194 /nfs/dbraw/zinc/55/41/94/1069554194.db2.gz LMPJRGXHQAOHDY-KRWDZBQOSA-N 1 0 451.321 3.895 20 5 JHBDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC001311809566 1069554348 /nfs/dbraw/zinc/55/43/48/1069554348.db2.gz LMPJRGXHQAOHDY-QGZVFWFLSA-N 1 0 451.321 3.895 20 5 JHBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001306779008 1069574790 /nfs/dbraw/zinc/57/47/90/1069574790.db2.gz CVXLAQFZSNPYRC-UQBPGWFLSA-N 1 0 470.618 3.963 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001307033814 1069749100 /nfs/dbraw/zinc/74/91/00/1069749100.db2.gz MQQCZQLVKLHYLB-QGZVFWFLSA-N 1 0 455.588 3.987 20 5 JHBDRO COC(=O)/C=C\c1ccc(NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001307124299 1069896680 /nfs/dbraw/zinc/89/66/80/1069896680.db2.gz MEMGQTOWALSABF-POHAHGRESA-N 1 0 452.511 3.816 20 5 JHBDRO O=C(CS[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307361097 1069961456 /nfs/dbraw/zinc/96/14/56/1069961456.db2.gz VOFWUZUPKJFEBR-QHCPKHFHSA-N 1 0 454.596 3.641 20 5 JHBDRO C[N@@H+]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1Cc1ccccc1 ZINC001307750637 1070165900 /nfs/dbraw/zinc/16/59/00/1070165900.db2.gz VLFQSLAXMNLWAH-HXUWFJFHSA-N 1 0 451.552 3.516 20 5 JHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001307844724 1070209785 /nfs/dbraw/zinc/20/97/85/1070209785.db2.gz SBHRDAOSKJEGKT-YZUZCNPQSA-N 1 0 458.518 3.784 20 5 JHBDRO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314432111 1070316052 /nfs/dbraw/zinc/31/60/52/1070316052.db2.gz BRRQOKVGBMRYHJ-PMACEKPBSA-N 1 0 456.591 3.981 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001308378332 1070364496 /nfs/dbraw/zinc/36/44/96/1070364496.db2.gz HAXMPKPHFPEJRG-HNNXBMFYSA-N 1 0 453.417 3.534 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCCO)CC1 ZINC001313448581 1070371431 /nfs/dbraw/zinc/37/14/31/1070371431.db2.gz RIFSXHGRDRJCJZ-QFIPXVFZSA-N 1 0 456.591 3.717 20 5 JHBDRO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308502075 1070382343 /nfs/dbraw/zinc/38/23/43/1070382343.db2.gz WPSIEPCSNYUTHE-QGZVFWFLSA-N 1 0 450.360 3.831 20 5 JHBDRO C/C(=C/c1ccccc1C(F)(F)F)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001308746823 1070429324 /nfs/dbraw/zinc/42/93/24/1070429324.db2.gz JPPLHLNATTVFDO-KAMYIIQDSA-N 1 0 457.474 3.886 20 5 JHBDRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC001314658442 1070779440 /nfs/dbraw/zinc/77/94/40/1070779440.db2.gz CNDNRZMGIGRORG-XMMPIXPASA-N 1 0 487.674 3.539 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001313657717 1070856987 /nfs/dbraw/zinc/85/69/87/1070856987.db2.gz OCFUXHCXMSTANE-LAUBAEHRSA-N 1 0 466.590 3.831 20 5 JHBDRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314704964 1070874194 /nfs/dbraw/zinc/87/41/94/1070874194.db2.gz YOZGFZKFIAKCMN-GOSISDBHSA-N 1 0 485.614 3.569 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCC1 ZINC001314749767 1071000101 /nfs/dbraw/zinc/00/01/01/1071000101.db2.gz OJZHTISPZKSIQT-UHFFFAOYSA-N 1 0 488.390 3.687 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001313725433 1071032733 /nfs/dbraw/zinc/03/27/33/1071032733.db2.gz JEKPASAIJXIPNJ-UXHICEINSA-N 1 0 486.617 3.858 20 5 JHBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001313750251 1071081565 /nfs/dbraw/zinc/08/15/65/1071081565.db2.gz CDKAJGMAAPZAEQ-OAQYLSRUSA-N 1 0 466.590 3.734 20 5 JHBDRO CN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314835039 1071176082 /nfs/dbraw/zinc/17/60/82/1071176082.db2.gz YTDHSBTWYJHPEE-UHFFFAOYSA-N 1 0 470.599 3.705 20 5 JHBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313897143 1071500968 /nfs/dbraw/zinc/50/09/68/1071500968.db2.gz ULGVSKAUQLLAFP-JOCHJYFZSA-N 1 0 499.616 3.642 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001313907653 1071528949 /nfs/dbraw/zinc/52/89/49/1071528949.db2.gz JKWWCOSLAZGZSF-OFNKIYASSA-N 1 0 497.644 3.716 20 5 JHBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313909389 1071532561 /nfs/dbraw/zinc/53/25/61/1071532561.db2.gz PEPWKBJIKMMZQA-JOCHJYFZSA-N 1 0 483.617 3.598 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934005 1071600606 /nfs/dbraw/zinc/60/06/06/1071600606.db2.gz RBKCTTZLAUWRAD-ZWKOTPCHSA-N 1 0 487.605 3.545 20 5 JHBDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001314014979 1071756286 /nfs/dbraw/zinc/75/62/86/1071756286.db2.gz ZBUWAHPMFBYHOE-JOCHJYFZSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001306321870 1068752221 /nfs/dbraw/zinc/75/22/21/1068752221.db2.gz FBVMTKYJDKUZKQ-QFIPXVFZSA-N 1 0 480.617 3.949 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306405291 1068872310 /nfs/dbraw/zinc/87/23/10/1068872310.db2.gz CQZWJANBFWUPJX-IIZPIQPGSA-N 1 0 486.617 3.604 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164683288 719657695 /nfs/dbraw/zinc/65/76/95/719657695.db2.gz VAAKLIOZDYDNDU-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164712701 720139703 /nfs/dbraw/zinc/13/97/03/720139703.db2.gz OMQDHRUZOQXFMX-HSZRJFAPSA-N 1 0 474.565 3.954 20 5 JHBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CCC2 ZINC001164811950 720220352 /nfs/dbraw/zinc/22/03/52/720220352.db2.gz BGLPMJGHMMFKFA-UHFFFAOYSA-N 1 0 456.934 3.604 20 5 JHBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CCC2 ZINC001164816799 720245783 /nfs/dbraw/zinc/24/57/83/720245783.db2.gz MTXZFOLHGMZDGP-UHFFFAOYSA-N 1 0 456.934 3.604 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747509 720848505 /nfs/dbraw/zinc/84/85/05/720848505.db2.gz RAWSRVBSDMWMPA-HGHGUNKESA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758172 720886385 /nfs/dbraw/zinc/88/63/85/720886385.db2.gz XJXYTZDWUXHNJZ-LVXARBLLSA-N 1 0 474.565 3.688 20 5 JHBDRO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754195 720908261 /nfs/dbraw/zinc/90/82/61/720908261.db2.gz UGVNHEUEPBWULX-DXKDYLDYSA-N 1 0 492.624 3.672 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874506 721171727 /nfs/dbraw/zinc/17/17/27/721171727.db2.gz KEFUJTMAWDGNHJ-RBUKOAKNSA-N 1 0 466.929 3.580 20 5 JHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165022769 721843540 /nfs/dbraw/zinc/84/35/40/721843540.db2.gz UHGZXHTYUCEKJB-FMIVXFBMSA-N 1 0 455.559 3.640 20 5 JHBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936258 721889649 /nfs/dbraw/zinc/88/96/49/721889649.db2.gz YWEMUWPIZXZBIF-GOTSBHOMSA-N 1 0 461.566 3.937 20 5 JHBDRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164961644 722060513 /nfs/dbraw/zinc/06/05/13/722060513.db2.gz NNKBECSSVIMUIH-UHFFFAOYSA-N 1 0 474.565 3.874 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982689 722111492 /nfs/dbraw/zinc/11/14/92/722111492.db2.gz XRYXEVLVHPMPLT-XLIONFOSSA-N 1 0 453.930 3.919 20 5 JHBDRO CCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978034 722147020 /nfs/dbraw/zinc/14/70/20/722147020.db2.gz JIJHOWQTVIOVMP-URXFXBBRSA-N 1 0 474.565 3.737 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982143 722150833 /nfs/dbraw/zinc/15/08/33/722150833.db2.gz RDWRKROPWWLBOG-WMZHIEFXSA-N 1 0 480.956 3.828 20 5 JHBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NCC1([NH+]2CCSCC2)CCCC1 ZINC001311585216 1069451051 /nfs/dbraw/zinc/45/10/51/1069451051.db2.gz ZZCZGPQUYXVQJP-UHFFFAOYSA-N 1 0 457.394 3.518 20 5 JHBDRO CCOc1cc(N2CCN(C(=O)NC3CCC([NH+]4CCCCC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001312168104 1069761967 /nfs/dbraw/zinc/76/19/67/1069761967.db2.gz DOXOZHSLJISELY-UHFFFAOYSA-N 1 0 459.591 3.622 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001307045716 1069782383 /nfs/dbraw/zinc/78/23/83/1069782383.db2.gz LKMDJWYNAPZIPG-HOYKHHGWSA-N 1 0 456.591 3.715 20 5 JHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001307603697 1070077363 /nfs/dbraw/zinc/07/73/63/1070077363.db2.gz QXPWXBMNRKFRSP-HSZRJFAPSA-N 1 0 454.571 3.873 20 5 JHBDRO CC(C)COc1ccc(C(C)(C)[NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001307632917 1070092344 /nfs/dbraw/zinc/09/23/44/1070092344.db2.gz MXQWWNIBJHVUGO-UHFFFAOYSA-N 1 0 454.571 3.803 20 5 JHBDRO CCOc1ccc(NC(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC001307803823 1070190416 /nfs/dbraw/zinc/19/04/16/1070190416.db2.gz STBRZNQYZGATKQ-UHFFFAOYSA-N 1 0 452.555 3.920 20 5 JHBDRO CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314389588 1070242006 /nfs/dbraw/zinc/24/20/06/1070242006.db2.gz HOAOTYYFHLBKER-NLFFAJNJSA-N 1 0 485.633 3.560 20 5 JHBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009384 1070278367 /nfs/dbraw/zinc/27/83/67/1070278367.db2.gz RIBSTIKIALVZLZ-RIEVBORMSA-N 1 0 452.555 3.774 20 5 JHBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009382 1070278421 /nfs/dbraw/zinc/27/84/21/1070278421.db2.gz RIBSTIKIALVZLZ-PISWEHOVSA-N 1 0 452.555 3.774 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001308031803 1070287528 /nfs/dbraw/zinc/28/75/28/1070287528.db2.gz RMHSUMQWKZNRPJ-CJFMBICVSA-N 1 0 452.555 3.597 20 5 JHBDRO Cc1c(NC(=O)CC[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC001308116639 1070319363 /nfs/dbraw/zinc/31/93/63/1070319363.db2.gz BMNOVLIAADQQSF-HXUWFJFHSA-N 1 0 450.333 3.578 20 5 JHBDRO Cc1c(NC(=O)CC[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC001308116638 1070319468 /nfs/dbraw/zinc/31/94/68/1070319468.db2.gz BMNOVLIAADQQSF-FQEVSTJZSA-N 1 0 450.333 3.578 20 5 JHBDRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001308622776 1070403888 /nfs/dbraw/zinc/40/38/88/1070403888.db2.gz BHULVMRQLFIEFD-UHFFFAOYSA-N 1 0 452.477 3.876 20 5 JHBDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001308773933 1070435587 /nfs/dbraw/zinc/43/55/87/1070435587.db2.gz CEUSVFYWQJOALD-OAHLLOKOSA-N 1 0 451.976 3.967 20 5 JHBDRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314600810 1070650766 /nfs/dbraw/zinc/65/07/66/1070650766.db2.gz QAHFGSUWCRQPBB-JOCHJYFZSA-N 1 0 488.658 3.812 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC001313585317 1070709921 /nfs/dbraw/zinc/70/99/21/1070709921.db2.gz WHZFVRNYLURNIL-UHFFFAOYSA-N 1 0 455.607 3.648 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCC(N)=O)CC1)C1CCCCC1 ZINC001314647883 1070751229 /nfs/dbraw/zinc/75/12/29/1070751229.db2.gz FXJBGFGDMJGGGR-HSZRJFAPSA-N 1 0 497.644 3.846 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314649122 1070754313 /nfs/dbraw/zinc/75/43/13/1070754313.db2.gz RZWTWFXUUNALFJ-IBGZPJMESA-N 1 0 456.572 3.833 20 5 JHBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)C1 ZINC001313702095 1070982744 /nfs/dbraw/zinc/98/27/44/1070982744.db2.gz MQMKAOPHGUXLAV-YLJYHZDGSA-N 1 0 476.672 3.870 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313724336 1071030534 /nfs/dbraw/zinc/03/05/34/1071030534.db2.gz RAPXYVQEVKLXNH-QGZVFWFLSA-N 1 0 482.589 3.833 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314833144 1071169130 /nfs/dbraw/zinc/16/91/30/1071169130.db2.gz IFZVNJLQJOVRKQ-HXUWFJFHSA-N 1 0 456.591 3.634 20 5 JHBDRO CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001313804591 1071215782 /nfs/dbraw/zinc/21/57/82/1071215782.db2.gz CDXGMAHVBZQCSH-UHFFFAOYSA-N 1 0 499.616 3.642 20 5 JHBDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314966806 1071450771 /nfs/dbraw/zinc/45/07/71/1071450771.db2.gz VAFBUOYMUGDTOK-SANMLTNESA-N 1 0 497.644 3.574 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313910523 1071534466 /nfs/dbraw/zinc/53/44/66/1071534466.db2.gz VWUMAFZGAFIXNH-NRFANRHFSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919717 1071557707 /nfs/dbraw/zinc/55/77/07/1071557707.db2.gz FRRSXQOWIOAKIS-VQTJNVASSA-N 1 0 469.634 3.752 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313954526 1071651707 /nfs/dbraw/zinc/65/17/07/1071651707.db2.gz PRJHDXQXUBVTEX-HXUWFJFHSA-N 1 0 455.607 3.507 20 5 JHBDRO CCOC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001314020778 1071772771 /nfs/dbraw/zinc/77/27/71/1071772771.db2.gz YJKAXUHUGPFTDY-UHFFFAOYSA-N 1 0 499.616 3.788 20 5 JHBDRO CCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001306141889 1068543276 /nfs/dbraw/zinc/54/32/76/1068543276.db2.gz XWEOILHRZLDOHX-SFHVURJKSA-N 1 0 466.590 3.916 20 5 JHBDRO CCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306141887 1068543381 /nfs/dbraw/zinc/54/33/81/1068543381.db2.gz XWEOILHRZLDOHX-GOSISDBHSA-N 1 0 466.590 3.916 20 5 JHBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001310508304 1068991035 /nfs/dbraw/zinc/99/10/35/1068991035.db2.gz BWVARZLSPNRBJT-UHFFFAOYSA-N 1 0 451.321 3.662 20 5 JHBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680320 719653590 /nfs/dbraw/zinc/65/35/90/719653590.db2.gz FIZPWQWWFYPUMX-UHFFFAOYSA-N 1 0 491.930 3.985 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164684474 719657613 /nfs/dbraw/zinc/65/76/13/719657613.db2.gz XOQRWCAZDJDHBX-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164710818 720148832 /nfs/dbraw/zinc/14/88/32/720148832.db2.gz DDSZSUFDJZNKCU-NRFANRHFSA-N 1 0 474.565 3.954 20 5 JHBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001164734018 720534488 /nfs/dbraw/zinc/53/44/88/720534488.db2.gz FYCJFIQZLAZWCE-CQSZACIVSA-N 1 0 477.903 3.645 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744781 720851358 /nfs/dbraw/zinc/85/13/58/720851358.db2.gz CJTPPXSIQIAQQY-FGCOXFRFSA-N 1 0 488.596 3.585 20 5 JHBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164752991 720875525 /nfs/dbraw/zinc/87/55/25/720875525.db2.gz OCSIHNAZPRJCMM-LVXARBLLSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755761 720878003 /nfs/dbraw/zinc/87/80/03/720878003.db2.gz YSPHYYNDNULQJU-XXBNENTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754489 720896100 /nfs/dbraw/zinc/89/61/00/720896100.db2.gz JCJZQYKRYYECLC-CPJSRVTESA-N 1 0 462.554 3.621 20 5 JHBDRO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754196 720907945 /nfs/dbraw/zinc/90/79/45/720907945.db2.gz UGVNHEUEPBWULX-GHWGXPKISA-N 1 0 492.624 3.672 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164783327 721455787 /nfs/dbraw/zinc/45/57/87/721455787.db2.gz BLKLNMMFLFKKRS-SFHVURJKSA-N 1 0 488.963 3.922 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164783231 721456119 /nfs/dbraw/zinc/45/61/19/721456119.db2.gz AHFXZHFQWLJQAG-SFHVURJKSA-N 1 0 452.983 3.686 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164790100 721469801 /nfs/dbraw/zinc/46/98/01/721469801.db2.gz QWIYRGJTZXWBIY-OAQYLSRUSA-N 1 0 499.587 3.925 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908562 721554178 /nfs/dbraw/zinc/55/41/78/721554178.db2.gz QIQTWOZVRDENOH-DGCLKSJQSA-N 1 0 461.803 3.538 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932304 721880245 /nfs/dbraw/zinc/88/02/45/721880245.db2.gz IMHFQXDOZSIWFR-RBUKOAKNSA-N 1 0 452.584 3.790 20 5 JHBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311818957 1069558520 /nfs/dbraw/zinc/55/85/20/1069558520.db2.gz AFUTWHAZMBLPAZ-GOSISDBHSA-N 1 0 457.550 3.869 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nnc(C)s2)CC1 ZINC001307045237 1069781653 /nfs/dbraw/zinc/78/16/53/1069781653.db2.gz DWNUQIVJUMXSPW-UHFFFAOYSA-N 1 0 470.603 3.567 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307057081 1069831515 /nfs/dbraw/zinc/83/15/15/1069831515.db2.gz VKGMNXCLLUYVGP-IRLDBZIGSA-N 1 0 483.617 3.613 20 5 JHBDRO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1=O ZINC001307061944 1069857146 /nfs/dbraw/zinc/85/71/46/1069857146.db2.gz OTJWXGIFRNSRIJ-HXUWFJFHSA-N 1 0 483.617 3.567 20 5 JHBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001307086151 1069888332 /nfs/dbraw/zinc/88/83/32/1069888332.db2.gz RXRQKDIXQXNHGS-UHFFFAOYSA-N 1 0 452.433 3.896 20 5 JHBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1C ZINC001307195442 1069906252 /nfs/dbraw/zinc/90/62/52/1069906252.db2.gz JHHQMHZJQGKMDR-UQBPGWFLSA-N 1 0 453.539 3.950 20 5 JHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307719044 1070144405 /nfs/dbraw/zinc/14/44/05/1070144405.db2.gz IDSFFVBSGWYNST-MRXNPFEDSA-N 1 0 456.547 3.878 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001307749349 1070164622 /nfs/dbraw/zinc/16/46/22/1070164622.db2.gz NHUDWZZADFCFCD-INIZCTEOSA-N 1 0 450.536 3.701 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC001308270501 1070349244 /nfs/dbraw/zinc/34/92/44/1070349244.db2.gz YIVCTEMBKCODBG-INIZCTEOSA-N 1 0 453.417 3.534 20 5 JHBDRO COc1ccc(-c2ccc(CNc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC001308325080 1070356280 /nfs/dbraw/zinc/35/62/80/1070356280.db2.gz TYEWXKMXMCAZTD-OAQYLSRUSA-N 1 0 450.495 3.925 20 5 JHBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434481 1070375481 /nfs/dbraw/zinc/37/54/81/1070375481.db2.gz XCPGRGQSFVOFKB-CVDCTZTESA-N 1 0 452.511 3.926 20 5 JHBDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001308480984 1070380005 /nfs/dbraw/zinc/38/00/05/1070380005.db2.gz KBGAABHEYAQIJE-ABAIWWIYSA-N 1 0 461.300 3.687 20 5 JHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC001308684958 1070418565 /nfs/dbraw/zinc/41/85/65/1070418565.db2.gz HFLAEISBTUBXOH-CABCVRRESA-N 1 0 450.333 3.515 20 5 JHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309112893 1070545919 /nfs/dbraw/zinc/54/59/19/1070545919.db2.gz RBUKOFQDVBXJAR-INIZCTEOSA-N 1 0 457.474 3.804 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314652023 1070762396 /nfs/dbraw/zinc/76/23/96/1070762396.db2.gz GPEFWCNZAQFYMH-NRFANRHFSA-N 1 0 496.591 3.647 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313661647 1070868916 /nfs/dbraw/zinc/86/89/16/1070868916.db2.gz GLRNDNIWRJLYSB-FQEVSTJZSA-N 1 0 478.601 3.614 20 5 JHBDRO CC[NH+](CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1)c1ccco1 ZINC001313675348 1070915923 /nfs/dbraw/zinc/91/59/23/1070915923.db2.gz SAJWOCQURKQTBF-WOJBJXKFSA-N 1 0 454.531 3.755 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314749858 1071000636 /nfs/dbraw/zinc/00/06/36/1071000636.db2.gz PYBNIXOMGMTERR-KNQAVFIVSA-N 1 0 460.604 3.502 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001309871360 1071001197 /nfs/dbraw/zinc/00/11/97/1071001197.db2.gz NARYHKMRBUWWTC-CVEARBPZSA-N 1 0 453.923 3.530 20 5 JHBDRO CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314788768 1071065497 /nfs/dbraw/zinc/06/54/97/1071065497.db2.gz JDAIEHRAUALBBN-HXUWFJFHSA-N 1 0 467.618 3.672 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314830647 1071162170 /nfs/dbraw/zinc/16/21/70/1071162170.db2.gz VETVXGSWTDYVMD-NRFANRHFSA-N 1 0 451.575 3.981 20 5 JHBDRO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC001313835776 1071314222 /nfs/dbraw/zinc/31/42/22/1071314222.db2.gz JSTWOYBYLHIFBD-IBGZPJMESA-N 1 0 466.590 3.828 20 5 JHBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001310364985 1071341540 /nfs/dbraw/zinc/34/15/40/1071341540.db2.gz TWMAJANGOZMMGQ-UHFFFAOYSA-N 1 0 453.543 3.942 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860982 1071371639 /nfs/dbraw/zinc/37/16/39/1071371639.db2.gz NWYWRTXKMFOTEX-OKZBNKHCSA-N 1 0 495.550 3.656 20 5 JHBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001310465191 1071407288 /nfs/dbraw/zinc/40/72/88/1071407288.db2.gz BYJLRSYRUANRCZ-UHFFFAOYSA-N 1 0 451.321 3.962 20 5 JHBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892323 1071486892 /nfs/dbraw/zinc/48/68/92/1071486892.db2.gz XWCXKMCVZUAQFV-ICSRJNTNSA-N 1 0 499.616 3.689 20 5 JHBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313949484 1071636326 /nfs/dbraw/zinc/63/63/26/1071636326.db2.gz IVVRVSOPFUAFLM-UYAOXDASSA-N 1 0 491.587 3.608 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313955508 1071655535 /nfs/dbraw/zinc/65/55/35/1071655535.db2.gz VHBZPIMQAGWHRH-VWLOTQADSA-N 1 0 469.634 3.897 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306320088 1068747296 /nfs/dbraw/zinc/74/72/96/1068747296.db2.gz PITDUUGCRJKMHL-IFMALSPDSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001306320188 1068747953 /nfs/dbraw/zinc/74/79/53/1068747953.db2.gz RCVMIDQWTYNXNM-TZIWHRDSSA-N 1 0 456.591 3.981 20 5 JHBDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCCC2)C1 ZINC001306498993 1069052589 /nfs/dbraw/zinc/05/25/89/1069052589.db2.gz MWIOGALSIUGQCZ-NRFANRHFSA-N 1 0 483.617 3.614 20 5 JHBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164618907 719020165 /nfs/dbraw/zinc/02/01/65/719020165.db2.gz USGPKGQTEHYOQB-BVGQSLNGSA-N 1 0 466.872 3.585 20 5 JHBDRO CCc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164831605 720344724 /nfs/dbraw/zinc/34/47/24/720344724.db2.gz YYTXZLORFMWEGJ-GOTSBHOMSA-N 1 0 478.597 3.526 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740141 720697599 /nfs/dbraw/zinc/69/75/99/720697599.db2.gz QHSQVIRUQOZKDV-GOEBONIOSA-N 1 0 486.891 3.707 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737485 720764438 /nfs/dbraw/zinc/76/44/38/720764438.db2.gz BVYARYLPVLNBQO-ZWKOTPCHSA-N 1 0 489.561 3.707 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737482 720764894 /nfs/dbraw/zinc/76/48/94/720764894.db2.gz BVYARYLPVLNBQO-MSOLQXFVSA-N 1 0 489.561 3.707 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742611 720824503 /nfs/dbraw/zinc/82/45/03/720824503.db2.gz QCJPORPGLFFOKD-MBOZVWFJSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742614 720824593 /nfs/dbraw/zinc/82/45/93/720824593.db2.gz QCJPORPGLFFOKD-SQGPQFPESA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755759 720877965 /nfs/dbraw/zinc/87/79/65/720877965.db2.gz YSPHYYNDNULQJU-CVDCTZTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164748423 720878540 /nfs/dbraw/zinc/87/85/40/720878540.db2.gz DTDHBLOVRGWZHZ-LVXARBLLSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750679 720880603 /nfs/dbraw/zinc/88/06/03/720880603.db2.gz JNDOYJYFVMISHU-VGOFRKELSA-N 1 0 493.395 3.842 20 5 JHBDRO CCOc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752756 720899215 /nfs/dbraw/zinc/89/92/15/720899215.db2.gz FYOVDHFNXVGGKZ-BWKNWUBXSA-N 1 0 467.570 3.539 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888803 721405221 /nfs/dbraw/zinc/40/52/21/721405221.db2.gz OQVQYTVESCYSAA-UZUQRXQVSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164787502 721474144 /nfs/dbraw/zinc/47/41/44/721474144.db2.gz GGCHUVYIOSMZGK-IBGZPJMESA-N 1 0 490.004 3.925 20 5 JHBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936260 721889668 /nfs/dbraw/zinc/88/96/68/721889668.db2.gz YWEMUWPIZXZBIF-XZOQPEGZSA-N 1 0 461.566 3.937 20 5 JHBDRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2cc1[N+](=O)[O-] ZINC001164940863 721926471 /nfs/dbraw/zinc/92/64/71/721926471.db2.gz VIAJPQSLMORQRC-UHFFFAOYSA-N 1 0 463.538 3.726 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973846 722125658 /nfs/dbraw/zinc/12/56/58/722125658.db2.gz HMLPEVIRMNHVRE-DYESRHJHSA-N 1 0 453.930 3.919 20 5 JHBDRO CCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978032 722147277 /nfs/dbraw/zinc/14/72/77/722147277.db2.gz JIJHOWQTVIOVMP-QPPBQGQZSA-N 1 0 474.565 3.737 20 5 JHBDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001306660881 1069380361 /nfs/dbraw/zinc/38/03/61/1069380361.db2.gz AFEMPCFSNFTXAR-FQEVSTJZSA-N 1 0 497.644 3.670 20 5 JHBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001306682042 1069412633 /nfs/dbraw/zinc/41/26/33/1069412633.db2.gz AMUJPGASPSZDON-QAPCUYQASA-N 1 0 470.496 3.741 20 5 JHBDRO COc1cc(CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001311594607 1069456338 /nfs/dbraw/zinc/45/63/38/1069456338.db2.gz UHYKBXJKJZNXDH-HXUWFJFHSA-N 1 0 456.543 3.681 20 5 JHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686796 1069503471 /nfs/dbraw/zinc/50/34/71/1069503471.db2.gz ALRPAZZBICUDNV-JKSUJKDBSA-N 1 0 457.497 3.566 20 5 JHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001306985827 1069694354 /nfs/dbraw/zinc/69/43/54/1069694354.db2.gz IFALAQHPBIUCHC-IBGZPJMESA-N 1 0 452.964 3.748 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001307040264 1069766835 /nfs/dbraw/zinc/76/68/35/1069766835.db2.gz KPKFQAJTTLEHCP-SFHVURJKSA-N 1 0 469.615 3.910 20 5 JHBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC001307074469 1069886589 /nfs/dbraw/zinc/88/65/89/1069886589.db2.gz DIWQLINYCMFSMA-UHFFFAOYSA-N 1 0 450.605 3.614 20 5 JHBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648926 1070100881 /nfs/dbraw/zinc/10/08/81/1070100881.db2.gz CPDHRCQXMHHYQZ-RDJZCZTQSA-N 1 0 450.536 3.557 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307709235 1070138662 /nfs/dbraw/zinc/13/86/62/1070138662.db2.gz XRHRKEZLLKWFKD-NVXWUHKLSA-N 1 0 450.536 3.605 20 5 JHBDRO CCOCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001314392524 1070249075 /nfs/dbraw/zinc/24/90/75/1070249075.db2.gz ZXAPIFQKVMZCTB-FQEVSTJZSA-N 1 0 485.633 3.560 20 5 JHBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Br)c1 ZINC001308020796 1070283215 /nfs/dbraw/zinc/28/32/15/1070283215.db2.gz VYNFPFRWPGHFGV-QGZVFWFLSA-N 1 0 452.305 3.672 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001308378333 1070364279 /nfs/dbraw/zinc/36/42/79/1070364279.db2.gz HAXMPKPHFPEJRG-OAHLLOKOSA-N 1 0 453.417 3.534 20 5 JHBDRO COC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001308836641 1070445294 /nfs/dbraw/zinc/44/52/94/1070445294.db2.gz SXPQTIWUCXNNPT-VQTJNVASSA-N 1 0 470.522 3.704 20 5 JHBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309014504 1070485518 /nfs/dbraw/zinc/48/55/18/1070485518.db2.gz SSASQMSJURLMSL-SFHVURJKSA-N 1 0 456.362 3.719 20 5 JHBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])s1 ZINC001309127921 1070553981 /nfs/dbraw/zinc/55/39/81/1070553981.db2.gz SGNLBWCOTXVCNN-UHFFFAOYSA-N 1 0 451.492 3.736 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001314663777 1070793052 /nfs/dbraw/zinc/79/30/52/1070793052.db2.gz ZTNJXACDLYVIEF-UHFFFAOYSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001313656353 1070850587 /nfs/dbraw/zinc/85/05/87/1070850587.db2.gz BEIUUTQMNLMUPW-LAUBAEHRSA-N 1 0 452.563 3.659 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001313657718 1070857085 /nfs/dbraw/zinc/85/70/85/1070857085.db2.gz OCFUXHCXMSTANE-UTKZUKDTSA-N 1 0 466.590 3.831 20 5 JHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001309872711 1071001974 /nfs/dbraw/zinc/00/19/74/1071001974.db2.gz XIXVVGFSZIBJTE-SJORKVTESA-N 1 0 469.485 3.756 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001313714838 1071013180 /nfs/dbraw/zinc/01/31/80/1071013180.db2.gz SYVARIPDYZTNOE-UHFFFAOYSA-N 1 0 466.590 3.932 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313724342 1071030559 /nfs/dbraw/zinc/03/05/59/1071030559.db2.gz RJTQMLUXXWDQEZ-VQIMIIECSA-N 1 0 471.587 3.618 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001313725434 1071032628 /nfs/dbraw/zinc/03/26/28/1071032628.db2.gz JEKPASAIJXIPNJ-WOJBJXKFSA-N 1 0 486.617 3.858 20 5 JHBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910303 1071535266 /nfs/dbraw/zinc/53/52/66/1071535266.db2.gz FSQLSEKCMRSCOU-RBBKRZOGSA-N 1 0 456.591 3.980 20 5 JHBDRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306286675 1068704700 /nfs/dbraw/zinc/70/47/00/1068704700.db2.gz LJMRNUPIDAUJMY-UYAOXDASSA-N 1 0 456.591 3.713 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001311243354 1069306245 /nfs/dbraw/zinc/30/62/45/1069306245.db2.gz JJBLCMGAGCPFFQ-UHFFFAOYSA-N 1 0 451.449 3.730 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCc3ccccc3OC3CCCC3)c2)CC1 ZINC001311242516 1069306353 /nfs/dbraw/zinc/30/63/53/1069306353.db2.gz ACTCBHPIIDDYDH-UHFFFAOYSA-N 1 0 453.543 3.990 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164679954 719660809 /nfs/dbraw/zinc/66/08/09/719660809.db2.gz BGKPYWCBOOGKGE-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC2)c2ccccc21 ZINC001164681747 719661348 /nfs/dbraw/zinc/66/13/48/719661348.db2.gz QNSOTOUTHBUOBJ-LJQANCHMSA-N 1 0 488.592 3.631 20 5 JHBDRO Cc1c(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164680057 719670786 /nfs/dbraw/zinc/67/07/86/719670786.db2.gz BCBWBSPAEXHUBM-FQEVSTJZSA-N 1 0 465.598 3.700 20 5 JHBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852383 720855434 /nfs/dbraw/zinc/85/54/34/720855434.db2.gz COQMLMCIAGZNNS-BTYIYWSLSA-N 1 0 480.924 3.748 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753481 720871924 /nfs/dbraw/zinc/87/19/24/720871924.db2.gz PNUPDJXBYOZQAP-WMZHIEFXSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750676 720880905 /nfs/dbraw/zinc/88/09/05/720880905.db2.gz JNDOYJYFVMISHU-JTSKRJEESA-N 1 0 493.395 3.842 20 5 JHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756610 720886124 /nfs/dbraw/zinc/88/61/24/720886124.db2.gz QXWWHVHCBRGNBA-RLWLMLJZSA-N 1 0 474.565 3.688 20 5 JHBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164861552 720890678 /nfs/dbraw/zinc/89/06/78/720890678.db2.gz PTQISFQOLWNYQZ-HFZDXXHNSA-N 1 0 492.576 3.896 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963862 722054314 /nfs/dbraw/zinc/05/43/14/722054314.db2.gz ORUWGLNYBCPOPR-UHFFFAOYSA-N 1 0 452.342 3.811 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977072 722142743 /nfs/dbraw/zinc/14/27/43/722142743.db2.gz ILVQTCDJLUVMFM-JTSKRJEESA-N 1 0 453.930 3.919 20 5 JHBDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)CC1 ZINC001311651365 1069489182 /nfs/dbraw/zinc/48/91/82/1069489182.db2.gz BZGTXZCPYKLPDE-DEOSSOPVSA-N 1 0 451.571 3.900 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307033201 1069747718 /nfs/dbraw/zinc/74/77/18/1069747718.db2.gz JOTMMKXYRGEFOJ-FQEVSTJZSA-N 1 0 497.644 3.668 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(OC)CC2)C1 ZINC001307033763 1069748134 /nfs/dbraw/zinc/74/81/34/1069748134.db2.gz MEOXZHYYNPCNJB-NTKDMRAZSA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037947 1069759922 /nfs/dbraw/zinc/75/99/22/1069759922.db2.gz XXDLNFBEUDJHPF-VQTJNVASSA-N 1 0 455.607 3.758 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001307040263 1069766586 /nfs/dbraw/zinc/76/65/86/1069766586.db2.gz KPKFQAJTTLEHCP-GOSISDBHSA-N 1 0 469.615 3.910 20 5 JHBDRO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001307062660 1069860045 /nfs/dbraw/zinc/86/00/45/1069860045.db2.gz SJTVYMLAQPFBNT-UHFFFAOYSA-N 1 0 497.644 3.957 20 5 JHBDRO CC1CCC(NS(=O)(=O)c2ccc(NC3CC[NH+](C4CCC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC001307119827 1069895792 /nfs/dbraw/zinc/89/57/92/1069895792.db2.gz JNDCOWOFQGJJRU-UHFFFAOYSA-N 1 0 450.605 3.881 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307516760 1070030058 /nfs/dbraw/zinc/03/00/58/1070030058.db2.gz KMWNBIILBVCYIW-GOSISDBHSA-N 1 0 451.308 3.906 20 5 JHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001307844722 1070209631 /nfs/dbraw/zinc/20/96/31/1070209631.db2.gz SBHRDAOSKJEGKT-IMSXRSKXSA-N 1 0 458.518 3.784 20 5 JHBDRO Cc1cccc(-c2noc(CC3CCN([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)n1 ZINC001308078327 1070305529 /nfs/dbraw/zinc/30/55/29/1070305529.db2.gz TZBSBLNWBMNUEX-MRXNPFEDSA-N 1 0 450.499 3.630 20 5 JHBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001308109493 1070316024 /nfs/dbraw/zinc/31/60/24/1070316024.db2.gz AJZLKTWGAUBXBD-UHFFFAOYSA-N 1 0 458.353 3.863 20 5 JHBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)cc1 ZINC001308366163 1070361655 /nfs/dbraw/zinc/36/16/55/1070361655.db2.gz VGCJCNQTBUCFAP-UHFFFAOYSA-N 1 0 456.293 3.541 20 5 JHBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434482 1070375388 /nfs/dbraw/zinc/37/53/88/1070375388.db2.gz XCPGRGQSFVOFKB-WMZHIEFXSA-N 1 0 452.511 3.926 20 5 JHBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308462981 1070378734 /nfs/dbraw/zinc/37/87/34/1070378734.db2.gz ZYPKLYVIWLBDHP-UHFFFAOYSA-N 1 0 454.552 3.752 20 5 JHBDRO C/C(=C\c1ccccc1C(F)(F)F)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001308746827 1070429195 /nfs/dbraw/zinc/42/91/95/1070429195.db2.gz JPPLHLNATTVFDO-SDNWHVSQSA-N 1 0 457.474 3.886 20 5 JHBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246666 1070641743 /nfs/dbraw/zinc/64/17/43/1070641743.db2.gz MGQXPEWUQDDQAV-INIZCTEOSA-N 1 0 455.939 3.920 20 5 JHBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001309260288 1070652473 /nfs/dbraw/zinc/65/24/73/1070652473.db2.gz CNADHBCAKPRBLS-WMLDXEAASA-N 1 0 457.474 3.945 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650291 1070758045 /nfs/dbraw/zinc/75/80/45/1070758045.db2.gz ZMKAHSKCHLHLFR-TZIWHRDSSA-N 1 0 499.616 3.687 20 5 JHBDRO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001309756318 1070955889 /nfs/dbraw/zinc/95/58/89/1070955889.db2.gz DWXRVZZLCCSQNZ-LJQANCHMSA-N 1 0 454.552 3.866 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001313714623 1071012799 /nfs/dbraw/zinc/01/27/99/1071012799.db2.gz MBKPHNPUVOUWPI-UHFFFAOYSA-N 1 0 470.553 3.762 20 5 JHBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001309914993 1071015785 /nfs/dbraw/zinc/01/57/85/1071015785.db2.gz HZSYNGHRLASHKC-LOSJGSFVSA-N 1 0 465.575 3.725 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001313722907 1071027862 /nfs/dbraw/zinc/02/78/62/1071027862.db2.gz IAZAKSFKUVIYJU-QGZVFWFLSA-N 1 0 498.657 3.984 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313722868 1071027866 /nfs/dbraw/zinc/02/78/66/1071027866.db2.gz GJHKZMULJXTDIF-MJGOQNOKSA-N 1 0 487.605 3.687 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001313722913 1071027889 /nfs/dbraw/zinc/02/78/89/1071027889.db2.gz IDVOIQFUQFICPD-GCJKJVERSA-N 1 0 456.591 3.979 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314829736 1071159633 /nfs/dbraw/zinc/15/96/33/1071159633.db2.gz KBTQACTYQNFPNO-UHFFFAOYSA-N 1 0 451.575 3.982 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314834226 1071172871 /nfs/dbraw/zinc/17/28/71/1071172871.db2.gz RZMQCPHXUVTLJT-UHFFFAOYSA-N 1 0 497.669 3.544 20 5 JHBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859335 1071363781 /nfs/dbraw/zinc/36/37/81/1071363781.db2.gz FZZXEXDISZAMBM-IAGOWNOFSA-N 1 0 455.588 3.862 20 5 JHBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001313877487 1071442465 /nfs/dbraw/zinc/44/24/65/1071442465.db2.gz UOYYRTSBGHFAGY-UHFFFAOYSA-N 1 0 497.644 3.859 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933164 1071596910 /nfs/dbraw/zinc/59/69/10/1071596910.db2.gz YEEDITZXJJJOJD-HXUWFJFHSA-N 1 0 483.661 3.970 20 5 JHBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313949482 1071636451 /nfs/dbraw/zinc/63/64/51/1071636451.db2.gz IVVRVSOPFUAFLM-QUCCMNQESA-N 1 0 491.587 3.608 20 5 JHBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313949479 1071636483 /nfs/dbraw/zinc/63/64/83/1071636483.db2.gz IVVRVSOPFUAFLM-AZUAARDMSA-N 1 0 491.587 3.608 20 5 JHBDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001314014980 1071756367 /nfs/dbraw/zinc/75/63/67/1071756367.db2.gz ZBUWAHPMFBYHOE-QFIPXVFZSA-N 1 0 499.616 3.785 20 5 JHBDRO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001306028349 1068425170 /nfs/dbraw/zinc/42/51/70/1068425170.db2.gz AXGILURTUULMQS-OAQYLSRUSA-N 1 0 499.641 3.865 20 5 JHBDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306043485 1068461389 /nfs/dbraw/zinc/46/13/89/1068461389.db2.gz QTCVZRDYIYYHPP-ZWKOTPCHSA-N 1 0 480.617 3.679 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325401 1068762501 /nfs/dbraw/zinc/76/25/01/1068762501.db2.gz XTXJFGWEHAADJA-SFTDATJTSA-N 1 0 456.591 3.634 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1N1CCOCC1 ZINC001306407457 1068882042 /nfs/dbraw/zinc/88/20/42/1068882042.db2.gz ZLKLIXPOXVBNEQ-URXFXBBRSA-N 1 0 499.660 3.519 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1N1CCOCC1 ZINC001306407459 1068882831 /nfs/dbraw/zinc/88/28/31/1068882831.db2.gz ZLKLIXPOXVBNEQ-ZJSXRUAMSA-N 1 0 499.660 3.519 20 5 JHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001310659529 1069093066 /nfs/dbraw/zinc/09/30/66/1069093066.db2.gz DLKVBCAOOXECAV-CJNGLKHVSA-N 1 0 457.369 3.924 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NOCc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001311242554 1069306059 /nfs/dbraw/zinc/30/60/59/1069306059.db2.gz AUHDITJEXSBUCC-UHFFFAOYSA-N 1 0 453.421 3.619 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164828865 720354078 /nfs/dbraw/zinc/35/40/78/720354078.db2.gz QJAUWUKHEVTWFI-RTWAWAEBSA-N 1 0 467.545 3.707 20 5 JHBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164734496 720461484 /nfs/dbraw/zinc/46/14/84/720461484.db2.gz SXDSRUQEAGIXOZ-MOPGFXCFSA-N 1 0 490.593 3.709 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838421 720521910 /nfs/dbraw/zinc/52/19/10/720521910.db2.gz QVEZPYULPJZRQI-OWCLPIDISA-N 1 0 454.909 3.762 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1[N+](=O)[O-] ZINC001164735670 720525196 /nfs/dbraw/zinc/52/51/96/720525196.db2.gz ZYMZAUQMZGOPQB-MRXNPFEDSA-N 1 0 463.567 3.969 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737483 720765505 /nfs/dbraw/zinc/76/55/05/720765505.db2.gz BVYARYLPVLNBQO-QZTJIDSGSA-N 1 0 489.561 3.707 20 5 JHBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852388 720855136 /nfs/dbraw/zinc/85/51/36/720855136.db2.gz COQMLMCIAGZNNS-YCRPNKLZSA-N 1 0 480.924 3.748 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749329 720858348 /nfs/dbraw/zinc/85/83/48/720858348.db2.gz MZSBUHMFURYCHB-YPAWHYETSA-N 1 0 459.554 3.628 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750660 720880641 /nfs/dbraw/zinc/88/06/41/720880641.db2.gz JNDOYJYFVMISHU-HTAPYJJXSA-N 1 0 493.395 3.842 20 5 JHBDRO Cc1c(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753455 720894081 /nfs/dbraw/zinc/89/40/81/720894081.db2.gz GWRVMZMGRVXJKR-DHLKQENFSA-N 1 0 451.571 3.757 20 5 JHBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754493 720896673 /nfs/dbraw/zinc/89/66/73/720896673.db2.gz JCJZQYKRYYECLC-NLFFAJNJSA-N 1 0 462.554 3.621 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164779962 721348449 /nfs/dbraw/zinc/34/84/49/721348449.db2.gz XESXRFMXGZSLBA-DEOSSOPVSA-N 1 0 451.527 3.867 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889107 721450825 /nfs/dbraw/zinc/45/08/25/721450825.db2.gz NMPZPTPFGUWAAC-WZONZLPQSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164791187 721468358 /nfs/dbraw/zinc/46/83/58/721468358.db2.gz VCZZPXDDGNFJKX-FQEVSTJZSA-N 1 0 462.591 3.511 20 5 JHBDRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808864 721582441 /nfs/dbraw/zinc/58/24/41/721582441.db2.gz QZCHDAWSZRLCMD-GPXNEJASSA-N 1 0 460.538 3.623 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025921 721802807 /nfs/dbraw/zinc/80/28/07/721802807.db2.gz PVOQJWWMDQYCJM-ZYSHUDEJSA-N 1 0 473.961 3.952 20 5 JHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964640 722055287 /nfs/dbraw/zinc/05/52/87/722055287.db2.gz WHXLOICWXCIPAW-UHFFFAOYSA-N 1 0 452.342 3.811 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977071 722142573 /nfs/dbraw/zinc/14/25/73/722142573.db2.gz ILVQTCDJLUVMFM-HTAPYJJXSA-N 1 0 453.930 3.919 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982139 722150847 /nfs/dbraw/zinc/15/08/47/722150847.db2.gz RDWRKROPWWLBOG-CVDCTZTESA-N 1 0 480.956 3.828 20 5 JHBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001311424441 1069372754 /nfs/dbraw/zinc/37/27/54/1069372754.db2.gz SSTVCWLONGMVFI-QFIPXVFZSA-N 1 0 451.571 3.696 20 5 JHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001306985828 1069694335 /nfs/dbraw/zinc/69/43/35/1069694335.db2.gz IFALAQHPBIUCHC-LJQANCHMSA-N 1 0 452.964 3.748 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001307032272 1069743954 /nfs/dbraw/zinc/74/39/54/1069743954.db2.gz BQHVERYPCPMSQS-IBGZPJMESA-N 1 0 482.507 3.743 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCOCC2)CC1 ZINC001307045809 1069783244 /nfs/dbraw/zinc/78/32/44/1069783244.db2.gz OXAHPVSWMVVPPA-UHFFFAOYSA-N 1 0 456.591 3.981 20 5 JHBDRO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1=O ZINC001307061942 1069856872 /nfs/dbraw/zinc/85/68/72/1069856872.db2.gz OTJWXGIFRNSRIJ-FQEVSTJZSA-N 1 0 483.617 3.567 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001307063742 1069863506 /nfs/dbraw/zinc/86/35/06/1069863506.db2.gz WIYPDHIHKHNPCH-IBGZPJMESA-N 1 0 450.547 3.544 20 5 JHBDRO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC001307128905 1069897721 /nfs/dbraw/zinc/89/77/21/1069897721.db2.gz HZEAFJLLNWDGJN-UHFFFAOYSA-N 1 0 452.621 3.716 20 5 JHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC001307555456 1070050624 /nfs/dbraw/zinc/05/06/24/1070050624.db2.gz BREZGGLFMPIUJV-GOSISDBHSA-N 1 0 450.495 3.872 20 5 JHBDRO COc1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308263365 1070347857 /nfs/dbraw/zinc/34/78/57/1070347857.db2.gz ASFCZZIONVTOAC-OAHLLOKOSA-N 1 0 453.417 3.719 20 5 JHBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362703 1070361927 /nfs/dbraw/zinc/36/19/27/1070361927.db2.gz DSTYDPIYJXQJIA-KUHUBIRLSA-N 1 0 451.308 3.810 20 5 JHBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308394566 1070367797 /nfs/dbraw/zinc/36/77/97/1070367797.db2.gz BOOVRFZGXLBJKM-KUHUBIRLSA-N 1 0 454.308 3.919 20 5 JHBDRO CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001314600811 1070650761 /nfs/dbraw/zinc/65/07/61/1070650761.db2.gz QAHFGSUWCRQPBB-QFIPXVFZSA-N 1 0 488.658 3.812 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650287 1070758222 /nfs/dbraw/zinc/75/82/22/1070758222.db2.gz ZMKAHSKCHLHLFR-FPOVZHCZSA-N 1 0 499.616 3.687 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001309728696 1070941840 /nfs/dbraw/zinc/94/18/40/1070941840.db2.gz KJMVHGNORBECBW-UHFFFAOYSA-N 1 0 455.939 3.968 20 5 JHBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)C1 ZINC001313702092 1070982757 /nfs/dbraw/zinc/98/27/57/1070982757.db2.gz MQMKAOPHGUXLAV-FXAWDEMLSA-N 1 0 476.672 3.870 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CC=CCC1 ZINC001314749876 1071000847 /nfs/dbraw/zinc/00/08/47/1071000847.db2.gz QFHFIMDONFHDKV-UHFFFAOYSA-N 1 0 486.374 3.842 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc(C)no2)CC1)C(C)C ZINC001313805681 1071221293 /nfs/dbraw/zinc/22/12/93/1071221293.db2.gz NPBJLWGVEWXFFR-UHFFFAOYSA-N 1 0 468.562 3.659 20 5 JHBDRO CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314858615 1071244967 /nfs/dbraw/zinc/24/49/67/1071244967.db2.gz LEXQSNDCGLKMNW-OAQYLSRUSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933161 1071597278 /nfs/dbraw/zinc/59/72/78/1071597278.db2.gz YEEDITZXJJJOJD-FQEVSTJZSA-N 1 0 483.661 3.970 20 5 JHBDRO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[N@@H+](CC)C2)s1 ZINC001305995101 1068357368 /nfs/dbraw/zinc/35/73/68/1068357368.db2.gz HYBFRYHDQHLMOZ-INIZCTEOSA-N 1 0 455.588 3.850 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306318693 1068742796 /nfs/dbraw/zinc/74/27/96/1068742796.db2.gz PGTMFESBNJTWQO-HXUWFJFHSA-N 1 0 455.607 3.901 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001306321868 1068752328 /nfs/dbraw/zinc/75/23/28/1068752328.db2.gz FBVMTKYJDKUZKQ-JOCHJYFZSA-N 1 0 480.617 3.949 20 5 JHBDRO COC(=O)c1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC001310681311 1069106509 /nfs/dbraw/zinc/10/65/09/1069106509.db2.gz RURRHORCDKKTJI-UHFFFAOYSA-N 1 0 450.561 3.563 20 5 JHBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC[N@@H+](C2CCC2)C1 ZINC001310711813 1069127406 /nfs/dbraw/zinc/12/74/06/1069127406.db2.gz SMTOPCSRMWEGQM-LBPRGKRZSA-N 1 0 458.300 3.538 20 5 JHBDRO CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001306525459 1069152193 /nfs/dbraw/zinc/15/21/93/1069152193.db2.gz CGCFDZUSAMFTLM-XMMPIXPASA-N 1 0 456.591 3.859 20 5 JHBDRO CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306526479 1069155891 /nfs/dbraw/zinc/15/58/91/1069155891.db2.gz HWIINLJTTQITFJ-XMMPIXPASA-N 1 0 458.607 3.963 20 5 JHBDRO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CC[N@@H+]1CCOC ZINC001306616191 1069297721 /nfs/dbraw/zinc/29/77/21/1069297721.db2.gz FMXXUSZEQOLFQH-NQIIRXRSSA-N 1 0 474.631 3.544 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC001164680043 719664663 /nfs/dbraw/zinc/66/46/63/719664663.db2.gz CWQKFBXSVWFFBN-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])CC2 ZINC001164683533 719720904 /nfs/dbraw/zinc/72/09/04/719720904.db2.gz AKRMRSMRSFKDIZ-UHFFFAOYSA-N 1 0 477.924 3.755 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001164822302 720353908 /nfs/dbraw/zinc/35/39/08/720353908.db2.gz DFJJSVMRZHNJSS-RTBURBONSA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001164822299 720354040 /nfs/dbraw/zinc/35/40/40/720354040.db2.gz DFJJSVMRZHNJSS-RBUKOAKNSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164841042 720649136 /nfs/dbraw/zinc/64/91/36/720649136.db2.gz OSPZKAIVFCIRCE-IEZWGBDMSA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752702 720898599 /nfs/dbraw/zinc/89/85/99/720898599.db2.gz FQIZDYFHJWZACF-NLFFAJNJSA-N 1 0 462.554 3.621 20 5 JHBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164752061 720930264 /nfs/dbraw/zinc/93/02/64/720930264.db2.gz NALKBMCJULMNMX-HFZDXXHNSA-N 1 0 474.565 3.688 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164789466 721455084 /nfs/dbraw/zinc/45/50/84/721455084.db2.gz WNUWMRPWIULFNB-IBGZPJMESA-N 1 0 490.004 3.925 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164786383 721455682 /nfs/dbraw/zinc/45/56/82/721455682.db2.gz MGZOBQWCDIQQKM-GOSISDBHSA-N 1 0 452.983 3.686 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164790111 721466893 /nfs/dbraw/zinc/46/68/93/721466893.db2.gz QZZDYBJYWIHNEL-HSZRJFAPSA-N 1 0 481.597 3.786 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908564 721554564 /nfs/dbraw/zinc/55/45/64/721554564.db2.gz QIQTWOZVRDENOH-WCQYABFASA-N 1 0 461.803 3.538 20 5 JHBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936257 721889427 /nfs/dbraw/zinc/88/94/27/721889427.db2.gz YWEMUWPIZXZBIF-DHIUTWEWSA-N 1 0 461.566 3.937 20 5 JHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(/C=C\N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939029 721930389 /nfs/dbraw/zinc/93/03/89/721930389.db2.gz HKOGPECFXQJFEA-FLIBITNWSA-N 1 0 451.571 3.702 20 5 JHBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1C ZINC001165043978 721960465 /nfs/dbraw/zinc/96/04/65/721960465.db2.gz BEFLALFNCYCPCM-UHFFFAOYSA-N 1 0 493.593 3.662 20 5 JHBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001311547989 1069433498 /nfs/dbraw/zinc/43/34/98/1069433498.db2.gz IMBFJWGRGPSJGO-KRWDZBQOSA-N 1 0 451.449 3.599 20 5 JHBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001306779006 1069575093 /nfs/dbraw/zinc/57/50/93/1069575093.db2.gz CVXLAQFZSNPYRC-DFBJGRDBSA-N 1 0 470.618 3.963 20 5 JHBDRO Cn1c(=O)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(Br)cc2)c2ccccc21 ZINC001306994301 1069695520 /nfs/dbraw/zinc/69/55/20/1069695520.db2.gz YVQXLPZCSHOAGZ-UHFFFAOYSA-N 1 0 459.344 3.777 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001307054954 1069818638 /nfs/dbraw/zinc/81/86/38/1069818638.db2.gz MLRBBIPVIAQWNI-OALUTQOASA-N 1 0 482.507 3.885 20 5 JHBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC001307555459 1070050516 /nfs/dbraw/zinc/05/05/16/1070050516.db2.gz BREZGGLFMPIUJV-SFHVURJKSA-N 1 0 450.495 3.872 20 5 JHBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC001307576689 1070061590 /nfs/dbraw/zinc/06/15/90/1070061590.db2.gz OCANYOZOGURLTQ-AFOWIFMISA-N 1 0 456.587 3.668 20 5 JHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC001307631860 1070091346 /nfs/dbraw/zinc/09/13/46/1070091346.db2.gz NNPOWNVQIFEHSS-UTKZUKDTSA-N 1 0 454.527 3.664 20 5 JHBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001312826216 1070144804 /nfs/dbraw/zinc/14/48/04/1070144804.db2.gz ZJJZZVBPWCIAEY-JOCHJYFZSA-N 1 0 451.571 3.729 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307749350 1070164739 /nfs/dbraw/zinc/16/47/39/1070164739.db2.gz NHUDWZZADFCFCD-MRXNPFEDSA-N 1 0 450.536 3.701 20 5 JHBDRO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872203 1070218063 /nfs/dbraw/zinc/21/80/63/1070218063.db2.gz OGPCATOHBGHUBA-INIZCTEOSA-N 1 0 456.362 3.719 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001308031804 1070287638 /nfs/dbraw/zinc/28/76/38/1070287638.db2.gz RMHSUMQWKZNRPJ-CPJSRVTESA-N 1 0 452.555 3.597 20 5 JHBDRO CCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314432369 1070317025 /nfs/dbraw/zinc/31/70/25/1070317025.db2.gz CHCYCTWXEKLNIO-VQTJNVASSA-N 1 0 456.591 3.981 20 5 JHBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308119143 1070320543 /nfs/dbraw/zinc/32/05/43/1070320543.db2.gz YQPYKOMFTNANEK-GOSISDBHSA-N 1 0 456.724 3.533 20 5 JHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCN(CCN4CCOCC4)C3)cc2[N+](=O)[O-])cc1 ZINC001308261936 1070347538 /nfs/dbraw/zinc/34/75/38/1070347538.db2.gz OWKHNVDVQHAGEL-OAQYLSRUSA-N 1 0 456.612 3.551 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+]CCCc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC001308263682 1070347761 /nfs/dbraw/zinc/34/77/61/1070347761.db2.gz GLMOZAOTBDPYIT-UHFFFAOYSA-N 1 0 455.280 3.771 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC001308307364 1070354249 /nfs/dbraw/zinc/35/42/49/1070354249.db2.gz YVRGHPYEPKWGQS-GFCCVEGCSA-N 1 0 455.280 3.769 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313447513 1070367796 /nfs/dbraw/zinc/36/77/96/1070367796.db2.gz KJZPOXKKJSHXLP-VXKWHMMOSA-N 1 0 456.591 3.979 20 5 JHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC001308684960 1070418499 /nfs/dbraw/zinc/41/84/99/1070418499.db2.gz HFLAEISBTUBXOH-GJZGRUSLSA-N 1 0 450.333 3.515 20 5 JHBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001309053330 1070510290 /nfs/dbraw/zinc/51/02/90/1070510290.db2.gz MWLQBPNEPJKGQH-UHFFFAOYSA-N 1 0 450.399 3.654 20 5 JHBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246668 1070641712 /nfs/dbraw/zinc/64/17/12/1070641712.db2.gz MGQXPEWUQDDQAV-MRXNPFEDSA-N 1 0 455.939 3.920 20 5 JHBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001309260286 1070652324 /nfs/dbraw/zinc/65/23/24/1070652324.db2.gz CNADHBCAKPRBLS-PBHICJAKSA-N 1 0 457.474 3.945 20 5 JHBDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC001309403635 1070749486 /nfs/dbraw/zinc/74/94/86/1070749486.db2.gz WZPVTIPDHYZTTD-SCLBCKFNSA-N 1 0 456.362 3.635 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001313656355 1070850131 /nfs/dbraw/zinc/85/01/31/1070850131.db2.gz BEIUUTQMNLMUPW-UWJYYQICSA-N 1 0 452.563 3.659 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001313711473 1071006180 /nfs/dbraw/zinc/00/61/80/1071006180.db2.gz DMBXCNTWFSRQGQ-NRFANRHFSA-N 1 0 456.591 3.838 20 5 JHBDRO CCN(C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313789593 1071180517 /nfs/dbraw/zinc/18/05/17/1071180517.db2.gz YWKZYZZDTQLDMB-IAGOWNOFSA-N 1 0 483.539 3.514 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCC1 ZINC001314835003 1071175146 /nfs/dbraw/zinc/17/51/46/1071175146.db2.gz YHQDKRJHNQRCSK-UHFFFAOYSA-N 1 0 463.586 3.725 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1)CCC(F)(F)F ZINC001313804607 1071215943 /nfs/dbraw/zinc/21/59/43/1071215943.db2.gz CNEAAKIRLGBSEU-UHFFFAOYSA-N 1 0 498.506 3.517 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC001313806780 1071225864 /nfs/dbraw/zinc/22/58/64/1071225864.db2.gz YCNDCJQZWUHXOM-SFHVURJKSA-N 1 0 499.616 3.783 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934004 1071600482 /nfs/dbraw/zinc/60/04/82/1071600482.db2.gz RBKCTTZLAUWRAD-ROUUACIJSA-N 1 0 487.605 3.545 20 5 JHBDRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N4)cc2)CC1 ZINC000211117138 569876140 /nfs/dbraw/zinc/87/61/40/569876140.db2.gz PKCHFYZACODWAI-STZFKDTASA-N 1 0 489.561 3.966 20 5 JHBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)c1 ZINC001164415575 718886008 /nfs/dbraw/zinc/88/60/08/718886008.db2.gz LJAKEMGSJXXAOY-UHFFFAOYSA-N 1 0 475.887 3.546 20 5 JHBDRO Cc1c(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164680058 719671380 /nfs/dbraw/zinc/67/13/80/719671380.db2.gz BCBWBSPAEXHUBM-HXUWFJFHSA-N 1 0 465.598 3.700 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164718037 720121152 /nfs/dbraw/zinc/12/11/52/720121152.db2.gz QOUMJYDEMVBNDL-MRXNPFEDSA-N 1 0 479.006 3.663 20 5 JHBDRO CCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164831607 720344752 /nfs/dbraw/zinc/34/47/52/720344752.db2.gz YYTXZLORFMWEGJ-PKTZIBPZSA-N 1 0 478.597 3.526 20 5 JHBDRO COc1cc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1[N+](=O)[O-] ZINC001164843369 720691731 /nfs/dbraw/zinc/69/17/31/720691731.db2.gz OVYYKTVBUWKPJF-LJQANCHMSA-N 1 0 463.538 3.807 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740138 720698247 /nfs/dbraw/zinc/69/82/47/720698247.db2.gz QHSQVIRUQOZKDV-GDBMZVCRSA-N 1 0 486.891 3.707 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744816 720854884 /nfs/dbraw/zinc/85/48/84/720854884.db2.gz CKFOMFUWJUZZHL-XQBPLPMBSA-N 1 0 494.987 3.676 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755467 720871727 /nfs/dbraw/zinc/87/17/27/720871727.db2.gz XJZXILJPDWNYBF-XXBNENTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752688 720898651 /nfs/dbraw/zinc/89/86/51/720898651.db2.gz FQIZDYFHJWZACF-CJFMBICVSA-N 1 0 462.554 3.621 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164779737 721345128 /nfs/dbraw/zinc/34/51/28/721345128.db2.gz VEJMPADMFJPLLS-DEOSSOPVSA-N 1 0 451.527 3.867 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164791190 721468473 /nfs/dbraw/zinc/46/84/73/721468473.db2.gz VCZZPXDDGNFJKX-HXUWFJFHSA-N 1 0 462.591 3.511 20 5 JHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939624 721922095 /nfs/dbraw/zinc/92/20/95/721922095.db2.gz VVUVZKFRUWVCMU-UHFFFAOYSA-N 1 0 463.991 3.940 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961564 722060115 /nfs/dbraw/zinc/06/01/15/722060115.db2.gz LZVJRNOQZMHHIH-UHFFFAOYSA-N 1 0 486.882 3.571 20 5 JHBDRO CCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978038 722147305 /nfs/dbraw/zinc/14/73/05/722147305.db2.gz JIJHOWQTVIOVMP-ZJSXRUAMSA-N 1 0 474.565 3.737 20 5 JHBDRO COc1ccccc1[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCC1 ZINC001311621342 1069472248 /nfs/dbraw/zinc/47/22/48/1069472248.db2.gz AZGBMXFZNGIBNH-QFIPXVFZSA-N 1 0 454.527 3.603 20 5 JHBDRO CC(C)(NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001311629920 1069478863 /nfs/dbraw/zinc/47/88/63/1069478863.db2.gz JADXOQDJYASPGW-UHFFFAOYSA-N 1 0 453.587 3.727 20 5 JHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686794 1069503333 /nfs/dbraw/zinc/50/33/33/1069503333.db2.gz ALRPAZZBICUDNV-HOTGVXAUSA-N 1 0 457.497 3.566 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnc(C)s2)C1 ZINC001307033812 1069748890 /nfs/dbraw/zinc/74/88/90/1069748890.db2.gz MQQCZQLVKLHYLB-KRWDZBQOSA-N 1 0 455.588 3.987 20 5 JHBDRO CCCN(CC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001307117003 1069895150 /nfs/dbraw/zinc/89/51/50/1069895150.db2.gz QSFTXPYTEHIBDV-UHFFFAOYSA-N 1 0 452.621 3.862 20 5 JHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001307603699 1070077616 /nfs/dbraw/zinc/07/76/16/1070077616.db2.gz QXPWXBMNRKFRSP-QHCPKHFHSA-N 1 0 454.571 3.873 20 5 JHBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307669597 1070113766 /nfs/dbraw/zinc/11/37/66/1070113766.db2.gz XYNBIUMYBULGJR-QFIPXVFZSA-N 1 0 450.564 3.879 20 5 JHBDRO CCOCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001314349273 1070162769 /nfs/dbraw/zinc/16/27/69/1070162769.db2.gz NZZSATKREHANMV-UHFFFAOYSA-N 1 0 472.590 3.647 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001307759689 1070170916 /nfs/dbraw/zinc/17/09/16/1070170916.db2.gz NXKSRXRFRHOOQA-NRFANRHFSA-N 1 0 452.555 3.835 20 5 JHBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001307760122 1070171819 /nfs/dbraw/zinc/17/18/19/1070171819.db2.gz DCARTNQJEFTRIM-NRFANRHFSA-N 1 0 459.388 3.749 20 5 JHBDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC001307827437 1070202425 /nfs/dbraw/zinc/20/24/25/1070202425.db2.gz QFJRCPCCDSQGMI-UHFFFAOYSA-N 1 0 458.559 3.597 20 5 JHBDRO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001308066607 1070300002 /nfs/dbraw/zinc/30/00/02/1070300002.db2.gz CVWPHRSDMTXUSP-AWEZNQCLSA-N 1 0 452.433 3.740 20 5 JHBDRO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001309128127 1070553793 /nfs/dbraw/zinc/55/37/93/1070553793.db2.gz VXAYPCYPDDSTHA-UHFFFAOYSA-N 1 0 459.490 3.929 20 5 JHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247905 1070643115 /nfs/dbraw/zinc/64/31/15/1070643115.db2.gz CKVGNGWEFGMEFR-PBHICJAKSA-N 1 0 457.474 3.803 20 5 JHBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001309352136 1070716176 /nfs/dbraw/zinc/71/61/76/1070716176.db2.gz GDZIWERLLZOKLT-UHFFFAOYSA-N 1 0 452.964 3.879 20 5 JHBDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC001309403634 1070749721 /nfs/dbraw/zinc/74/97/21/1070749721.db2.gz WZPVTIPDHYZTTD-FZKQIMNGSA-N 1 0 456.362 3.635 20 5 JHBDRO C[NH+](C)[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)CCSC1 ZINC001314652232 1070763078 /nfs/dbraw/zinc/76/30/78/1070763078.db2.gz FTSZZWSLFDGQEG-NRFANRHFSA-N 1 0 462.645 3.622 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC001314656540 1070774652 /nfs/dbraw/zinc/77/46/52/1070774652.db2.gz PSNZMBGFCXLHNH-HXUWFJFHSA-N 1 0 498.657 3.861 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001314663418 1070791927 /nfs/dbraw/zinc/79/19/27/1070791927.db2.gz VISOIOAERINSEF-JOCHJYFZSA-N 1 0 498.550 3.971 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313656850 1070853326 /nfs/dbraw/zinc/85/33/26/1070853326.db2.gz GTUADJGRCRAGST-OAHLLOKOSA-N 1 0 460.970 3.607 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001313714816 1071013262 /nfs/dbraw/zinc/01/32/62/1071013262.db2.gz SOUZXWUMGCIFRI-UHFFFAOYSA-N 1 0 452.563 3.623 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001313725454 1071032554 /nfs/dbraw/zinc/03/25/54/1071032554.db2.gz JNLAEUALLFIQLM-LJQANCHMSA-N 1 0 455.607 3.901 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314831567 1071163660 /nfs/dbraw/zinc/16/36/60/1071163660.db2.gz GZWYPPZBHMLARD-UHFFFAOYSA-N 1 0 466.590 3.530 20 5 JHBDRO CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313789594 1071180708 /nfs/dbraw/zinc/18/07/08/1071180708.db2.gz YWKZYZZDTQLDMB-IRXDYDNUSA-N 1 0 483.539 3.514 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)C(C)C ZINC001313806826 1071225983 /nfs/dbraw/zinc/22/59/83/1071225983.db2.gz ZPQJVJAATULHSG-UHFFFAOYSA-N 1 0 497.644 3.955 20 5 JHBDRO CC[NH+]1CCC(CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001313883953 1071462889 /nfs/dbraw/zinc/46/28/89/1071462889.db2.gz XFDNLAXTLFCQKK-UHFFFAOYSA-N 1 0 463.586 3.931 20 5 JHBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313897144 1071501282 /nfs/dbraw/zinc/50/12/82/1071501282.db2.gz ULGVSKAUQLLAFP-QFIPXVFZSA-N 1 0 499.616 3.642 20 5 JHBDRO CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306196792 1068588666 /nfs/dbraw/zinc/58/86/66/1068588666.db2.gz JBGATNHNYPGJEL-NHCUHLMSSA-N 1 0 469.634 3.833 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306405293 1068872370 /nfs/dbraw/zinc/87/23/70/1068872370.db2.gz CQZWJANBFWUPJX-WOIUINJBSA-N 1 0 486.617 3.604 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306406166 1068875510 /nfs/dbraw/zinc/87/55/10/1068875510.db2.gz KIRUNZAJOYRGJF-IBGZPJMESA-N 1 0 485.614 3.522 20 5 JHBDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306499613 1069055946 /nfs/dbraw/zinc/05/59/46/1069055946.db2.gz ONICASMNLQUDGN-RBBKRZOGSA-N 1 0 497.644 3.859 20 5 JHBDRO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306618463 1069301527 /nfs/dbraw/zinc/30/15/27/1069301527.db2.gz SFXWYPALKOXHCW-HXUWFJFHSA-N 1 0 478.544 3.836 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC2)c2ccccc21 ZINC001164681017 719659652 /nfs/dbraw/zinc/65/96/52/719659652.db2.gz LLBVQIBDCDVETN-LJQANCHMSA-N 1 0 488.592 3.631 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)c2ccccc21 ZINC001164686848 719665850 /nfs/dbraw/zinc/66/58/50/719665850.db2.gz XVSJBVUCPFWKEV-IBGZPJMESA-N 1 0 488.592 3.631 20 5 JHBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164698299 719897616 /nfs/dbraw/zinc/89/76/16/719897616.db2.gz RDJMTVPSGYISPQ-UHFFFAOYSA-N 1 0 451.552 3.985 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164718036 720122090 /nfs/dbraw/zinc/12/20/90/720122090.db2.gz QOUMJYDEMVBNDL-INIZCTEOSA-N 1 0 479.006 3.663 20 5 JHBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001164816746 720242837 /nfs/dbraw/zinc/24/28/37/720242837.db2.gz LWQBGASLNBCEBG-UHFFFAOYSA-N 1 0 483.960 3.512 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836009 720527575 /nfs/dbraw/zinc/52/75/75/720527575.db2.gz LMXJMESHQIUAIV-UWWQBHOKSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836008 720528112 /nfs/dbraw/zinc/52/81/12/720528112.db2.gz LMXJMESHQIUAIV-QILLFSRXSA-N 1 0 454.909 3.762 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747512 720848432 /nfs/dbraw/zinc/84/84/32/720848432.db2.gz RAWSRVBSDMWMPA-PLMTUMEDSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746007 720859353 /nfs/dbraw/zinc/85/93/53/720859353.db2.gz FEGCQFMHSGEXQS-CMKODMSKSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164748425 720878837 /nfs/dbraw/zinc/87/88/37/720878837.db2.gz DTDHBLOVRGWZHZ-QFQXNSOFSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164758174 720886118 /nfs/dbraw/zinc/88/61/18/720886118.db2.gz XJXYTZDWUXHNJZ-RLWLMLJZSA-N 1 0 474.565 3.688 20 5 JHBDRO CC(C)Oc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746505 720919284 /nfs/dbraw/zinc/91/92/84/720919284.db2.gz BCPCRYWXRFOZLY-GJZUVCINSA-N 1 0 481.597 3.927 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164790570 721457438 /nfs/dbraw/zinc/45/74/38/721457438.db2.gz ZJXGBCFCAZTICO-QFIPXVFZSA-N 1 0 454.571 3.877 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164783482 721458264 /nfs/dbraw/zinc/45/82/64/721458264.db2.gz DGKOSYNTUOZSKX-FQEVSTJZSA-N 1 0 454.571 3.877 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164787505 721474172 /nfs/dbraw/zinc/47/41/72/721474172.db2.gz GGCHUVYIOSMZGK-LJQANCHMSA-N 1 0 490.004 3.925 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963087 722054571 /nfs/dbraw/zinc/05/45/71/722054571.db2.gz HBGXOGAPULOOGS-UHFFFAOYSA-N 1 0 468.945 3.705 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)ccc1F ZINC001164963477 722061182 /nfs/dbraw/zinc/06/11/82/722061182.db2.gz ZSDSORLWIUTENL-UHFFFAOYSA-N 1 0 478.528 3.705 20 5 JHBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001306801766 1069606961 /nfs/dbraw/zinc/60/69/61/1069606961.db2.gz ABNOOJXRQJJPHD-UHFFFAOYSA-N 1 0 483.617 3.567 20 5 JHBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306802726 1069610300 /nfs/dbraw/zinc/61/03/00/1069610300.db2.gz OVZMCLSSVNZPBS-QFIPXVFZSA-N 1 0 481.605 3.635 20 5 JHBDRO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306804553 1069614363 /nfs/dbraw/zinc/61/43/63/1069614363.db2.gz KJBBVEATUCAHHJ-UHFFFAOYSA-N 1 0 478.601 3.615 20 5 JHBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001312057800 1069697540 /nfs/dbraw/zinc/69/75/40/1069697540.db2.gz HONNFYZUVVZDJW-UHFFFAOYSA-N 1 0 455.559 3.631 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001307046092 1069783826 /nfs/dbraw/zinc/78/38/26/1069783826.db2.gz RBHOZSQUNNVMCR-UHFFFAOYSA-N 1 0 492.584 3.566 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046997 1069787572 /nfs/dbraw/zinc/78/75/72/1069787572.db2.gz PRMPKQONTQSRPK-LJQANCHMSA-N 1 0 455.607 3.542 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307706399 1070136816 /nfs/dbraw/zinc/13/68/16/1070136816.db2.gz LYEWTULOYNVFID-DOTOQJQBSA-N 1 0 450.536 3.605 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307706402 1070136874 /nfs/dbraw/zinc/13/68/74/1070136874.db2.gz LYEWTULOYNVFID-NVXWUHKLSA-N 1 0 450.536 3.605 20 5 JHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)cc2)C[C@H](C)O1 ZINC001307884437 1070224176 /nfs/dbraw/zinc/22/41/76/1070224176.db2.gz GLLCVRQYYUKWHJ-HDICACEKSA-N 1 0 451.527 3.886 20 5 JHBDRO COc1ccc(-c2ccc(CNc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC001308325079 1070356637 /nfs/dbraw/zinc/35/66/37/1070356637.db2.gz TYEWXKMXMCAZTD-NRFANRHFSA-N 1 0 450.495 3.925 20 5 JHBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308394564 1070367815 /nfs/dbraw/zinc/36/78/15/1070367815.db2.gz BOOVRFZGXLBJKM-AUUYWEPGSA-N 1 0 454.308 3.919 20 5 JHBDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313468499 1070448034 /nfs/dbraw/zinc/44/80/34/1070448034.db2.gz LCNNXIWZSXUFGQ-UHFFFAOYSA-N 1 0 497.644 3.718 20 5 JHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001309283357 1070668274 /nfs/dbraw/zinc/66/82/74/1070668274.db2.gz PJLJCUMPFFMNFT-HZPDHXFCSA-N 1 0 451.976 3.992 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCOCC2)C1 ZINC001314662496 1070789917 /nfs/dbraw/zinc/78/99/17/1070789917.db2.gz FNVSJFBDPGHRQH-UHFFFAOYSA-N 1 0 474.631 3.544 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313657132 1070854431 /nfs/dbraw/zinc/85/44/31/1070854431.db2.gz JTRZGACUTJYHFP-WOJBJXKFSA-N 1 0 499.660 3.962 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001313711475 1071006631 /nfs/dbraw/zinc/00/66/31/1071006631.db2.gz DMBXCNTWFSRQGQ-OAQYLSRUSA-N 1 0 456.591 3.838 20 5 JHBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001313750479 1071082790 /nfs/dbraw/zinc/08/27/90/1071082790.db2.gz KNVBFLPWHQERJP-HXUWFJFHSA-N 1 0 464.530 3.509 20 5 JHBDRO CN(CC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314815353 1071121012 /nfs/dbraw/zinc/12/10/12/1071121012.db2.gz KLQFIHXGWUKCHS-NRFANRHFSA-N 1 0 456.591 3.837 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001313806280 1071223565 /nfs/dbraw/zinc/22/35/65/1071223565.db2.gz UAXUXSVGHPNZPI-UHFFFAOYSA-N 1 0 484.630 3.675 20 5 JHBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860403 1071368425 /nfs/dbraw/zinc/36/84/25/1071368425.db2.gz KKWNKDLGLMFMSY-RTBURBONSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860401 1071369029 /nfs/dbraw/zinc/36/90/29/1071369029.db2.gz KKWNKDLGLMFMSY-RBUKOAKNSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892327 1071486863 /nfs/dbraw/zinc/48/68/63/1071486863.db2.gz XWCXKMCVZUAQFV-UYAOXDASSA-N 1 0 499.616 3.689 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313907654 1071528685 /nfs/dbraw/zinc/52/86/85/1071528685.db2.gz JKWWCOSLAZGZSF-REWPJTCUSA-N 1 0 497.644 3.716 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910304 1071535251 /nfs/dbraw/zinc/53/52/51/1071535251.db2.gz FSQLSEKCMRSCOU-UNMCSNQZSA-N 1 0 456.591 3.980 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922526 1071565129 /nfs/dbraw/zinc/56/51/29/1071565129.db2.gz WXEWGZCFSTYQCB-OTWHNJEPSA-N 1 0 491.587 3.607 20 5 JHBDRO C[NH+]1CCN(c2ccc(CCNC(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)cc2)CC1 ZINC001305971706 1068306841 /nfs/dbraw/zinc/30/68/41/1068306841.db2.gz GMVPSMWWGRJYJV-UHFFFAOYSA-N 1 0 455.317 3.765 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001306406772 1068878587 /nfs/dbraw/zinc/87/85/87/1068878587.db2.gz OJWFSFHGHPVEHR-FQEVSTJZSA-N 1 0 470.599 3.819 20 5 JHBDRO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306618462 1069301639 /nfs/dbraw/zinc/30/16/39/1069301639.db2.gz SFXWYPALKOXHCW-FQEVSTJZSA-N 1 0 478.544 3.836 20 5 JHBDRO CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816798 720181240 /nfs/dbraw/zinc/18/12/40/720181240.db2.gz MUBWIJNBGGGPIQ-CJFMBICVSA-N 1 0 451.571 3.799 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001164820516 720313591 /nfs/dbraw/zinc/31/35/91/720313591.db2.gz HIAGSSILJWBNGQ-OALUTQOASA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164828859 720353960 /nfs/dbraw/zinc/35/39/60/720353960.db2.gz QJAUWUKHEVTWFI-LEWJYISDSA-N 1 0 467.545 3.707 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841040 720650618 /nfs/dbraw/zinc/65/06/18/720650618.db2.gz OSPZKAIVFCIRCE-HHXXYDBFSA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748726 720859369 /nfs/dbraw/zinc/85/93/69/720859369.db2.gz LVWNJCAVQBEFIL-CEMLEFRQSA-N 1 0 477.544 3.767 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753475 720871780 /nfs/dbraw/zinc/87/17/80/720871780.db2.gz PNUPDJXBYOZQAP-AUSIDOKSSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164752992 720875478 /nfs/dbraw/zinc/87/54/78/720875478.db2.gz OCSIHNAZPRJCMM-QFQXNSOFSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874505 721172144 /nfs/dbraw/zinc/17/21/44/721172144.db2.gz KEFUJTMAWDGNHJ-OALUTQOASA-N 1 0 466.929 3.580 20 5 JHBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164960009 722060889 /nfs/dbraw/zinc/06/08/89/722060889.db2.gz CNVDFANMXVROIJ-UHFFFAOYSA-N 1 0 460.538 3.566 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971212 722155308 /nfs/dbraw/zinc/15/53/08/722155308.db2.gz BCRSDJVNFPFCHF-GCJKJVERSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001306682723 1069414515 /nfs/dbraw/zinc/41/45/15/1069414515.db2.gz MURQUAHKOMZGSM-UHFFFAOYSA-N 1 0 466.590 3.703 20 5 JHBDRO Cc1ccc([C@@H](CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001311548932 1069434136 /nfs/dbraw/zinc/43/41/36/1069434136.db2.gz VDNDMHHXCGCKTA-LJQANCHMSA-N 1 0 453.465 3.936 20 5 JHBDRO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630109 1069478805 /nfs/dbraw/zinc/47/88/05/1069478805.db2.gz LQUIHNLSMMVARU-NRFANRHFSA-N 1 0 453.587 3.861 20 5 JHBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819143 1069559279 /nfs/dbraw/zinc/55/92/79/1069559279.db2.gz FCCKCLYWDGULBP-QGZVFWFLSA-N 1 0 455.534 3.921 20 5 JHBDRO CCC[N@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001306803205 1069611386 /nfs/dbraw/zinc/61/13/86/1069611386.db2.gz WREMRVVTORYNAS-UHFFFAOYSA-N 1 0 457.623 3.833 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(OC)CC2)C1 ZINC001307033761 1069748433 /nfs/dbraw/zinc/74/84/33/1069748433.db2.gz MEOXZHYYNPCNJB-DVECYGJZSA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001307054955 1069819703 /nfs/dbraw/zinc/81/97/03/1069819703.db2.gz MLRBBIPVIAQWNI-RBUKOAKNSA-N 1 0 482.507 3.885 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307057083 1069831565 /nfs/dbraw/zinc/83/15/65/1069831565.db2.gz VKGMNXCLLUYVGP-RBBKRZOGSA-N 1 0 483.617 3.613 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307516761 1070029924 /nfs/dbraw/zinc/02/99/24/1070029924.db2.gz KMWNBIILBVCYIW-SFHVURJKSA-N 1 0 451.308 3.906 20 5 JHBDRO CC(C)(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001312645082 1070059581 /nfs/dbraw/zinc/05/95/81/1070059581.db2.gz RVPXRTPNRGQXQK-UHFFFAOYSA-N 1 0 457.497 3.567 20 5 JHBDRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[NH+](C)C)cc1 ZINC001312807172 1070133890 /nfs/dbraw/zinc/13/38/90/1070133890.db2.gz WXUSXHVBQPPODX-HSZRJFAPSA-N 1 0 455.559 3.517 20 5 JHBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Br)c1 ZINC001308020792 1070282963 /nfs/dbraw/zinc/28/29/63/1070282963.db2.gz VYNFPFRWPGHFGV-KRWDZBQOSA-N 1 0 452.305 3.672 20 5 JHBDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001308425409 1070373758 /nfs/dbraw/zinc/37/37/58/1070373758.db2.gz HYQSCCCYAJKVCB-KUHUBIRLSA-N 1 0 451.308 3.952 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001308538852 1070386662 /nfs/dbraw/zinc/38/66/62/1070386662.db2.gz ASRDUYWYUPBCSB-BJKOFHAPSA-N 1 0 475.545 3.904 20 5 JHBDRO CCSc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)C)CC2)ccn1 ZINC001314584246 1070600814 /nfs/dbraw/zinc/60/08/14/1070600814.db2.gz CAPBADIVJITARA-UHFFFAOYSA-N 1 0 467.599 3.939 20 5 JHBDRO CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314598683 1070645150 /nfs/dbraw/zinc/64/51/50/1070645150.db2.gz JJBZBTGKRHVTQC-KNQAVFIVSA-N 1 0 488.658 3.934 20 5 JHBDRO C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1Cc1ccccc1 ZINC001309322343 1070697404 /nfs/dbraw/zinc/69/74/04/1070697404.db2.gz NCTMWRAJEZTRSX-GDBMZVCRSA-N 1 0 455.939 3.966 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001309335248 1070706421 /nfs/dbraw/zinc/70/64/21/1070706421.db2.gz QIKKHQWKCLQYSJ-UHFFFAOYSA-N 1 0 453.948 3.544 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313657129 1070854820 /nfs/dbraw/zinc/85/48/20/1070854820.db2.gz JTRZGACUTJYHFP-PMACEKPBSA-N 1 0 499.660 3.962 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001313667248 1070888358 /nfs/dbraw/zinc/88/83/58/1070888358.db2.gz KLDUIHCQOQZDAA-SFHVURJKSA-N 1 0 484.580 3.685 20 5 JHBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001313750250 1071081645 /nfs/dbraw/zinc/08/16/45/1071081645.db2.gz CDKAJGMAAPZAEQ-NRFANRHFSA-N 1 0 466.590 3.734 20 5 JHBDRO CCN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001313766858 1071114713 /nfs/dbraw/zinc/11/47/13/1071114713.db2.gz NVKMFRODPXSNPR-UHFFFAOYSA-N 1 0 456.591 3.715 20 5 JHBDRO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC001313835777 1071314469 /nfs/dbraw/zinc/31/44/69/1071314469.db2.gz JSTWOYBYLHIFBD-LJQANCHMSA-N 1 0 466.590 3.828 20 5 JHBDRO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC001313837696 1071320021 /nfs/dbraw/zinc/32/00/21/1071320021.db2.gz ZAODQNCOZORLGV-LJQANCHMSA-N 1 0 466.590 3.971 20 5 JHBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001310423941 1071382988 /nfs/dbraw/zinc/38/29/88/1071382988.db2.gz QRWGTOYUCDFUPC-UHFFFAOYSA-N 1 0 453.543 3.814 20 5 JHBDRO CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCCC2)CC1=O ZINC001313916978 1071554161 /nfs/dbraw/zinc/55/41/61/1071554161.db2.gz OMNXCLWATKKDSP-UHFFFAOYSA-N 1 0 483.617 3.568 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC001313921323 1071561357 /nfs/dbraw/zinc/56/13/57/1071561357.db2.gz PRNJZVPEYWFWMB-LJQANCHMSA-N 1 0 455.607 3.648 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313933226 1071597845 /nfs/dbraw/zinc/59/78/45/1071597845.db2.gz NUMQFCPYXWZTHF-KRWDZBQOSA-N 1 0 483.573 3.735 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306318689 1068742840 /nfs/dbraw/zinc/74/28/40/1068742840.db2.gz PGTMFESBNJTWQO-FQEVSTJZSA-N 1 0 455.607 3.901 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164679953 719660582 /nfs/dbraw/zinc/66/05/82/719660582.db2.gz BGKPYWCBOOGKGE-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)c2ccccc21 ZINC001164687370 719682176 /nfs/dbraw/zinc/68/21/76/719682176.db2.gz SAUOWUBRCPGRBV-LJQANCHMSA-N 1 0 488.592 3.631 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001164827295 720324698 /nfs/dbraw/zinc/32/46/98/720324698.db2.gz HJRKGWIGNYCKJS-VQTJNVASSA-N 1 0 457.962 3.708 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164831604 720344918 /nfs/dbraw/zinc/34/49/18/720344918.db2.gz YYTXZLORFMWEGJ-DHIUTWEWSA-N 1 0 478.597 3.526 20 5 JHBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164734503 720462350 /nfs/dbraw/zinc/46/23/50/720462350.db2.gz SXDSRUQEAGIXOZ-RTBURBONSA-N 1 0 490.593 3.709 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838579 720525212 /nfs/dbraw/zinc/52/52/12/720525212.db2.gz RRQALQIVXWIOTA-RIFZZMRRSA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749319 720858338 /nfs/dbraw/zinc/85/83/38/720858338.db2.gz MZSBUHMFURYCHB-BHIFYINESA-N 1 0 459.554 3.628 20 5 JHBDRO O=[N+]([O-])c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2[nH]ccc21 ZINC001164752693 720898726 /nfs/dbraw/zinc/89/87/26/720898726.db2.gz FQIZDYFHJWZACF-CPJSRVTESA-N 1 0 462.554 3.621 20 5 JHBDRO CC(C)Oc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746503 720918023 /nfs/dbraw/zinc/91/80/23/720918023.db2.gz BCPCRYWXRFOZLY-ATIYNZHBSA-N 1 0 481.597 3.927 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780386 721375697 /nfs/dbraw/zinc/37/56/97/721375697.db2.gz GQDYHQAXGCEDLR-DEOSSOPVSA-N 1 0 451.527 3.867 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164783637 721458291 /nfs/dbraw/zinc/45/82/91/721458291.db2.gz DYBVEVONLKDJBL-NRFANRHFSA-N 1 0 454.571 3.877 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932303 721880299 /nfs/dbraw/zinc/88/02/99/721880299.db2.gz IMHFQXDOZSIWFR-OALUTQOASA-N 1 0 452.584 3.790 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982684 722111613 /nfs/dbraw/zinc/11/16/13/722111613.db2.gz XRYXEVLVHPMPLT-PXNSSMCTSA-N 1 0 453.930 3.919 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971217 722155778 /nfs/dbraw/zinc/15/57/78/722155778.db2.gz BCRSDJVNFPFCHF-XMSQKQJNSA-N 1 0 453.930 3.919 20 5 JHBDRO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630110 1069478915 /nfs/dbraw/zinc/47/89/15/1069478915.db2.gz LQUIHNLSMMVARU-OAQYLSRUSA-N 1 0 453.587 3.861 20 5 JHBDRO CC(C)[NH+](CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(C)C ZINC001312181439 1069769227 /nfs/dbraw/zinc/76/92/27/1069769227.db2.gz IIKMSGOFDDNAGB-UHFFFAOYSA-N 1 0 459.513 3.954 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058442 1069839672 /nfs/dbraw/zinc/83/96/72/1069839672.db2.gz NGDNOCXGEPVUMM-IFMALSPDSA-N 1 0 456.591 3.634 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001307063744 1069863693 /nfs/dbraw/zinc/86/36/93/1069863693.db2.gz WIYPDHIHKHNPCH-LJQANCHMSA-N 1 0 450.547 3.544 20 5 JHBDRO COc1cc(N[C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543912 1070043286 /nfs/dbraw/zinc/04/32/86/1070043286.db2.gz QQWDIYCQPYSISK-MRXNPFEDSA-N 1 0 458.515 3.526 20 5 JHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC001307633984 1070092328 /nfs/dbraw/zinc/09/23/28/1070092328.db2.gz SZIRRROKJXSGFJ-VQTJNVASSA-N 1 0 451.445 3.816 20 5 JHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001307775227 1070178640 /nfs/dbraw/zinc/17/86/40/1070178640.db2.gz XKQWAGJFSPZKEQ-KNQAVFIVSA-N 1 0 476.574 3.626 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001307877751 1070220616 /nfs/dbraw/zinc/22/06/16/1070220616.db2.gz PANZFCPGQGAVAK-VQTJNVASSA-N 1 0 469.538 3.989 20 5 JHBDRO Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885366 1070224632 /nfs/dbraw/zinc/22/46/32/1070224632.db2.gz OGRQBLHOOYXEAP-NSHGMRRFSA-N 1 0 454.571 3.971 20 5 JHBDRO C[NH+](C)C1(C)CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 ZINC001313177858 1070282927 /nfs/dbraw/zinc/28/29/27/1070282927.db2.gz BAFAKYYETBRHNY-UHFFFAOYSA-N 1 0 457.497 3.708 20 5 JHBDRO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313396680 1070347556 /nfs/dbraw/zinc/34/75/56/1070347556.db2.gz KOTICAPTGPCJRW-UHFFFAOYSA-N 1 0 459.550 3.806 20 5 JHBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC001308264864 1070348360 /nfs/dbraw/zinc/34/83/60/1070348360.db2.gz UJMFGIYAJFEXJD-UHFFFAOYSA-N 1 0 458.521 3.533 20 5 JHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001308288408 1070352491 /nfs/dbraw/zinc/35/24/91/1070352491.db2.gz WHXXIXSVJKSIKM-UHFFFAOYSA-N 1 0 453.586 3.562 20 5 JHBDRO COC(=O)COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001308559750 1070389369 /nfs/dbraw/zinc/38/93/69/1070389369.db2.gz AXRMRLVKICLPDX-VWLOTQADSA-N 1 0 453.539 3.635 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001314650021 1070757587 /nfs/dbraw/zinc/75/75/87/1070757587.db2.gz YKWQFRGYMPPWIK-OAQYLSRUSA-N 1 0 491.587 3.751 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001313658992 1070861706 /nfs/dbraw/zinc/86/17/06/1070861706.db2.gz VXNPLLYNKXTVTJ-WIYYLYMNSA-N 1 0 465.558 3.636 20 5 JHBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnccc2OC)CC1 ZINC001313698063 1070969474 /nfs/dbraw/zinc/96/94/74/1070969474.db2.gz QBYCEEVPQXLYLF-UHFFFAOYSA-N 1 0 465.558 3.616 20 5 JHBDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001309815573 1070980604 /nfs/dbraw/zinc/98/06/04/1070980604.db2.gz QEJFCDPEDJRZRC-IBGZPJMESA-N 1 0 454.552 3.818 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001313712334 1071008372 /nfs/dbraw/zinc/00/83/72/1071008372.db2.gz NYMGNOORPMSJSN-NRFANRHFSA-N 1 0 454.531 3.756 20 5 JHBDRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCC1 ZINC001314762173 1071019501 /nfs/dbraw/zinc/01/95/01/1071019501.db2.gz HOMUKWVQYDYYSM-UHFFFAOYSA-N 1 0 492.506 3.726 20 5 JHBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001313750611 1071083461 /nfs/dbraw/zinc/08/34/61/1071083461.db2.gz OYXQVCWVTMBKDE-UHFFFAOYSA-N 1 0 466.590 3.735 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313806789 1071225964 /nfs/dbraw/zinc/22/59/64/1071225964.db2.gz YKQWYGKTMHMYTL-SFHVURJKSA-N 1 0 470.496 3.743 20 5 JHBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001313875579 1071435494 /nfs/dbraw/zinc/43/54/94/1071435494.db2.gz AKSRBBRJOGCIMS-UHFFFAOYSA-N 1 0 495.550 3.660 20 5 JHBDRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001313879603 1071450587 /nfs/dbraw/zinc/45/05/87/1071450587.db2.gz HHMYLCHZBJXXAK-JOCHJYFZSA-N 1 0 470.618 3.881 20 5 JHBDRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001313893012 1071489270 /nfs/dbraw/zinc/48/92/70/1071489270.db2.gz BHXISHFFDSTKMQ-FQEVSTJZSA-N 1 0 454.600 3.859 20 5 JHBDRO CCOC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001314020326 1071771223 /nfs/dbraw/zinc/77/12/23/1071771223.db2.gz RDRAZNDDCIVOLR-UHFFFAOYSA-N 1 0 487.605 3.641 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325395 1068762444 /nfs/dbraw/zinc/76/24/44/1068762444.db2.gz XTXJFGWEHAADJA-LEWJYISDSA-N 1 0 456.591 3.634 20 5 JHBDRO CC[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC001311246175 1069307182 /nfs/dbraw/zinc/30/71/82/1069307182.db2.gz VCGBKTOZZDRBLY-GOSISDBHSA-N 1 0 457.531 3.637 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)CC1 ZINC001311245952 1069307580 /nfs/dbraw/zinc/30/75/80/1069307580.db2.gz TXQOBXWIQUVPKA-NRFANRHFSA-N 1 0 459.934 3.605 20 5 JHBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC2)CC1 ZINC001164618113 719034185 /nfs/dbraw/zinc/03/41/85/719034185.db2.gz SGKUQXTYVATBGM-UHFFFAOYSA-N 1 0 473.961 3.949 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c2ccccc21 ZINC001164684525 719657603 /nfs/dbraw/zinc/65/76/03/719657603.db2.gz XRCKMGGBARPWAU-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164826536 720348770 /nfs/dbraw/zinc/34/87/70/720348770.db2.gz KFUMMHNKHPOPSL-SFTDATJTSA-N 1 0 484.988 3.617 20 5 JHBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001164734017 720534937 /nfs/dbraw/zinc/53/49/37/720534937.db2.gz FYCJFIQZLAZWCE-AWEZNQCLSA-N 1 0 477.903 3.645 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164838359 720607262 /nfs/dbraw/zinc/60/72/62/720607262.db2.gz KUBKSEBRFODJCH-IHRRRGAJSA-N 1 0 473.887 3.631 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841045 720649065 /nfs/dbraw/zinc/64/90/65/720649065.db2.gz OSPZKAIVFCIRCE-VDZJLULYSA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746012 720859064 /nfs/dbraw/zinc/85/90/64/720859064.db2.gz FEGCQFMHSGEXQS-QWFCFKBJSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756609 720886151 /nfs/dbraw/zinc/88/61/51/720886151.db2.gz QXWWHVHCBRGNBA-QFQXNSOFSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756608 720886470 /nfs/dbraw/zinc/88/64/70/720886470.db2.gz QXWWHVHCBRGNBA-LVXARBLLSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164752069 720931733 /nfs/dbraw/zinc/93/17/33/720931733.db2.gz NALKBMCJULMNMX-RLWLMLJZSA-N 1 0 474.565 3.688 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164780081 721347477 /nfs/dbraw/zinc/34/74/77/721347477.db2.gz ZKGDURRTKLVURF-XMMPIXPASA-N 1 0 451.527 3.867 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164782300 721362970 /nfs/dbraw/zinc/36/29/70/721362970.db2.gz MRUVIURAWWTEMV-XMMPIXPASA-N 1 0 451.527 3.867 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888795 721405165 /nfs/dbraw/zinc/40/51/65/721405165.db2.gz OQVQYTVESCYSAA-GAJHUEQPSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164788701 721450771 /nfs/dbraw/zinc/45/07/71/721450771.db2.gz SQMQVWYVNOZIHB-SFHVURJKSA-N 1 0 488.963 3.922 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164788636 721454705 /nfs/dbraw/zinc/45/47/05/721454705.db2.gz RUJQHRGSGNEKQK-KRWDZBQOSA-N 1 0 488.963 3.922 20 5 JHBDRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808866 721582119 /nfs/dbraw/zinc/58/21/19/721582119.db2.gz QZCHDAWSZRLCMD-WPFOTENUSA-N 1 0 460.538 3.623 20 5 JHBDRO COc1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907421 721704717 /nfs/dbraw/zinc/70/47/17/721704717.db2.gz RTLWCPPPPWXIKB-QFIPXVFZSA-N 1 0 470.480 3.679 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025915 721802340 /nfs/dbraw/zinc/80/23/40/721802340.db2.gz PVOQJWWMDQYCJM-IPELMVKDSA-N 1 0 473.961 3.952 20 5 JHBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960662 722059547 /nfs/dbraw/zinc/05/95/47/722059547.db2.gz GJZVXNVXKNQZSR-UHFFFAOYSA-N 1 0 460.538 3.566 20 5 JHBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001311424439 1069372570 /nfs/dbraw/zinc/37/25/70/1069372570.db2.gz SSTVCWLONGMVFI-JOCHJYFZSA-N 1 0 451.571 3.696 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306728603 1069476130 /nfs/dbraw/zinc/47/61/30/1069476130.db2.gz URZYDQKVPQWUOR-JOCHJYFZSA-N 1 0 455.607 3.730 20 5 JHBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001306779005 1069574924 /nfs/dbraw/zinc/57/49/24/1069574924.db2.gz CVXLAQFZSNPYRC-CLOONOSVSA-N 1 0 470.618 3.963 20 5 JHBDRO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001306903118 1069679746 /nfs/dbraw/zinc/67/97/46/1069679746.db2.gz AUNMKHXGIZNXPG-UHFFFAOYSA-N 1 0 455.518 3.949 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001307033337 1069747438 /nfs/dbraw/zinc/74/74/38/1069747438.db2.gz KAHOHACRKWRIMH-UHFFFAOYSA-N 1 0 497.644 3.670 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(OC)CC2)C1 ZINC001307033765 1069748319 /nfs/dbraw/zinc/74/83/19/1069748319.db2.gz MEOXZHYYNPCNJB-YADARESESA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001307045718 1069782596 /nfs/dbraw/zinc/78/25/96/1069782596.db2.gz LKMDJWYNAPZIPG-MHECFPHRSA-N 1 0 456.591 3.715 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(COC)n2)CC1 ZINC001307044963 1069780367 /nfs/dbraw/zinc/78/03/67/1069780367.db2.gz BUWCBIJRQMWLMZ-UHFFFAOYSA-N 1 0 485.614 3.815 20 5 JHBDRO C[NH+](C)[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccc(C(F)(F)F)c1 ZINC001312553223 1070009550 /nfs/dbraw/zinc/00/95/50/1070009550.db2.gz RKCBUJSHCIUSHP-IBGZPJMESA-N 1 0 452.433 3.689 20 5 JHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC001307631859 1070091167 /nfs/dbraw/zinc/09/11/67/1070091167.db2.gz NNPOWNVQIFEHSS-LAUBAEHRSA-N 1 0 454.527 3.664 20 5 JHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC001307633985 1070092874 /nfs/dbraw/zinc/09/28/74/1070092874.db2.gz SZIRRROKJXSGFJ-WOJBJXKFSA-N 1 0 451.445 3.816 20 5 JHBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648925 1070100958 /nfs/dbraw/zinc/10/09/58/1070100958.db2.gz CPDHRCQXMHHYQZ-NVXWUHKLSA-N 1 0 450.536 3.557 20 5 JHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307719043 1070144389 /nfs/dbraw/zinc/14/43/89/1070144389.db2.gz IDSFFVBSGWYNST-INIZCTEOSA-N 1 0 456.547 3.878 20 5 JHBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001307965477 1070261556 /nfs/dbraw/zinc/26/15/56/1070261556.db2.gz FJJZJPXRUJTYGL-HXUWFJFHSA-N 1 0 452.486 3.810 20 5 JHBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009389 1070278245 /nfs/dbraw/zinc/27/82/45/1070278245.db2.gz RIBSTIKIALVZLZ-XYHYBEPMSA-N 1 0 452.555 3.774 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001308031806 1070287462 /nfs/dbraw/zinc/28/74/62/1070287462.db2.gz RMHSUMQWKZNRPJ-NLFFAJNJSA-N 1 0 452.555 3.597 20 5 JHBDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001308329465 1070356908 /nfs/dbraw/zinc/35/69/08/1070356908.db2.gz ARKUYLKEHXIPMM-HNNXBMFYSA-N 1 0 453.280 3.577 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)COc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001308337010 1070358745 /nfs/dbraw/zinc/35/87/45/1070358745.db2.gz LEZFZBVPJVAQMM-UHFFFAOYSA-N 1 0 458.298 3.796 20 5 JHBDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnc(C)s2)C[C@@H]1CC ZINC001314497815 1070421395 /nfs/dbraw/zinc/42/13/95/1070421395.db2.gz VULCFQUNZBVNPD-IBGZPJMESA-N 1 0 485.614 3.604 20 5 JHBDRO COc1cc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC001309036620 1070500512 /nfs/dbraw/zinc/50/05/12/1070500512.db2.gz DIBUDPGJCVUPKY-UHFFFAOYSA-N 1 0 455.536 3.811 20 5 JHBDRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001314598684 1070645116 /nfs/dbraw/zinc/64/51/16/1070645116.db2.gz JJBZBTGKRHVTQC-SIKLNZKXSA-N 1 0 488.658 3.934 20 5 JHBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)CC(C)C ZINC001309300871 1070682526 /nfs/dbraw/zinc/68/25/26/1070682526.db2.gz LOKJGWCOLGYWBD-CQSZACIVSA-N 1 0 450.399 3.701 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001314650017 1070757473 /nfs/dbraw/zinc/75/74/73/1070757473.db2.gz YKWQFRGYMPPWIK-NRFANRHFSA-N 1 0 491.587 3.751 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313657131 1070854765 /nfs/dbraw/zinc/85/47/65/1070854765.db2.gz JTRZGACUTJYHFP-VQTJNVASSA-N 1 0 499.660 3.962 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001313657719 1070856935 /nfs/dbraw/zinc/85/69/35/1070856935.db2.gz OCFUXHCXMSTANE-UWJYYQICSA-N 1 0 466.590 3.831 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001313658990 1070861762 /nfs/dbraw/zinc/86/17/62/1070861762.db2.gz VXNPLLYNKXTVTJ-NQIIRXRSSA-N 1 0 465.558 3.636 20 5 JHBDRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001313663767 1070873672 /nfs/dbraw/zinc/87/36/72/1070873672.db2.gz HRGFRKXUQJPYMR-OAQYLSRUSA-N 1 0 452.563 3.616 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314749860 1071000782 /nfs/dbraw/zinc/00/07/82/1071000782.db2.gz PYBNIXOMGMTERR-SIKLNZKXSA-N 1 0 460.604 3.502 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314834235 1071172846 /nfs/dbraw/zinc/17/28/46/1071172846.db2.gz SCTNKOZEVVRLMQ-ICSRJNTNSA-N 1 0 470.599 3.734 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)C(C)C ZINC001313806236 1071223760 /nfs/dbraw/zinc/22/37/60/1071223760.db2.gz SHAFTAFIKBFCFO-LJQANCHMSA-N 1 0 468.562 3.659 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313806788 1071225946 /nfs/dbraw/zinc/22/59/46/1071225946.db2.gz YKQWYGKTMHMYTL-GOSISDBHSA-N 1 0 470.496 3.743 20 5 JHBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859334 1071363537 /nfs/dbraw/zinc/36/35/37/1071363537.db2.gz FZZXEXDISZAMBM-DLBZAZTESA-N 1 0 455.588 3.862 20 5 JHBDRO C[N@@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(C)C ZINC001314930530 1071373810 /nfs/dbraw/zinc/37/38/10/1071373810.db2.gz HHKYGPCJZWUVHP-UHFFFAOYSA-N 1 0 483.661 3.970 20 5 JHBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910301 1071534971 /nfs/dbraw/zinc/53/49/71/1071534971.db2.gz FSQLSEKCMRSCOU-IFMALSPDSA-N 1 0 456.591 3.980 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925814 1071574748 /nfs/dbraw/zinc/57/47/48/1071574748.db2.gz AZBJGEMZVZCZNP-LJQANCHMSA-N 1 0 455.607 3.505 20 5 JHBDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306043483 1068461440 /nfs/dbraw/zinc/46/14/40/1068461440.db2.gz QTCVZRDYIYYHPP-ROUUACIJSA-N 1 0 480.617 3.679 20 5 JHBDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306499611 1069055933 /nfs/dbraw/zinc/05/59/33/1069055933.db2.gz ONICASMNLQUDGN-IRLDBZIGSA-N 1 0 497.644 3.859 20 5 JHBDRO CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001306525458 1069152247 /nfs/dbraw/zinc/15/22/47/1069152247.db2.gz CGCFDZUSAMFTLM-DEOSSOPVSA-N 1 0 456.591 3.859 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCc3ccc(F)cc3C(F)(F)F)c2)CC1 ZINC001311244819 1069306545 /nfs/dbraw/zinc/30/65/45/1069306545.db2.gz UJWOBFAJLIOMAQ-UHFFFAOYSA-N 1 0 455.412 3.826 20 5 JHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818798 720188877 /nfs/dbraw/zinc/18/88/77/720188877.db2.gz UQTFSVKROBPTRT-WZONZLPQSA-N 1 0 457.962 3.890 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753483 720871618 /nfs/dbraw/zinc/87/16/18/720871618.db2.gz PNUPDJXBYOZQAP-XXBNENTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906257 721695856 /nfs/dbraw/zinc/69/58/56/721695856.db2.gz MQGIHMDNFJVAPV-KRWDZBQOSA-N 1 0 459.284 3.824 20 5 JHBDRO CN(C)/C=C\c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907386 721723713 /nfs/dbraw/zinc/72/37/13/721723713.db2.gz RJNZWMZVAYMEPB-RWKBYAJOSA-N 1 0 458.513 3.655 20 5 JHBDRO CCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978036 722147516 /nfs/dbraw/zinc/14/75/16/722147516.db2.gz JIJHOWQTVIOVMP-XUZZJYLKSA-N 1 0 474.565 3.737 20 5 JHBDRO Cc1ccc([C@H](CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001311548931 1069434114 /nfs/dbraw/zinc/43/41/14/1069434114.db2.gz VDNDMHHXCGCKTA-IBGZPJMESA-N 1 0 453.465 3.936 20 5 JHBDRO COc1ccccc1[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCC1 ZINC001311621341 1069472176 /nfs/dbraw/zinc/47/21/76/1069472176.db2.gz AZGBMXFZNGIBNH-JOCHJYFZSA-N 1 0 454.527 3.603 20 5 JHBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307111599 1069893565 /nfs/dbraw/zinc/89/35/65/1069893565.db2.gz NQQJUFNBQWENTP-NIAPBTPMSA-N 1 0 450.605 3.515 20 5 JHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001307555431 1070050805 /nfs/dbraw/zinc/05/08/05/1070050805.db2.gz BDLHYFHPBQJMBL-SFHVURJKSA-N 1 0 450.495 3.872 20 5 JHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC001307633983 1070091945 /nfs/dbraw/zinc/09/19/45/1070091945.db2.gz SZIRRROKJXSGFJ-UXHICEINSA-N 1 0 451.445 3.816 20 5 JHBDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC001307716022 1070141691 /nfs/dbraw/zinc/14/16/91/1070141691.db2.gz QKKPCKFEIRWBKR-QFIPXVFZSA-N 1 0 450.511 3.786 20 5 JHBDRO O=C(CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307759306 1070171001 /nfs/dbraw/zinc/17/10/01/1070171001.db2.gz IPAKSEOIESEANW-LJQANCHMSA-N 1 0 456.518 3.666 20 5 JHBDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC001307886923 1070225787 /nfs/dbraw/zinc/22/57/87/1070225787.db2.gz YIWYCOHIMWTRLA-HDICACEKSA-N 1 0 451.527 3.886 20 5 JHBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001307969611 1070262941 /nfs/dbraw/zinc/26/29/41/1070262941.db2.gz OZSAIYGAWKZKNG-CYBMUJFWSA-N 1 0 457.234 3.658 20 5 JHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001307994154 1070272984 /nfs/dbraw/zinc/27/29/84/1070272984.db2.gz YFCHSZAMRRYCEY-INIZCTEOSA-N 1 0 450.536 3.701 20 5 JHBDRO CCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314432118 1070316280 /nfs/dbraw/zinc/31/62/80/1070316280.db2.gz BRRQOKVGBMRYHJ-WOJBJXKFSA-N 1 0 456.591 3.981 20 5 JHBDRO C[C@@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308120934 1070320410 /nfs/dbraw/zinc/32/04/10/1070320410.db2.gz DWFKTGMYYIBZOB-ONBPZOJHSA-N 1 0 461.562 3.982 20 5 JHBDRO COc1cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001308130626 1070324094 /nfs/dbraw/zinc/32/40/94/1070324094.db2.gz VQYASEUHXCIYGJ-UKRRQHHQSA-N 1 0 459.490 3.840 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308165805 1070333542 /nfs/dbraw/zinc/33/35/42/1070333542.db2.gz FVFWDJKXPIDRDE-UHFFFAOYSA-N 1 0 450.536 3.511 20 5 JHBDRO CCOCCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001314441533 1070331294 /nfs/dbraw/zinc/33/12/94/1070331294.db2.gz BPXKRWQQYZZQTJ-UHFFFAOYSA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001313446572 1070363510 /nfs/dbraw/zinc/36/35/10/1070363510.db2.gz COISZDJNCZBQHK-NRFANRHFSA-N 1 0 466.590 3.714 20 5 JHBDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362702 1070361721 /nfs/dbraw/zinc/36/17/21/1070361721.db2.gz DSTYDPIYJXQJIA-IFXJQAMLSA-N 1 0 451.308 3.810 20 5 JHBDRO C[C@H]1[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001308425407 1070373945 /nfs/dbraw/zinc/37/39/45/1070373945.db2.gz HYQSCCCYAJKVCB-IFXJQAMLSA-N 1 0 451.308 3.952 20 5 JHBDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001308773929 1070435652 /nfs/dbraw/zinc/43/56/52/1070435652.db2.gz CEUSVFYWQJOALD-HNNXBMFYSA-N 1 0 451.976 3.967 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313724341 1071030718 /nfs/dbraw/zinc/03/07/18/1071030718.db2.gz RJTQMLUXXWDQEZ-APWZRJJASA-N 1 0 471.587 3.618 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314830721 1071162220 /nfs/dbraw/zinc/16/22/20/1071162220.db2.gz YAVAGTBRNVZMBS-OAQYLSRUSA-N 1 0 470.618 3.881 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314835058 1071175931 /nfs/dbraw/zinc/17/59/31/1071175931.db2.gz YVUMPRJASMJGIO-QHCPKHFHSA-N 1 0 477.613 3.971 20 5 JHBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313877195 1071440907 /nfs/dbraw/zinc/44/09/07/1071440907.db2.gz RCTHQDCZXXICET-JOCHJYFZSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001313879604 1071450695 /nfs/dbraw/zinc/45/06/95/1071450695.db2.gz HHMYLCHZBJXXAK-QFIPXVFZSA-N 1 0 470.618 3.881 20 5 JHBDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001313892321 1071487045 /nfs/dbraw/zinc/48/70/45/1071487045.db2.gz XWCXKMCVZUAQFV-AZUAARDMSA-N 1 0 499.616 3.689 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313954476 1071651820 /nfs/dbraw/zinc/65/18/20/1071651820.db2.gz OLVDUAOFOCPRFG-UHFFFAOYSA-N 1 0 477.560 3.507 20 5 JHBDRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306286673 1068704774 /nfs/dbraw/zinc/70/47/74/1068704774.db2.gz LJMRNUPIDAUJMY-QUCCMNQESA-N 1 0 456.591 3.713 20 5 JHBDRO CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001306363617 1068799852 /nfs/dbraw/zinc/79/98/52/1068799852.db2.gz JKYUEBBOKDOWEP-UHFFFAOYSA-N 1 0 455.607 3.507 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1N1CCOCC1 ZINC001306407456 1068882073 /nfs/dbraw/zinc/88/20/73/1068882073.db2.gz ZLKLIXPOXVBNEQ-QPPBQGQZSA-N 1 0 499.660 3.519 20 5 JHBDRO C[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1cc(Cl)cc2c1OCC2 ZINC001311244701 1069306714 /nfs/dbraw/zinc/30/67/14/1069306714.db2.gz CZJVRPVTZYHBNP-CQSZACIVSA-N 1 0 459.934 3.818 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H](Cc3cccnc3)C3CCCC3)c2)CC1 ZINC001311245033 1069306812 /nfs/dbraw/zinc/30/68/12/1069306812.db2.gz FVBNTRKJOFJFPZ-OAQYLSRUSA-N 1 0 452.559 3.665 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)c2ccccc21 ZINC001164680400 719674545 /nfs/dbraw/zinc/67/45/45/719674545.db2.gz DOOUZTAMPXUHGD-GOSISDBHSA-N 1 0 476.581 3.565 20 5 JHBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164734501 720462011 /nfs/dbraw/zinc/46/20/11/720462011.db2.gz SXDSRUQEAGIXOZ-RBUKOAKNSA-N 1 0 490.593 3.709 20 5 JHBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001164734971 720534647 /nfs/dbraw/zinc/53/46/47/720534647.db2.gz LXOMDTFBSVWMIW-CQSZACIVSA-N 1 0 477.903 3.645 20 5 JHBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752188 720805270 /nfs/dbraw/zinc/80/52/70/720805270.db2.gz ZANKVTRRROOPPQ-YADHBBJMSA-N 1 0 498.543 3.854 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747514 720848595 /nfs/dbraw/zinc/84/85/95/720848595.db2.gz RAWSRVBSDMWMPA-YRISNDGFSA-N 1 0 467.961 3.767 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164744769 720851617 /nfs/dbraw/zinc/85/16/17/720851617.db2.gz CJTPPXSIQIAQQY-AGILITTLSA-N 1 0 488.596 3.585 20 5 JHBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164754491 720895774 /nfs/dbraw/zinc/89/57/74/720895774.db2.gz JCJZQYKRYYECLC-NBGIEHNGSA-N 1 0 462.554 3.621 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890782 721435857 /nfs/dbraw/zinc/43/58/57/721435857.db2.gz FSBCNRPVGLBOOD-MBSDFSHPSA-N 1 0 459.978 3.562 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889105 721451226 /nfs/dbraw/zinc/45/12/26/721451226.db2.gz NMPZPTPFGUWAAC-MBSDFSHPSA-N 1 0 459.978 3.562 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892074 721451277 /nfs/dbraw/zinc/45/12/77/721451277.db2.gz WOSFPJWIXUNTHO-SQJMNOBHSA-N 1 0 469.561 3.561 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164786533 721469454 /nfs/dbraw/zinc/46/94/54/721469454.db2.gz BOIOISFQEUWIRY-OAQYLSRUSA-N 1 0 481.597 3.786 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788816 721473218 /nfs/dbraw/zinc/47/32/18/721473218.db2.gz LJGXLRBIIKMHSG-QFIPXVFZSA-N 1 0 454.571 3.877 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903502 721561965 /nfs/dbraw/zinc/56/19/65/721561965.db2.gz BOWYPXFRWCDTBJ-IEBWSBKVSA-N 1 0 453.449 3.672 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955672 722022162 /nfs/dbraw/zinc/02/21/62/722022162.db2.gz MSJFZOFQFCJZTM-UHFFFAOYSA-N 1 0 456.856 3.945 20 5 JHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001311380632 1069353908 /nfs/dbraw/zinc/35/39/08/1069353908.db2.gz MGSORJJLXAJOCN-OAQYLSRUSA-N 1 0 453.587 3.908 20 5 JHBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001306779007 1069574945 /nfs/dbraw/zinc/57/49/45/1069574945.db2.gz CVXLAQFZSNPYRC-KBMIEXCESA-N 1 0 470.618 3.963 20 5 JHBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001306802079 1069607445 /nfs/dbraw/zinc/60/74/45/1069607445.db2.gz FLYQIKCGLUHBFS-UHFFFAOYSA-N 1 0 484.630 3.758 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994011 1069695544 /nfs/dbraw/zinc/69/55/44/1069695544.db2.gz NYUBAYQJTAYCSK-RXVVDRJESA-N 1 0 458.584 3.933 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001307054957 1069819384 /nfs/dbraw/zinc/81/93/84/1069819384.db2.gz MLRBBIPVIAQWNI-RTBURBONSA-N 1 0 482.507 3.885 20 5 JHBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307111600 1069893582 /nfs/dbraw/zinc/89/35/82/1069893582.db2.gz NQQJUFNBQWENTP-PAQOUXTFSA-N 1 0 450.605 3.515 20 5 JHBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001307210358 1069907808 /nfs/dbraw/zinc/90/78/08/1069907808.db2.gz ITGKKMDPCFWMAZ-CALCHBBNSA-N 1 0 451.955 3.696 20 5 JHBDRO CCOCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314344598 1070148964 /nfs/dbraw/zinc/14/89/64/1070148964.db2.gz DEYBXXWEAJGYHE-OALUTQOASA-N 1 0 488.637 3.517 20 5 JHBDRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC001308077843 1070305030 /nfs/dbraw/zinc/30/50/30/1070305030.db2.gz MDWPJFKRLGTRGN-LRAJWGHMSA-N 1 0 487.475 3.892 20 5 JHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309112894 1070546023 /nfs/dbraw/zinc/54/60/23/1070546023.db2.gz RBUKOFQDVBXJAR-MRXNPFEDSA-N 1 0 457.474 3.804 20 5 JHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001309182863 1070589441 /nfs/dbraw/zinc/58/94/41/1070589441.db2.gz PXOLYZSECASOIF-UHFFFAOYSA-N 1 0 453.948 3.510 20 5 JHBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1 ZINC001309212683 1070611568 /nfs/dbraw/zinc/61/15/68/1070611568.db2.gz WKBUBUHMYZFKNH-UHFFFAOYSA-N 1 0 454.346 3.648 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001313656849 1070852964 /nfs/dbraw/zinc/85/29/64/1070852964.db2.gz GTUADJGRCRAGST-HNNXBMFYSA-N 1 0 460.970 3.607 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314749855 1071000989 /nfs/dbraw/zinc/00/09/89/1071000989.db2.gz PYBNIXOMGMTERR-DENIHFKCSA-N 1 0 460.604 3.502 20 5 JHBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC001309915529 1071015848 /nfs/dbraw/zinc/01/58/48/1071015848.db2.gz NMUQRMNWJVIJOC-VQTJNVASSA-N 1 0 457.577 3.911 20 5 JHBDRO CN(CCC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCCCC1 ZINC001314842405 1071192712 /nfs/dbraw/zinc/19/27/12/1071192712.db2.gz VXDMVYAZVRQSJI-UHFFFAOYSA-N 1 0 456.591 3.982 20 5 JHBDRO CC[N@H+](CCn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CCC(F)(F)F ZINC001313806642 1071224999 /nfs/dbraw/zinc/22/49/99/1071224999.db2.gz UQBQKYLFJJVSAR-UHFFFAOYSA-N 1 0 472.516 3.622 20 5 JHBDRO CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001313806791 1071225873 /nfs/dbraw/zinc/22/58/73/1071225873.db2.gz YPNIENVPQIPOCU-NRFANRHFSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859337 1071363603 /nfs/dbraw/zinc/36/36/03/1071363603.db2.gz FZZXEXDISZAMBM-SJORKVTESA-N 1 0 455.588 3.862 20 5 JHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001310435585 1071388580 /nfs/dbraw/zinc/38/85/80/1071388580.db2.gz JGMXYRMGOZXKEL-FQEVSTJZSA-N 1 0 452.559 3.673 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921856 1071562455 /nfs/dbraw/zinc/56/24/55/1071562455.db2.gz SZZZSVTWKXKWFL-RTBURBONSA-N 1 0 498.657 3.576 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921850 1071562621 /nfs/dbraw/zinc/56/26/21/1071562621.db2.gz SZZZSVTWKXKWFL-OALUTQOASA-N 1 0 498.657 3.576 20 5 JHBDRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306286669 1068704789 /nfs/dbraw/zinc/70/47/89/1068704789.db2.gz LJMRNUPIDAUJMY-AZUAARDMSA-N 1 0 456.591 3.713 20 5 JHBDRO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306618091 1069300340 /nfs/dbraw/zinc/30/03/40/1069300340.db2.gz QQKDDSZMMMDRGR-OAQYLSRUSA-N 1 0 499.641 3.912 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164684479 719657541 /nfs/dbraw/zinc/65/75/41/719657541.db2.gz XOQRWCAZDJDHBX-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164683295 719657585 /nfs/dbraw/zinc/65/75/85/719657585.db2.gz VAAKLIOZDYDNDU-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO Cn1nnc2c1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719898 720183952 /nfs/dbraw/zinc/18/39/52/720183952.db2.gz YHKQRJUBMNZMBC-FQEVSTJZSA-N 1 0 478.000 3.781 20 5 JHBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC001164816645 720245358 /nfs/dbraw/zinc/24/53/58/720245358.db2.gz LAVHQQCUUSTQMA-UHFFFAOYSA-N 1 0 466.517 3.603 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840404 720676924 /nfs/dbraw/zinc/67/69/24/720676924.db2.gz MGKKUXGRYVKSRU-HNNXBMFYSA-N 1 0 452.342 3.952 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758186 720884038 /nfs/dbraw/zinc/88/40/38/720884038.db2.gz XNFXOAXMYYUEPJ-XXBNENTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756607 720886059 /nfs/dbraw/zinc/88/60/59/720886059.db2.gz QXWWHVHCBRGNBA-HFZDXXHNSA-N 1 0 474.565 3.688 20 5 JHBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861565 720891046 /nfs/dbraw/zinc/89/10/46/720891046.db2.gz PTQISFQOLWNYQZ-RLWLMLJZSA-N 1 0 492.576 3.896 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888797 721404810 /nfs/dbraw/zinc/40/48/10/721404810.db2.gz OQVQYTVESCYSAA-HXOBKFHXSA-N 1 0 459.978 3.562 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889103 721450965 /nfs/dbraw/zinc/45/09/65/721450965.db2.gz NMPZPTPFGUWAAC-JPYJTQIMSA-N 1 0 459.978 3.562 20 5 JHBDRO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812016 721583815 /nfs/dbraw/zinc/58/38/15/721583815.db2.gz ZNJLNMJEOQGJOA-SONWIMMPSA-N 1 0 474.565 3.877 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977073 722142208 /nfs/dbraw/zinc/14/22/08/722142208.db2.gz ILVQTCDJLUVMFM-VGOFRKELSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306724229 1069465258 /nfs/dbraw/zinc/46/52/58/1069465258.db2.gz XRYRLPFZRRXNQI-NRFANRHFSA-N 1 0 485.633 3.859 20 5 JHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849947 1069659048 /nfs/dbraw/zinc/65/90/48/1069659048.db2.gz DRCOUZZDWPOHLV-CQSZACIVSA-N 1 0 454.708 3.830 20 5 JHBDRO CCCC[NH+]1CCC(Nc2c3ccn(S(=O)(=O)c4ccccc4)c3ncc2[N+](=O)[O-])CC1 ZINC001306950685 1069688320 /nfs/dbraw/zinc/68/83/20/1069688320.db2.gz DLLFWHJDKIYQIV-UHFFFAOYSA-N 1 0 457.556 3.858 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001307033950 1069749521 /nfs/dbraw/zinc/74/95/21/1069749521.db2.gz GDJIQCKQEZBRTC-LJQANCHMSA-N 1 0 451.575 3.603 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037948 1069759765 /nfs/dbraw/zinc/75/97/65/1069759765.db2.gz XXDLNFBEUDJHPF-WOJBJXKFSA-N 1 0 455.607 3.758 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037946 1069759862 /nfs/dbraw/zinc/75/98/62/1069759862.db2.gz XXDLNFBEUDJHPF-UXHICEINSA-N 1 0 455.607 3.758 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058443 1069838896 /nfs/dbraw/zinc/83/88/96/1069838896.db2.gz NGDNOCXGEPVUMM-IRLDBZIGSA-N 1 0 456.591 3.634 20 5 JHBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001307648927 1070101043 /nfs/dbraw/zinc/10/10/43/1070101043.db2.gz CPDHRCQXMHHYQZ-WBVHZDCISA-N 1 0 450.536 3.557 20 5 JHBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001312823775 1070143702 /nfs/dbraw/zinc/14/37/02/1070143702.db2.gz QXFCODBGJQQAHZ-JOCHJYFZSA-N 1 0 451.571 3.729 20 5 JHBDRO CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314389584 1070241456 /nfs/dbraw/zinc/24/14/56/1070241456.db2.gz HOAOTYYFHLBKER-CPJSRVTESA-N 1 0 485.633 3.560 20 5 JHBDRO CCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001314432370 1070317126 /nfs/dbraw/zinc/31/71/26/1070317126.db2.gz CHCYCTWXEKLNIO-WOJBJXKFSA-N 1 0 456.591 3.981 20 5 JHBDRO CCOc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001308370082 1070362412 /nfs/dbraw/zinc/36/24/12/1070362412.db2.gz DQLUEKNACZPFHY-HRAATJIYSA-N 1 0 458.511 3.954 20 5 JHBDRO COC(=O)COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001308559748 1070389602 /nfs/dbraw/zinc/38/96/02/1070389602.db2.gz AXRMRLVKICLPDX-RUZDIDTESA-N 1 0 453.539 3.635 20 5 JHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247908 1070643082 /nfs/dbraw/zinc/64/30/82/1070643082.db2.gz CKVGNGWEFGMEFR-YOEHRIQHSA-N 1 0 457.474 3.803 20 5 JHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247906 1070643249 /nfs/dbraw/zinc/64/32/49/1070643249.db2.gz CKVGNGWEFGMEFR-RHSMWYFYSA-N 1 0 457.474 3.803 20 5 JHBDRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC001309270868 1070659012 /nfs/dbraw/zinc/65/90/12/1070659012.db2.gz NWNAAJAOVVAJNT-CQSZACIVSA-N 1 0 456.362 3.546 20 5 JHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001309283358 1070668343 /nfs/dbraw/zinc/66/83/43/1070668343.db2.gz PJLJCUMPFFMNFT-JIPZTSHUSA-N 1 0 451.976 3.992 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001313658917 1070860370 /nfs/dbraw/zinc/86/03/70/1070860370.db2.gz UKRXNYZFTKEEIA-LJQANCHMSA-N 1 0 483.642 3.967 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001313660173 1070864796 /nfs/dbraw/zinc/86/47/96/1070864796.db2.gz PCRIIKDCGZTQOZ-KRWDZBQOSA-N 1 0 470.553 3.761 20 5 JHBDRO CC[NH+](CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1)c1ccco1 ZINC001313675347 1070915891 /nfs/dbraw/zinc/91/58/91/1070915891.db2.gz SAJWOCQURKQTBF-VQTJNVASSA-N 1 0 454.531 3.755 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001313712335 1071008529 /nfs/dbraw/zinc/00/85/29/1071008529.db2.gz NYMGNOORPMSJSN-OAQYLSRUSA-N 1 0 454.531 3.756 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314832438 1071166221 /nfs/dbraw/zinc/16/62/21/1071166221.db2.gz LPKNLRGURIEBRL-UHFFFAOYSA-N 1 0 451.575 3.982 20 5 JHBDRO CC[N@H+](CCn1c(-c2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313807932 1071230969 /nfs/dbraw/zinc/23/09/69/1071230969.db2.gz FKAQDKWYYBUILZ-UHFFFAOYSA-N 1 0 470.553 3.761 20 5 JHBDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314991591 1071506717 /nfs/dbraw/zinc/50/67/17/1071506717.db2.gz WDLPVLWIDYYZRQ-QFIPXVFZSA-N 1 0 497.644 3.574 20 5 JHBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001313907652 1071528772 /nfs/dbraw/zinc/52/87/72/1071528772.db2.gz JKWWCOSLAZGZSF-NZQKXSOJSA-N 1 0 497.644 3.716 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313933229 1071597708 /nfs/dbraw/zinc/59/77/08/1071597708.db2.gz NUMQFCPYXWZTHF-QGZVFWFLSA-N 1 0 483.573 3.735 20 5 JHBDRO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@@H+](CC)C2)s1 ZINC001305995104 1068357930 /nfs/dbraw/zinc/35/79/30/1068357930.db2.gz HYBFRYHDQHLMOZ-MRXNPFEDSA-N 1 0 455.588 3.850 20 5 JHBDRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001306286671 1068704723 /nfs/dbraw/zinc/70/47/23/1068704723.db2.gz LJMRNUPIDAUJMY-ICSRJNTNSA-N 1 0 456.591 3.713 20 5 JHBDRO CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306328467 1068767584 /nfs/dbraw/zinc/76/75/84/1068767584.db2.gz JDFRDXNXIANOOV-WOJBJXKFSA-N 1 0 455.607 3.506 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001306406171 1068875557 /nfs/dbraw/zinc/87/55/57/1068875557.db2.gz KIRUNZAJOYRGJF-LJQANCHMSA-N 1 0 485.614 3.522 20 5 JHBDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306499609 1069055965 /nfs/dbraw/zinc/05/59/65/1069055965.db2.gz ONICASMNLQUDGN-IFMALSPDSA-N 1 0 497.644 3.859 20 5 JHBDRO COC(=O)c1cc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c([N+](=O)[O-])c1 ZINC001310681694 1069107122 /nfs/dbraw/zinc/10/71/22/1069107122.db2.gz UVQQAURAGRXIOX-UHFFFAOYSA-N 1 0 458.437 3.617 20 5 JHBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164681700 719652980 /nfs/dbraw/zinc/65/29/80/719652980.db2.gz QBVKTQJXXKEJKJ-UHFFFAOYSA-N 1 0 491.930 3.985 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)c2ccccc21 ZINC001164681403 719656579 /nfs/dbraw/zinc/65/65/79/719656579.db2.gz NSIXGSSQAPVGKH-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)c2ccccc21 ZINC001164686849 719665664 /nfs/dbraw/zinc/66/56/64/719665664.db2.gz XVSJBVUCPFWKEV-LJQANCHMSA-N 1 0 488.592 3.631 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)c2ccccc21 ZINC001164681501 719671961 /nfs/dbraw/zinc/67/19/61/719671961.db2.gz MCRZNEGPWSELLL-SFHVURJKSA-N 1 0 476.581 3.565 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)c2ccccc21 ZINC001164680402 719674223 /nfs/dbraw/zinc/67/42/23/719674223.db2.gz DOOUZTAMPXUHGD-SFHVURJKSA-N 1 0 476.581 3.565 20 5 JHBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001164812579 720236525 /nfs/dbraw/zinc/23/65/25/720236525.db2.gz GYFSLMGYHZBCBA-UHFFFAOYSA-N 1 0 456.934 3.604 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001164822287 720353517 /nfs/dbraw/zinc/35/35/17/720353517.db2.gz DFJJSVMRZHNJSS-MOPGFXCFSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838419 720521975 /nfs/dbraw/zinc/52/19/75/720521975.db2.gz QVEZPYULPJZRQI-HRCADAONSA-N 1 0 454.909 3.762 20 5 JHBDRO CCOc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752768 720899407 /nfs/dbraw/zinc/89/94/07/720899407.db2.gz FYOVDHFNXVGGKZ-PXDATVDWSA-N 1 0 467.570 3.539 20 5 JHBDRO CC(C)Oc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746506 720919582 /nfs/dbraw/zinc/91/95/82/720919582.db2.gz BCPCRYWXRFOZLY-NVQXNPDNSA-N 1 0 481.597 3.927 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892072 721451038 /nfs/dbraw/zinc/45/10/38/721451038.db2.gz WOSFPJWIXUNTHO-OFVILXPXSA-N 1 0 469.561 3.561 20 5 JHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000751077511 1069432439 /nfs/dbraw/zinc/43/24/39/1069432439.db2.gz YKGCJUHGNDRERR-APWZRJJASA-N 1 0 477.302 3.956 20 5 JHBDRO COc1cc(CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001311594606 1069456419 /nfs/dbraw/zinc/45/64/19/1069456419.db2.gz UHYKBXJKJZNXDH-FQEVSTJZSA-N 1 0 456.543 3.681 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(OC)CC2)C1 ZINC001307033759 1069748222 /nfs/dbraw/zinc/74/82/22/1069748222.db2.gz MEOXZHYYNPCNJB-CYFREDJKSA-N 1 0 456.591 3.981 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307057085 1069831391 /nfs/dbraw/zinc/83/13/91/1069831391.db2.gz VKGMNXCLLUYVGP-UNMCSNQZSA-N 1 0 483.617 3.613 20 5 JHBDRO Cn1ccnc1C(=O)c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC001307113835 1069894650 /nfs/dbraw/zinc/89/46/50/1069894650.db2.gz NPKMKGRSDAMMCS-UHFFFAOYSA-N 1 0 451.449 3.777 20 5 JHBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001312634347 1070055604 /nfs/dbraw/zinc/05/56/04/1070055604.db2.gz KTBZXSRFAVNCHF-GOSISDBHSA-N 1 0 459.616 3.881 20 5 JHBDRO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC001307573170 1070060014 /nfs/dbraw/zinc/06/00/14/1070060014.db2.gz HIOQKMZGINYCMY-UHFFFAOYSA-N 1 0 450.539 3.501 20 5 JHBDRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[NH+](C)C)cc1 ZINC001312807173 1070133874 /nfs/dbraw/zinc/13/38/74/1070133874.db2.gz WXUSXHVBQPPODX-QHCPKHFHSA-N 1 0 455.559 3.517 20 5 JHBDRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC001312815860 1070139640 /nfs/dbraw/zinc/13/96/40/1070139640.db2.gz ADVLAXSDQOHBCZ-DEOSSOPVSA-N 1 0 453.587 3.928 20 5 JHBDRO CCOCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001314344600 1070148848 /nfs/dbraw/zinc/14/88/48/1070148848.db2.gz DEYBXXWEAJGYHE-RTBURBONSA-N 1 0 488.637 3.517 20 5 JHBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(Br)cc1 ZINC001307860045 1070213840 /nfs/dbraw/zinc/21/38/40/1070213840.db2.gz KBWWPJSUOWDDBX-DLBZAZTESA-N 1 0 476.327 3.575 20 5 JHBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308009387 1070278214 /nfs/dbraw/zinc/27/82/14/1070278214.db2.gz RIBSTIKIALVZLZ-WDNCENIBSA-N 1 0 452.555 3.774 20 5 JHBDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362704 1070361325 /nfs/dbraw/zinc/36/13/25/1070361325.db2.gz DSTYDPIYJXQJIA-LIRRHRJNSA-N 1 0 451.308 3.810 20 5 JHBDRO C[NH+](C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CCCO)CC2)CCCC1 ZINC001314654240 1070768451 /nfs/dbraw/zinc/76/84/51/1070768451.db2.gz XWLVJDQXCALSJF-UHFFFAOYSA-N 1 0 456.591 3.717 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001313658916 1070860298 /nfs/dbraw/zinc/86/02/98/1070860298.db2.gz UKRXNYZFTKEEIA-IBGZPJMESA-N 1 0 483.642 3.967 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313661648 1070868815 /nfs/dbraw/zinc/86/88/15/1070868815.db2.gz GLRNDNIWRJLYSB-HXUWFJFHSA-N 1 0 478.601 3.614 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001314748987 1070998306 /nfs/dbraw/zinc/99/83/06/1070998306.db2.gz FRHGGUMUDLRTRV-UHFFFAOYSA-N 1 0 492.584 3.735 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314833143 1071169229 /nfs/dbraw/zinc/16/92/29/1071169229.db2.gz IFZVNJLQJOVRKQ-FQEVSTJZSA-N 1 0 456.591 3.634 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1CC[NH+]1CCCCCC1 ZINC001314834013 1071171417 /nfs/dbraw/zinc/17/14/17/1071171417.db2.gz PPNVPHVSTUMWNH-UHFFFAOYSA-N 1 0 463.586 3.727 20 5 JHBDRO CN(CCOC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314877138 1071294571 /nfs/dbraw/zinc/29/45/71/1071294571.db2.gz HDYBTZRLQXYCKT-QFIPXVFZSA-N 1 0 462.620 3.542 20 5 JHBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001310423307 1071382009 /nfs/dbraw/zinc/38/20/09/1071382009.db2.gz JBNCTMVIVQLGBP-UHFFFAOYSA-N 1 0 453.543 3.814 20 5 JHBDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC[NH+](CC)CC1 ZINC001313876949 1071440018 /nfs/dbraw/zinc/44/00/18/1071440018.db2.gz OWBDCBZIHUPAGV-QFIPXVFZSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001313893724 1071491043 /nfs/dbraw/zinc/49/10/43/1071491043.db2.gz FIQVFUQCSZHSPG-QFIPXVFZSA-N 1 0 463.586 3.929 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001313912629 1071540476 /nfs/dbraw/zinc/54/04/76/1071540476.db2.gz VNNPSZNWUKVOLT-NRFANRHFSA-N 1 0 451.575 3.745 20 5 JHBDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306043481 1068461489 /nfs/dbraw/zinc/46/14/89/1068461489.db2.gz QTCVZRDYIYYHPP-QZTJIDSGSA-N 1 0 480.617 3.679 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306319396 1068745446 /nfs/dbraw/zinc/74/54/46/1068745446.db2.gz LAVQSSYBCNBLPZ-OAQYLSRUSA-N 1 0 483.617 3.565 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001306320091 1068748114 /nfs/dbraw/zinc/74/81/14/1068748114.db2.gz PITDUUGCRJKMHL-RBBKRZOGSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)CC1 ZINC001310596497 1069039829 /nfs/dbraw/zinc/03/98/29/1069039829.db2.gz LMTKQCSWZACKRH-UHFFFAOYSA-N 1 0 453.543 3.812 20 5 JHBDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCCC2)C1 ZINC001306498994 1069052662 /nfs/dbraw/zinc/05/26/62/1069052662.db2.gz MWIOGALSIUGQCZ-OAQYLSRUSA-N 1 0 483.617 3.614 20 5 JHBDRO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CC[N@@H+]1CCOC ZINC001306616193 1069297670 /nfs/dbraw/zinc/29/76/70/1069297670.db2.gz FMXXUSZEQOLFQH-RXVVDRJESA-N 1 0 474.631 3.544 20 5 JHBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164618908 719020094 /nfs/dbraw/zinc/02/00/94/719020094.db2.gz USGPKGQTEHYOQB-DOPJRALCSA-N 1 0 466.872 3.585 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)c2ccccc21 ZINC001164681402 719656356 /nfs/dbraw/zinc/65/63/56/719656356.db2.gz NSIXGSSQAPVGKH-KRWDZBQOSA-N 1 0 471.989 3.737 20 5 JHBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3cc1COc1ccccc1[N+](=O)[O-])CC2 ZINC001164691056 719756095 /nfs/dbraw/zinc/75/60/95/719756095.db2.gz KQMQFKQCRUPCEP-UHFFFAOYSA-N 1 0 489.576 3.903 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164712705 720141101 /nfs/dbraw/zinc/14/11/01/720141101.db2.gz OMQDHRUZOQXFMX-QHCPKHFHSA-N 1 0 474.565 3.954 20 5 JHBDRO CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816805 720180660 /nfs/dbraw/zinc/18/06/60/720180660.db2.gz MUBWIJNBGGGPIQ-NLFFAJNJSA-N 1 0 451.571 3.799 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164826530 720349043 /nfs/dbraw/zinc/34/90/43/720349043.db2.gz KFUMMHNKHPOPSL-NHCUHLMSSA-N 1 0 484.988 3.617 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001164828861 720354024 /nfs/dbraw/zinc/35/40/24/720354024.db2.gz QJAUWUKHEVTWFI-NHCUHLMSSA-N 1 0 467.545 3.707 20 5 JHBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164734499 720463020 /nfs/dbraw/zinc/46/30/20/720463020.db2.gz SXDSRUQEAGIXOZ-OALUTQOASA-N 1 0 490.593 3.709 20 5 JHBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])C1 ZINC001164726797 720515114 /nfs/dbraw/zinc/51/51/14/720515114.db2.gz DWMFULMRIOFFNK-CQSZACIVSA-N 1 0 460.897 3.969 20 5 JHBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001164734969 720534859 /nfs/dbraw/zinc/53/48/59/720534859.db2.gz LXOMDTFBSVWMIW-AWEZNQCLSA-N 1 0 477.903 3.645 20 5 JHBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838765 720618824 /nfs/dbraw/zinc/61/88/24/720618824.db2.gz LPWNYGDVPGJBEL-MDNUFGMLSA-N 1 0 461.570 3.935 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164841038 720649099 /nfs/dbraw/zinc/64/90/99/720649099.db2.gz OSPZKAIVFCIRCE-AYBZRNKSSA-N 1 0 455.950 3.766 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840407 720677347 /nfs/dbraw/zinc/67/73/47/720677347.db2.gz MGKKUXGRYVKSRU-OAHLLOKOSA-N 1 0 452.342 3.952 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737484 720765828 /nfs/dbraw/zinc/76/58/28/720765828.db2.gz BVYARYLPVLNBQO-ROUUACIJSA-N 1 0 489.561 3.707 20 5 JHBDRO Cc1c(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753466 720893807 /nfs/dbraw/zinc/89/38/07/720893807.db2.gz GWRVMZMGRVXJKR-WIOPSUGQSA-N 1 0 451.571 3.757 20 5 JHBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164752064 720931443 /nfs/dbraw/zinc/93/14/43/720931443.db2.gz NALKBMCJULMNMX-LVXARBLLSA-N 1 0 474.565 3.688 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780387 721376230 /nfs/dbraw/zinc/37/62/30/721376230.db2.gz GQDYHQAXGCEDLR-XMMPIXPASA-N 1 0 451.527 3.867 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788814 721473307 /nfs/dbraw/zinc/47/33/07/721473307.db2.gz LJGXLRBIIKMHSG-JOCHJYFZSA-N 1 0 454.571 3.877 20 5 JHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907422 721586746 /nfs/dbraw/zinc/58/67/46/721586746.db2.gz SKUPPNYTSDFRJD-SFHVURJKSA-N 1 0 470.933 3.893 20 5 JHBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001164936259 721889548 /nfs/dbraw/zinc/88/95/48/721889548.db2.gz YWEMUWPIZXZBIF-PKTZIBPZSA-N 1 0 461.566 3.937 20 5 JHBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962430 722054507 /nfs/dbraw/zinc/05/45/07/722054507.db2.gz DMYPGIDYXFZUPG-UHFFFAOYSA-N 1 0 468.945 3.705 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971215 722155158 /nfs/dbraw/zinc/15/51/58/722155158.db2.gz BCRSDJVNFPFCHF-PGRDOPGGSA-N 1 0 453.930 3.919 20 5 JHBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001311548695 1069434106 /nfs/dbraw/zinc/43/41/06/1069434106.db2.gz QKYSFKVZCJSEFJ-UHFFFAOYSA-N 1 0 459.494 3.860 20 5 JHBDRO Cc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001306986231 1069694222 /nfs/dbraw/zinc/69/42/22/1069694222.db2.gz DXRUPNVKOUGCFO-UHFFFAOYSA-N 1 0 452.603 3.993 20 5 JHBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c([N+](=O)[O-])c1 ZINC001307176894 1069904732 /nfs/dbraw/zinc/90/47/32/1069904732.db2.gz LRPKBMMFICTERE-IBGZPJMESA-N 1 0 458.584 3.559 20 5 JHBDRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](C)C)cc1 ZINC001312815862 1070139783 /nfs/dbraw/zinc/13/97/83/1070139783.db2.gz ADVLAXSDQOHBCZ-XMMPIXPASA-N 1 0 453.587 3.928 20 5 JHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001307714510 1070140637 /nfs/dbraw/zinc/14/06/37/1070140637.db2.gz FZSAZAYWYTXPEX-RDPSFJRHSA-N 1 0 452.555 3.627 20 5 JHBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001312826220 1070144648 /nfs/dbraw/zinc/14/46/48/1070144648.db2.gz ZJJZZVBPWCIAEY-QFIPXVFZSA-N 1 0 451.571 3.729 20 5 JHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001307994155 1070273125 /nfs/dbraw/zinc/27/31/25/1070273125.db2.gz YFCHSZAMRRYCEY-MRXNPFEDSA-N 1 0 450.536 3.701 20 5 JHBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC001313238216 1070301716 /nfs/dbraw/zinc/30/17/16/1070301716.db2.gz GUDQSLMHZONFBF-GOSISDBHSA-N 1 0 455.559 3.982 20 5 JHBDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001308329466 1070357149 /nfs/dbraw/zinc/35/71/49/1070357149.db2.gz ARKUYLKEHXIPMM-OAHLLOKOSA-N 1 0 453.280 3.577 20 5 JHBDRO COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1O ZINC001308376336 1070363924 /nfs/dbraw/zinc/36/39/24/1070363924.db2.gz LNSSJVCUTMPMLS-UHFFFAOYSA-N 1 0 453.417 3.722 20 5 JHBDRO CCOc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001308370084 1070362283 /nfs/dbraw/zinc/36/22/83/1070362283.db2.gz DQLUEKNACZPFHY-IERDGZPVSA-N 1 0 458.511 3.954 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1C(C)(C)C ZINC001313453759 1070385994 /nfs/dbraw/zinc/38/59/94/1070385994.db2.gz VQGGMQQSSFZRER-IBGZPJMESA-N 1 0 455.607 3.685 20 5 JHBDRO C[N@H+](CCN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC001308616664 1070402539 /nfs/dbraw/zinc/40/25/39/1070402539.db2.gz ZMKQQNIAEIVOGT-UHFFFAOYSA-N 1 0 453.406 3.668 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001314654957 1070771011 /nfs/dbraw/zinc/77/10/11/1070771011.db2.gz YKWGJWHEVFKICG-SFHVURJKSA-N 1 0 472.619 3.886 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC001314656538 1070774441 /nfs/dbraw/zinc/77/44/41/1070774441.db2.gz PSNZMBGFCXLHNH-FQEVSTJZSA-N 1 0 498.657 3.861 20 5 JHBDRO C[NH+](C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCCCC2)C1 ZINC001314671212 1070813991 /nfs/dbraw/zinc/81/39/91/1070813991.db2.gz OVORBKYSWNGIRX-UHFFFAOYSA-N 1 0 474.631 3.688 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001313658991 1070861583 /nfs/dbraw/zinc/86/15/83/1070861583.db2.gz VXNPLLYNKXTVTJ-RXVVDRJESA-N 1 0 465.558 3.636 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314749003 1070998982 /nfs/dbraw/zinc/99/89/82/1070998982.db2.gz GBUTVOFNIQAXOF-UHFFFAOYSA-N 1 0 463.586 3.931 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001313722915 1071027918 /nfs/dbraw/zinc/02/79/18/1071027918.db2.gz IDVOIQFUQFICPD-XMSQKQJNSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313806576 1071225171 /nfs/dbraw/zinc/22/51/71/1071225171.db2.gz VJGMALZYEBZAQE-UHFFFAOYSA-N 1 0 478.601 3.607 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313813166 1071253575 /nfs/dbraw/zinc/25/35/75/1071253575.db2.gz RQXUXHMGEILBTR-UHFFFAOYSA-N 1 0 478.601 3.614 20 5 JHBDRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC001314864184 1071262398 /nfs/dbraw/zinc/26/23/98/1071262398.db2.gz MLPMLFSJIHGSHU-UHFFFAOYSA-N 1 0 469.634 3.976 20 5 JHBDRO CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001313874983 1071431428 /nfs/dbraw/zinc/43/14/28/1071431428.db2.gz CSXQAOLQCPJCFM-UHFFFAOYSA-N 1 0 455.607 3.758 20 5 JHBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313877196 1071440786 /nfs/dbraw/zinc/44/07/86/1071440786.db2.gz RCTHQDCZXXICET-QFIPXVFZSA-N 1 0 456.591 3.981 20 5 JHBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313957041 1071659427 /nfs/dbraw/zinc/65/94/27/1071659427.db2.gz CBNSSWLNUSTARM-OAQYLSRUSA-N 1 0 469.634 3.753 20 5 JHBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313958841 1071665141 /nfs/dbraw/zinc/66/51/41/1071665141.db2.gz WZRGNAFCOYBAHK-UHFFFAOYSA-N 1 0 469.615 3.579 20 5 JHBDRO CCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001306149325 1068551512 /nfs/dbraw/zinc/55/15/12/1068551512.db2.gz ZSBYUTOBZWKKGC-QFIPXVFZSA-N 1 0 456.591 3.917 20 5 JHBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC001306190102 1068582418 /nfs/dbraw/zinc/58/24/18/1068582418.db2.gz AZFYJRQSPPMDDX-UHFFFAOYSA-N 1 0 453.724 3.800 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001306320185 1068747945 /nfs/dbraw/zinc/74/79/45/1068747945.db2.gz RCVMIDQWTYNXNM-CTNGQTDRSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001306320186 1068748276 /nfs/dbraw/zinc/74/82/76/1068748276.db2.gz RCVMIDQWTYNXNM-FPOVZHCZSA-N 1 0 456.591 3.981 20 5 JHBDRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001310797159 1069166366 /nfs/dbraw/zinc/16/63/66/1069166366.db2.gz FSQKXWJLDQBLSO-UHFFFAOYSA-N 1 0 453.515 3.578 20 5 JHBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679991 719654032 /nfs/dbraw/zinc/65/40/32/719654032.db2.gz BUSGKNDMBKFYTO-UHFFFAOYSA-N 1 0 491.930 3.985 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC2)c2ccccc21 ZINC001164681743 719661419 /nfs/dbraw/zinc/66/14/19/719661419.db2.gz QNSOTOUTHBUOBJ-IBGZPJMESA-N 1 0 488.592 3.631 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cc([N+](=O)[O-])ccc43)CC2)c2ccccc21 ZINC001164682117 719666315 /nfs/dbraw/zinc/66/63/15/719666315.db2.gz PEXXQHOEDXGMGN-IBGZPJMESA-N 1 0 488.592 3.631 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164712142 720099683 /nfs/dbraw/zinc/09/96/83/720099683.db2.gz VYIBDBCDFNBSGJ-INIZCTEOSA-N 1 0 479.006 3.663 20 5 JHBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818793 720189194 /nfs/dbraw/zinc/18/91/94/720189194.db2.gz UQTFSVKROBPTRT-JPYJTQIMSA-N 1 0 457.962 3.890 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001164820522 720313203 /nfs/dbraw/zinc/31/32/03/720313203.db2.gz HIAGSSILJWBNGQ-RTBURBONSA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164822433 720340024 /nfs/dbraw/zinc/34/00/24/720340024.db2.gz DPFPMFJCFJDJJQ-VQTJNVASSA-N 1 0 457.962 3.708 20 5 JHBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838764 720617477 /nfs/dbraw/zinc/61/74/77/720617477.db2.gz LPWNYGDVPGJBEL-AKIFATBCSA-N 1 0 461.570 3.935 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835563 720630502 /nfs/dbraw/zinc/63/05/02/720630502.db2.gz BGXDLHKGKMYGHH-CNNODRBYSA-N 1 0 465.533 3.765 20 5 JHBDRO CN(C)/C=C\c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839690 720710098 /nfs/dbraw/zinc/71/00/98/720710098.db2.gz MOKNLXKROUVKRI-REBWPMHBSA-N 1 0 451.571 3.782 20 5 JHBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cnc1Cl ZINC001164844732 720741402 /nfs/dbraw/zinc/74/14/02/720741402.db2.gz SRKAJPLHWGLPSJ-UHFFFAOYSA-N 1 0 475.887 3.546 20 5 JHBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752171 720805316 /nfs/dbraw/zinc/80/53/16/720805316.db2.gz ZANKVTRRROOPPQ-FCHUYYIVSA-N 1 0 498.543 3.854 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164786387 721455586 /nfs/dbraw/zinc/45/55/86/721455586.db2.gz MGZOBQWCDIQQKM-SFHVURJKSA-N 1 0 452.983 3.686 20 5 JHBDRO COc1cc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907419 721704804 /nfs/dbraw/zinc/70/48/04/721704804.db2.gz RTLWCPPPPWXIKB-JOCHJYFZSA-N 1 0 470.480 3.679 20 5 JHBDRO CN(C)/C=C/c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907385 721723424 /nfs/dbraw/zinc/72/34/24/721723424.db2.gz RJNZWMZVAYMEPB-MOVYNIQHSA-N 1 0 458.513 3.655 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973853 722125981 /nfs/dbraw/zinc/12/59/81/722125981.db2.gz HMLPEVIRMNHVRE-UWJYYQICSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001306682041 1069412586 /nfs/dbraw/zinc/41/25/86/1069412586.db2.gz AMUJPGASPSZDON-MAUKXSAKSA-N 1 0 470.496 3.741 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001306724230 1069465247 /nfs/dbraw/zinc/46/52/47/1069465247.db2.gz XRYRLPFZRRXNQI-OAQYLSRUSA-N 1 0 485.633 3.859 20 5 JHBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001306908715 1069681931 /nfs/dbraw/zinc/68/19/31/1069681931.db2.gz NVTWKKDJRRPQOE-HXUWFJFHSA-N 1 0 458.584 3.846 20 5 JHBDRO C[N@@H+]1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1Cc1ccccc1 ZINC001307750636 1070165794 /nfs/dbraw/zinc/16/57/94/1070165794.db2.gz VLFQSLAXMNLWAH-FQEVSTJZSA-N 1 0 451.552 3.516 20 5 JHBDRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001308264293 1070348501 /nfs/dbraw/zinc/34/85/01/1070348501.db2.gz LCVLREWSAWPIBS-UHFFFAOYSA-N 1 0 455.536 3.647 20 5 JHBDRO C[C@@H]1[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001308425405 1070373465 /nfs/dbraw/zinc/37/34/65/1070373465.db2.gz HYQSCCCYAJKVCB-AUUYWEPGSA-N 1 0 451.308 3.952 20 5 JHBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001309127400 1070553249 /nfs/dbraw/zinc/55/32/49/1070553249.db2.gz MDNSIJJXOWURPM-UHFFFAOYSA-N 1 0 459.490 3.929 20 5 JHBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1F ZINC001309163384 1070579501 /nfs/dbraw/zinc/57/95/01/1070579501.db2.gz JMPRDEMECCKBSN-UHFFFAOYSA-N 1 0 455.939 3.886 20 5 JHBDRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC001309270865 1070658947 /nfs/dbraw/zinc/65/89/47/1070658947.db2.gz NWNAAJAOVVAJNT-AWEZNQCLSA-N 1 0 456.362 3.546 20 5 JHBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313548408 1070661115 /nfs/dbraw/zinc/66/11/15/1070661115.db2.gz LIVZYSIAGGAAAF-HXUWFJFHSA-N 1 0 497.644 3.813 20 5 JHBDRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426891 1070763288 /nfs/dbraw/zinc/76/32/88/1070763288.db2.gz GCBILDJZOFIZDT-GOSISDBHSA-N 1 0 457.474 3.803 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001314654956 1070771063 /nfs/dbraw/zinc/77/10/63/1070771063.db2.gz YKWGJWHEVFKICG-GOSISDBHSA-N 1 0 472.619 3.886 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001313658989 1070861533 /nfs/dbraw/zinc/86/15/33/1070861533.db2.gz VXNPLLYNKXTVTJ-GHTZIAJQSA-N 1 0 465.558 3.636 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314749810 1071000422 /nfs/dbraw/zinc/00/04/22/1071000422.db2.gz PNWZPTONKDHSPG-OAQYLSRUSA-N 1 0 461.526 3.704 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313725318 1071032512 /nfs/dbraw/zinc/03/25/12/1071032512.db2.gz WJGRCCMCRZRDRS-IIDMSEBBSA-N 1 0 470.496 3.740 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314834237 1071172927 /nfs/dbraw/zinc/17/29/27/1071172927.db2.gz SCTNKOZEVVRLMQ-QUCCMNQESA-N 1 0 470.599 3.734 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C)C(C)C ZINC001313804955 1071218119 /nfs/dbraw/zinc/21/81/19/1071218119.db2.gz HCXUMXQYUZGEEW-UHFFFAOYSA-N 1 0 454.579 3.570 20 5 JHBDRO CN(CCOC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314877137 1071294567 /nfs/dbraw/zinc/29/45/67/1071294567.db2.gz HDYBTZRLQXYCKT-JOCHJYFZSA-N 1 0 462.620 3.542 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859336 1071363628 /nfs/dbraw/zinc/36/36/28/1071363628.db2.gz FZZXEXDISZAMBM-IRXDYDNUSA-N 1 0 455.588 3.862 20 5 JHBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313957037 1071659534 /nfs/dbraw/zinc/65/95/34/1071659534.db2.gz CBNSSWLNUSTARM-NRFANRHFSA-N 1 0 469.634 3.753 20 5 JHBDRO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001306028347 1068425144 /nfs/dbraw/zinc/42/51/44/1068425144.db2.gz AXGILURTUULMQS-NRFANRHFSA-N 1 0 499.641 3.865 20 5 JHBDRO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001306198652 1068591342 /nfs/dbraw/zinc/59/13/42/1068591342.db2.gz NDDJYBTVSIOXLC-HXUWFJFHSA-N 1 0 455.607 3.587 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001306320187 1068748083 /nfs/dbraw/zinc/74/80/83/1068748083.db2.gz RCVMIDQWTYNXNM-PZJWPPBQSA-N 1 0 456.591 3.981 20 5 JHBDRO C[NH+]1CCC2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(I)c3)CC2)CC1 ZINC001310710917 1069126760 /nfs/dbraw/zinc/12/67/60/1069126760.db2.gz FIEMPMJBGLLEQN-UHFFFAOYSA-N 1 0 458.300 3.539 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164712144 720098995 /nfs/dbraw/zinc/09/89/95/720098995.db2.gz VYIBDBCDFNBSGJ-MRXNPFEDSA-N 1 0 479.006 3.663 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001164827297 720324220 /nfs/dbraw/zinc/32/42/20/720324220.db2.gz HJRKGWIGNYCKJS-WOJBJXKFSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21 ZINC001164838420 720522102 /nfs/dbraw/zinc/52/21/02/720522102.db2.gz QVEZPYULPJZRQI-JYJNAYRXSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838572 720524685 /nfs/dbraw/zinc/52/46/85/720524685.db2.gz RRQALQIVXWIOTA-KNBMTAEXSA-N 1 0 455.950 3.766 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838358 720608157 /nfs/dbraw/zinc/60/81/57/720608157.db2.gz KUBKSEBRFODJCH-HZSPNIEDSA-N 1 0 473.887 3.631 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742606 720824334 /nfs/dbraw/zinc/82/43/34/720824334.db2.gz QCJPORPGLFFOKD-ABSDTBQOSA-N 1 0 467.961 3.767 20 5 JHBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759606 721046860 /nfs/dbraw/zinc/04/68/60/721046860.db2.gz PQSHGMXSZVZPLQ-UHFFFAOYSA-N 1 0 452.559 3.843 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164783230 721457442 /nfs/dbraw/zinc/45/74/42/721457442.db2.gz AHFXZHFQWLJQAG-GOSISDBHSA-N 1 0 452.983 3.686 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908560 721554501 /nfs/dbraw/zinc/55/45/01/721554501.db2.gz QIQTWOZVRDENOH-AAEUAGOBSA-N 1 0 461.803 3.538 20 5 JHBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164965503 722062342 /nfs/dbraw/zinc/06/23/42/722062342.db2.gz KJVGOOPRWPALGO-UHFFFAOYSA-N 1 0 468.945 3.705 20 5 JHBDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001306660882 1069380272 /nfs/dbraw/zinc/38/02/72/1069380272.db2.gz AFEMPCFSNFTXAR-HXUWFJFHSA-N 1 0 497.644 3.670 20 5 JHBDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001306662586 1069383948 /nfs/dbraw/zinc/38/39/48/1069383948.db2.gz VWMNWOJWUNIUOO-UHFFFAOYSA-N 1 0 495.628 3.590 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001306731930 1069487844 /nfs/dbraw/zinc/48/78/44/1069487844.db2.gz TVKSREIEPYRYQM-QFIPXVFZSA-N 1 0 456.591 3.940 20 5 JHBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686793 1069503148 /nfs/dbraw/zinc/50/31/48/1069503148.db2.gz ALRPAZZBICUDNV-CVEARBPZSA-N 1 0 457.497 3.566 20 5 JHBDRO CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCCCC2)CC1=O ZINC001307061612 1069853717 /nfs/dbraw/zinc/85/37/17/1069853717.db2.gz LPAIGTQGAVXRSH-UHFFFAOYSA-N 1 0 483.617 3.567 20 5 JHBDRO COC(=O)/C=C/c1ccc(NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001307124300 1069897055 /nfs/dbraw/zinc/89/70/55/1069897055.db2.gz MEMGQTOWALSABF-UXBLZVDNSA-N 1 0 452.511 3.816 20 5 JHBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001312823779 1070143629 /nfs/dbraw/zinc/14/36/29/1070143629.db2.gz QXFCODBGJQQAHZ-QFIPXVFZSA-N 1 0 451.571 3.729 20 5 JHBDRO CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314389586 1070241966 /nfs/dbraw/zinc/24/19/66/1070241966.db2.gz HOAOTYYFHLBKER-NBGIEHNGSA-N 1 0 485.633 3.560 20 5 JHBDRO O=C(NCc1nnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1)OCc1ccccc1 ZINC001307958203 1070257770 /nfs/dbraw/zinc/25/77/70/1070257770.db2.gz SATGPJHSGFLCHO-UHFFFAOYSA-N 1 0 450.499 3.519 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313447512 1070367369 /nfs/dbraw/zinc/36/73/69/1070367369.db2.gz KJZPOXKKJSHXLP-FCHUYYIVSA-N 1 0 456.591 3.979 20 5 JHBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)cc1[N+](=O)[O-] ZINC001308495424 1070381621 /nfs/dbraw/zinc/38/16/21/1070381621.db2.gz YXGKCCCYYSTSFP-UHFFFAOYSA-N 1 0 459.506 3.704 20 5 JHBDRO COc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC001308958432 1070466136 /nfs/dbraw/zinc/46/61/36/1070466136.db2.gz NEHQMRCCNPEYMJ-QGZVFWFLSA-N 1 0 459.490 3.982 20 5 JHBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001309184304 1070591325 /nfs/dbraw/zinc/59/13/25/1070591325.db2.gz VUNPSISJDOMKNN-UHFFFAOYSA-N 1 0 453.948 3.510 20 5 JHBDRO C[C@@H]1C[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1Cc1ccccc1 ZINC001309322355 1070698118 /nfs/dbraw/zinc/69/81/18/1070698118.db2.gz NCTMWRAJEZTRSX-ZBFHGGJFSA-N 1 0 455.939 3.966 20 5 JHBDRO CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001313637860 1070777180 /nfs/dbraw/zinc/77/71/80/1070777180.db2.gz OUOGFDUVNWTUHD-UHFFFAOYSA-N 1 0 497.644 3.957 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313657130 1070854406 /nfs/dbraw/zinc/85/44/06/1070854406.db2.gz JTRZGACUTJYHFP-UXHICEINSA-N 1 0 499.660 3.962 20 5 JHBDRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314720461 1070914774 /nfs/dbraw/zinc/91/47/74/1070914774.db2.gz ASYBOWNMDNKGPS-UHFFFAOYSA-N 1 0 499.019 3.564 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313713195 1071010416 /nfs/dbraw/zinc/01/04/16/1071010416.db2.gz ZYXSKOSMQQTPED-UHFFFAOYSA-N 1 0 467.574 3.813 20 5 JHBDRO CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314788767 1071065262 /nfs/dbraw/zinc/06/52/62/1071065262.db2.gz JDAIEHRAUALBBN-FQEVSTJZSA-N 1 0 467.618 3.672 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)CCC(F)(F)F ZINC001313806692 1071224963 /nfs/dbraw/zinc/22/49/63/1071224963.db2.gz XPNDTMSYDGHVKL-UHFFFAOYSA-N 1 0 470.496 3.743 20 5 JHBDRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001313816442 1071262666 /nfs/dbraw/zinc/26/26/66/1071262666.db2.gz DACVULJYUHZJBJ-UHFFFAOYSA-N 1 0 455.607 3.586 20 5 JHBDRO CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313818628 1071269588 /nfs/dbraw/zinc/26/95/88/1071269588.db2.gz NRYJBEHUFWOOFR-UHFFFAOYSA-N 1 0 484.580 3.685 20 5 JHBDRO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cn1 ZINC001313836522 1071317351 /nfs/dbraw/zinc/31/73/51/1071317351.db2.gz OGOOTIGYWDZFFU-UHFFFAOYSA-N 1 0 496.616 3.596 20 5 JHBDRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001313893014 1071489411 /nfs/dbraw/zinc/48/94/11/1071489411.db2.gz BHXISHFFDSTKMQ-HXUWFJFHSA-N 1 0 454.600 3.859 20 5 JHBDRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001313893723 1071491081 /nfs/dbraw/zinc/49/10/81/1071491081.db2.gz FIQVFUQCSZHSPG-JOCHJYFZSA-N 1 0 463.586 3.929 20 5 JHBDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306043479 1068461612 /nfs/dbraw/zinc/46/16/12/1068461612.db2.gz QTCVZRDYIYYHPP-MSOLQXFVSA-N 1 0 480.617 3.679 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC001164680045 719665102 /nfs/dbraw/zinc/66/51/02/719665102.db2.gz CWQKFBXSVWFFBN-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cc([N+](=O)[O-])ccc43)CC2)c2ccccc21 ZINC001164682130 719665732 /nfs/dbraw/zinc/66/57/32/719665732.db2.gz PEXXQHOEDXGMGN-LJQANCHMSA-N 1 0 488.592 3.631 20 5 JHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683289 719671353 /nfs/dbraw/zinc/67/13/53/719671353.db2.gz RGNIIHPDKHRHAM-HXUWFJFHSA-N 1 0 465.598 3.700 20 5 JHBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)CC2 ZINC001164690253 719742574 /nfs/dbraw/zinc/74/25/74/719742574.db2.gz WWBFTLIZSAZQLU-UHFFFAOYSA-N 1 0 480.594 3.756 20 5 JHBDRO CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164816803 720181064 /nfs/dbraw/zinc/18/10/64/720181064.db2.gz MUBWIJNBGGGPIQ-NBGIEHNGSA-N 1 0 451.571 3.799 20 5 JHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1Cl ZINC001164842954 720741273 /nfs/dbraw/zinc/74/12/73/720741273.db2.gz GNYARKJEVYILQV-UHFFFAOYSA-N 1 0 475.887 3.546 20 5 JHBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852386 720855342 /nfs/dbraw/zinc/85/53/42/720855342.db2.gz COQMLMCIAGZNNS-VFNWGFHPSA-N 1 0 480.924 3.748 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749314 720858209 /nfs/dbraw/zinc/85/82/09/720858209.db2.gz MZSBUHMFURYCHB-BHDDXSALSA-N 1 0 459.554 3.628 20 5 JHBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164861561 720890929 /nfs/dbraw/zinc/89/09/29/720890929.db2.gz PTQISFQOLWNYQZ-QFQXNSOFSA-N 1 0 492.576 3.896 20 5 JHBDRO CCOc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752772 720899587 /nfs/dbraw/zinc/89/95/87/720899587.db2.gz FYOVDHFNXVGGKZ-SQJMNOBHSA-N 1 0 467.570 3.539 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890780 721435410 /nfs/dbraw/zinc/43/54/10/721435410.db2.gz FSBCNRPVGLBOOD-FDDCHVKYSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164788638 721454681 /nfs/dbraw/zinc/45/46/81/721454681.db2.gz RUJQHRGSGNEKQK-QGZVFWFLSA-N 1 0 488.963 3.922 20 5 JHBDRO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812009 721583563 /nfs/dbraw/zinc/58/35/63/721583563.db2.gz ZNJLNMJEOQGJOA-GIFXNVAJSA-N 1 0 474.565 3.877 20 5 JHBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001306928338 1069684777 /nfs/dbraw/zinc/68/47/77/1069684777.db2.gz QWHLOUJVZSDDSJ-UHFFFAOYSA-N 1 0 456.344 3.562 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001307036410 1069757230 /nfs/dbraw/zinc/75/72/30/1069757230.db2.gz YHFCDTYCXQNHQN-FQEVSTJZSA-N 1 0 497.644 3.668 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001307054953 1069818064 /nfs/dbraw/zinc/81/80/64/1069818064.db2.gz MLRBBIPVIAQWNI-MOPGFXCFSA-N 1 0 482.507 3.885 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[N@@H+](C4CC4)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131020 1069898455 /nfs/dbraw/zinc/89/84/55/1069898455.db2.gz XXTAESKSRQQXPW-KRWDZBQOSA-N 1 0 458.584 3.933 20 5 JHBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307165119 1069902589 /nfs/dbraw/zinc/90/25/89/1069902589.db2.gz AYTINSSKBQLAEU-AVAKVYKDSA-N 1 0 452.621 3.984 20 5 JHBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC001307716020 1070141647 /nfs/dbraw/zinc/14/16/47/1070141647.db2.gz QKKPCKFEIRWBKR-JOCHJYFZSA-N 1 0 450.511 3.786 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001307748787 1070164804 /nfs/dbraw/zinc/16/48/04/1070164804.db2.gz QCIBIVRCRDASDG-FQEVSTJZSA-N 1 0 453.417 3.552 20 5 JHBDRO COc1cc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308194326 1070339437 /nfs/dbraw/zinc/33/94/37/1070339437.db2.gz VMKFRUYFCMXREV-UHFFFAOYSA-N 1 0 459.396 3.512 20 5 JHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434478 1070375440 /nfs/dbraw/zinc/37/54/40/1070375440.db2.gz XCPGRGQSFVOFKB-AUSIDOKSSA-N 1 0 452.511 3.926 20 5 JHBDRO COc1cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308502012 1070382549 /nfs/dbraw/zinc/38/25/49/1070382549.db2.gz WPSIEPCSNYUTHE-KRWDZBQOSA-N 1 0 450.360 3.831 20 5 JHBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001309132836 1070557548 /nfs/dbraw/zinc/55/75/48/1070557548.db2.gz PVPONRGXEZBZPI-UHFFFAOYSA-N 1 0 451.976 3.886 20 5 JHBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001309283356 1070667703 /nfs/dbraw/zinc/66/77/03/1070667703.db2.gz PJLJCUMPFFMNFT-HOTGVXAUSA-N 1 0 451.976 3.992 20 5 JHBDRO C[C@H]1C[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1Cc1ccccc1 ZINC001309322351 1070697431 /nfs/dbraw/zinc/69/74/31/1070697431.db2.gz NCTMWRAJEZTRSX-HOCLYGCPSA-N 1 0 455.939 3.966 20 5 JHBDRO Cc1cc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-] ZINC001309336254 1070706979 /nfs/dbraw/zinc/70/69/79/1070706979.db2.gz ZSKQZTKCVUVFAS-UHFFFAOYSA-N 1 0 455.939 3.982 20 5 JHBDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC001309403636 1070749599 /nfs/dbraw/zinc/74/95/99/1070749599.db2.gz WZPVTIPDHYZTTD-UGSOOPFHSA-N 1 0 456.362 3.635 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650285 1070757895 /nfs/dbraw/zinc/75/78/95/1070757895.db2.gz ZMKAHSKCHLHLFR-CTNGQTDRSA-N 1 0 499.616 3.687 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314650289 1070758055 /nfs/dbraw/zinc/75/80/55/1070758055.db2.gz ZMKAHSKCHLHLFR-PZJWPPBQSA-N 1 0 499.616 3.687 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313657256 1070854524 /nfs/dbraw/zinc/85/45/24/1070854524.db2.gz KCFQWUOHFIDWRL-SFHVURJKSA-N 1 0 484.630 3.757 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313669109 1070894145 /nfs/dbraw/zinc/89/41/45/1070894145.db2.gz BIORASHRIAHOMX-IBGZPJMESA-N 1 0 483.642 3.896 20 5 JHBDRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001313750478 1071082748 /nfs/dbraw/zinc/08/27/48/1071082748.db2.gz KNVBFLPWHQERJP-FQEVSTJZSA-N 1 0 464.530 3.509 20 5 JHBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001310095275 1071116280 /nfs/dbraw/zinc/11/62/80/1071116280.db2.gz PCZLCKPPJLCKST-BGYRXZFFSA-N 1 0 459.547 3.675 20 5 JHBDRO CCN(C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313789592 1071179727 /nfs/dbraw/zinc/17/97/27/1071179727.db2.gz YWKZYZZDTQLDMB-DLBZAZTESA-N 1 0 483.539 3.514 20 5 JHBDRO CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314858614 1071244937 /nfs/dbraw/zinc/24/49/37/1071244937.db2.gz LEXQSNDCGLKMNW-NRFANRHFSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313812477 1071250838 /nfs/dbraw/zinc/25/08/38/1071250838.db2.gz YRIRYBDFTKZBNW-UHFFFAOYSA-N 1 0 499.019 3.959 20 5 JHBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313894787 1071494044 /nfs/dbraw/zinc/49/40/44/1071494044.db2.gz COVPDKMASSFSEL-NRFANRHFSA-N 1 0 464.574 3.887 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313909390 1071532452 /nfs/dbraw/zinc/53/24/52/1071532452.db2.gz PEPWKBJIKMMZQA-QFIPXVFZSA-N 1 0 483.617 3.598 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934003 1071600391 /nfs/dbraw/zinc/60/03/91/1071600391.db2.gz RBKCTTZLAUWRAD-QZTJIDSGSA-N 1 0 487.605 3.545 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313952355 1071645124 /nfs/dbraw/zinc/64/51/24/1071645124.db2.gz ZJCMZGSKPBBPDZ-FQEVSTJZSA-N 1 0 469.634 3.896 20 5 JHBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC001306264297 1068677755 /nfs/dbraw/zinc/67/77/55/1068677755.db2.gz ZZZPEQFRMPCYGX-UHFFFAOYSA-N 1 0 456.506 3.834 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2C[C@H](F)C2)CC[N@@H+]1CCOC ZINC001306405941 1068875164 /nfs/dbraw/zinc/87/51/64/1068875164.db2.gz IKMAJSCHRRMXQQ-IHPCNDPISA-N 1 0 460.554 3.539 20 5 JHBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001310659528 1069092900 /nfs/dbraw/zinc/09/29/00/1069092900.db2.gz DLKVBCAOOXECAV-BBRMVZONSA-N 1 0 457.369 3.924 20 5 JHBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC001164617610 719032876 /nfs/dbraw/zinc/03/28/76/719032876.db2.gz NDZVQTMPTJZCKQ-UHFFFAOYSA-N 1 0 453.543 3.604 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)c2ccccc21 ZINC001164681500 719672373 /nfs/dbraw/zinc/67/23/73/719672373.db2.gz MCRZNEGPWSELLL-GOSISDBHSA-N 1 0 476.581 3.565 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164712509 720147312 /nfs/dbraw/zinc/14/73/12/720147312.db2.gz MXUDBLIUCRMMFA-HXUWFJFHSA-N 1 0 455.559 3.680 20 5 JHBDRO Cn1nnc2c1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719899 720183423 /nfs/dbraw/zinc/18/34/23/720183423.db2.gz YHKQRJUBMNZMBC-HXUWFJFHSA-N 1 0 478.000 3.781 20 5 JHBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752184 720804823 /nfs/dbraw/zinc/80/48/23/720804823.db2.gz ZANKVTRRROOPPQ-VXKWHMMOSA-N 1 0 498.543 3.854 20 5 JHBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164758171 720886292 /nfs/dbraw/zinc/88/62/92/720886292.db2.gz XJXYTZDWUXHNJZ-HFZDXXHNSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164752066 720930580 /nfs/dbraw/zinc/93/05/80/720930580.db2.gz NALKBMCJULMNMX-QFQXNSOFSA-N 1 0 474.565 3.688 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776408 721342639 /nfs/dbraw/zinc/34/26/39/721342639.db2.gz BECDSSSJDOETSZ-HSZRJFAPSA-N 1 0 486.960 3.915 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164786141 721377065 /nfs/dbraw/zinc/37/70/65/721377065.db2.gz SVTUEBSFDUXLHY-QHCPKHFHSA-N 1 0 486.960 3.915 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963151 722054919 /nfs/dbraw/zinc/05/49/19/722054919.db2.gz HPODZRNITWOOJE-UHFFFAOYSA-N 1 0 467.904 3.702 20 5 JHBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC001307415458 1069973357 /nfs/dbraw/zinc/97/33/57/1069973357.db2.gz XHKAHVDIWOFIJO-UHFFFAOYSA-N 1 0 456.518 3.708 20 5 JHBDRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307669595 1070113728 /nfs/dbraw/zinc/11/37/28/1070113728.db2.gz XYNBIUMYBULGJR-JOCHJYFZSA-N 1 0 450.564 3.879 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307709234 1070138821 /nfs/dbraw/zinc/13/88/21/1070138821.db2.gz XRHRKEZLLKWFKD-DOTOQJQBSA-N 1 0 450.536 3.605 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001307837787 1070206561 /nfs/dbraw/zinc/20/65/61/1070206561.db2.gz ZVDPXPGDBAYDNZ-PKOBYXMFSA-N 1 0 466.460 3.552 20 5 JHBDRO CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307872204 1070218242 /nfs/dbraw/zinc/21/82/42/1070218242.db2.gz OGPCATOHBGHUBA-MRXNPFEDSA-N 1 0 456.362 3.719 20 5 JHBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308119146 1070319894 /nfs/dbraw/zinc/31/98/94/1070319894.db2.gz YQPYKOMFTNANEK-SFHVURJKSA-N 1 0 456.724 3.533 20 5 JHBDRO C[C@@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308120933 1070320186 /nfs/dbraw/zinc/32/01/86/1070320186.db2.gz DWFKTGMYYIBZOB-NLJOTIRTSA-N 1 0 461.562 3.982 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC001308270502 1070349209 /nfs/dbraw/zinc/34/92/09/1070349209.db2.gz YIVCTEMBKCODBG-MRXNPFEDSA-N 1 0 453.417 3.534 20 5 JHBDRO COC(=O)COc1ccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC001308371324 1070362973 /nfs/dbraw/zinc/36/29/73/1070362973.db2.gz PCRMLRAVWIWMMY-UHFFFAOYSA-N 1 0 456.543 3.598 20 5 JHBDRO COc1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308371167 1070363342 /nfs/dbraw/zinc/36/33/42/1070363342.db2.gz BFENVGPSSCEAMT-UHFFFAOYSA-N 1 0 459.387 3.908 20 5 JHBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCC2)C1 ZINC001314624636 1070709997 /nfs/dbraw/zinc/70/99/97/1070709997.db2.gz SOZGCAFAIYYKAO-OAQYLSRUSA-N 1 0 499.616 3.785 20 5 JHBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCC(N)=O)CC1)C1CCCCC1 ZINC001314647885 1070751134 /nfs/dbraw/zinc/75/11/34/1070751134.db2.gz FXJBGFGDMJGGGR-QHCPKHFHSA-N 1 0 497.644 3.846 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001313667246 1070887984 /nfs/dbraw/zinc/88/79/84/1070887984.db2.gz KLDUIHCQOQZDAA-GOSISDBHSA-N 1 0 484.580 3.685 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCSCC1 ZINC001314749496 1070999684 /nfs/dbraw/zinc/99/96/84/1070999684.db2.gz NZOVTRDGOSVECR-UHFFFAOYSA-N 1 0 473.990 3.587 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313724268 1071030709 /nfs/dbraw/zinc/03/07/09/1071030709.db2.gz NJKCOGPDTPABDT-IEBWSBKVSA-N 1 0 482.589 3.734 20 5 JHBDRO CCCOc1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC001309987554 1071040242 /nfs/dbraw/zinc/04/02/42/1071040242.db2.gz CNUIAVMDYISVSU-UHFFFAOYSA-N 1 0 450.536 3.501 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314830648 1071162138 /nfs/dbraw/zinc/16/21/38/1071162138.db2.gz VETVXGSWTDYVMD-OAQYLSRUSA-N 1 0 451.575 3.981 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314834233 1071172904 /nfs/dbraw/zinc/17/29/04/1071172904.db2.gz SCTNKOZEVVRLMQ-AZUAARDMSA-N 1 0 470.599 3.734 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919715 1071557457 /nfs/dbraw/zinc/55/74/57/1071557457.db2.gz FRRSXQOWIOAKIS-PMACEKPBSA-N 1 0 469.634 3.752 20 5 JHBDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949045 1071635230 /nfs/dbraw/zinc/63/52/30/1071635230.db2.gz GZTHWUKIIKUMBT-SFHVURJKSA-N 1 0 498.657 3.528 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313954525 1071651858 /nfs/dbraw/zinc/65/18/58/1071651858.db2.gz PRJHDXQXUBVTEX-FQEVSTJZSA-N 1 0 455.607 3.507 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313955505 1071655391 /nfs/dbraw/zinc/65/53/91/1071655391.db2.gz VHBZPIMQAGWHRH-RUZDIDTESA-N 1 0 469.634 3.897 20 5 JHBDRO CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)cs1 ZINC001306029276 1068427033 /nfs/dbraw/zinc/42/70/33/1068427033.db2.gz HVZGRXKQSJINLU-UHFFFAOYSA-N 1 0 453.572 3.771 20 5 JHBDRO CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306196793 1068588837 /nfs/dbraw/zinc/58/88/37/1068588837.db2.gz JBGATNHNYPGJEL-OYRHEFFESA-N 1 0 469.634 3.833 20 5 JHBDRO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CC[N@@H+]1CCOC ZINC001306616189 1069297826 /nfs/dbraw/zinc/29/78/26/1069297826.db2.gz FMXXUSZEQOLFQH-GHTZIAJQSA-N 1 0 474.631 3.544 20 5 JHBDRO CC[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC001311246176 1069307346 /nfs/dbraw/zinc/30/73/46/1069307346.db2.gz VCGBKTOZZDRBLY-SFHVURJKSA-N 1 0 457.531 3.637 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164712507 720147816 /nfs/dbraw/zinc/14/78/16/720147816.db2.gz MXUDBLIUCRMMFA-FQEVSTJZSA-N 1 0 455.559 3.680 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164822431 720340112 /nfs/dbraw/zinc/34/01/12/720340112.db2.gz DPFPMFJCFJDJJQ-UXHICEINSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164838361 720607077 /nfs/dbraw/zinc/60/70/77/720607077.db2.gz KUBKSEBRFODJCH-RDBSUJKOSA-N 1 0 473.887 3.631 20 5 JHBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838766 720619322 /nfs/dbraw/zinc/61/93/22/720619322.db2.gz LPWNYGDVPGJBEL-YMPZKCBVSA-N 1 0 461.570 3.935 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748730 720858932 /nfs/dbraw/zinc/85/89/32/720858932.db2.gz LVWNJCAVQBEFIL-KSEOMHKRSA-N 1 0 477.544 3.767 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874499 721170641 /nfs/dbraw/zinc/17/06/41/721170641.db2.gz KEFUJTMAWDGNHJ-MOPGFXCFSA-N 1 0 466.929 3.580 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164784916 721459171 /nfs/dbraw/zinc/45/91/71/721459171.db2.gz KTPIRTTYPFSSPL-FQEVSTJZSA-N 1 0 454.571 3.877 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982692 722111713 /nfs/dbraw/zinc/11/17/13/722111713.db2.gz XRYXEVLVHPMPLT-YLJYHZDGSA-N 1 0 453.930 3.919 20 5 JHBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CCCCC1 ZINC001311398323 1069361692 /nfs/dbraw/zinc/36/16/92/1069361692.db2.gz VWGCLTVSIIRHPB-LJQANCHMSA-N 1 0 453.381 3.936 20 5 JHBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001306682040 1069411761 /nfs/dbraw/zinc/41/17/61/1069411761.db2.gz AMUJPGASPSZDON-CRAIPNDOSA-N 1 0 470.496 3.741 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001307045719 1069782373 /nfs/dbraw/zinc/78/23/73/1069782373.db2.gz LKMDJWYNAPZIPG-UUOWRZLLSA-N 1 0 456.591 3.715 20 5 JHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001307555430 1070050433 /nfs/dbraw/zinc/05/04/33/1070050433.db2.gz BDLHYFHPBQJMBL-GOSISDBHSA-N 1 0 450.495 3.872 20 5 JHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC001307631861 1070090985 /nfs/dbraw/zinc/09/09/85/1070090985.db2.gz NNPOWNVQIFEHSS-UWJYYQICSA-N 1 0 454.527 3.664 20 5 JHBDRO CCOCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001314344596 1070148947 /nfs/dbraw/zinc/14/89/47/1070148947.db2.gz DEYBXXWEAJGYHE-KDURUIRLSA-N 1 0 488.637 3.517 20 5 JHBDRO CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314389582 1070241379 /nfs/dbraw/zinc/24/13/79/1070241379.db2.gz HOAOTYYFHLBKER-CJFMBICVSA-N 1 0 485.633 3.560 20 5 JHBDRO CCOCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314392525 1070249247 /nfs/dbraw/zinc/24/92/47/1070249247.db2.gz ZXAPIFQKVMZCTB-HXUWFJFHSA-N 1 0 485.633 3.560 20 5 JHBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001307965476 1070261439 /nfs/dbraw/zinc/26/14/39/1070261439.db2.gz FJJZJPXRUJTYGL-FQEVSTJZSA-N 1 0 452.486 3.810 20 5 JHBDRO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001314432367 1070316911 /nfs/dbraw/zinc/31/69/11/1070316911.db2.gz CHCYCTWXEKLNIO-PMACEKPBSA-N 1 0 456.591 3.981 20 5 JHBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)cc2[N+](=O)[O-])cc1 ZINC001308261935 1070347721 /nfs/dbraw/zinc/34/77/21/1070347721.db2.gz OWKHNVDVQHAGEL-NRFANRHFSA-N 1 0 456.612 3.551 20 5 JHBDRO CCS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001314598682 1070645274 /nfs/dbraw/zinc/64/52/74/1070645274.db2.gz JJBZBTGKRHVTQC-DENIHFKCSA-N 1 0 488.658 3.934 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001314648746 1070753018 /nfs/dbraw/zinc/75/30/18/1070753018.db2.gz OUSRRWRWXMAXRC-JOCHJYFZSA-N 1 0 456.591 3.573 20 5 JHBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(SC)CCOCC2)C1 ZINC001313702896 1070985527 /nfs/dbraw/zinc/98/55/27/1070985527.db2.gz SBLWNVAHBLTCMV-IBGZPJMESA-N 1 0 488.658 3.934 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314749808 1071000298 /nfs/dbraw/zinc/00/02/98/1071000298.db2.gz PNWZPTONKDHSPG-NRFANRHFSA-N 1 0 461.526 3.704 20 5 JHBDRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC001310035920 1071075477 /nfs/dbraw/zinc/07/54/77/1071075477.db2.gz GESXMAWXDVESEL-UHFFFAOYSA-N 1 0 453.543 3.812 20 5 JHBDRO CN(C[C@H]1CCCOC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314805223 1071091197 /nfs/dbraw/zinc/09/11/97/1071091197.db2.gz AKCBXABNFOTWHT-LJQANCHMSA-N 1 0 456.591 3.838 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314830263 1071161138 /nfs/dbraw/zinc/16/11/38/1071161138.db2.gz OUZNNNMVUOIXDW-QHCPKHFHSA-N 1 0 460.648 3.891 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001314832444 1071166145 /nfs/dbraw/zinc/16/61/45/1071166145.db2.gz LQZHQRKAIREZCW-UHFFFAOYSA-N 1 0 470.618 3.808 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(Cc2ccsc2)n1CC[N@H+]1CC=CCC1 ZINC001314833889 1071171384 /nfs/dbraw/zinc/17/13/84/1071171384.db2.gz OLKCNFAWRDXBJV-UHFFFAOYSA-N 1 0 452.584 3.779 20 5 JHBDRO CCn1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001313837695 1071320236 /nfs/dbraw/zinc/32/02/36/1071320236.db2.gz ZAODQNCOZORLGV-IBGZPJMESA-N 1 0 466.590 3.971 20 5 JHBDRO CCc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001306038178 1068447035 /nfs/dbraw/zinc/44/70/35/1068447035.db2.gz XJCIKBDQDRXFPI-UHFFFAOYSA-N 1 0 455.588 3.699 20 5 JHBDRO CCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001306149322 1068551450 /nfs/dbraw/zinc/55/14/50/1068551450.db2.gz ZSBYUTOBZWKKGC-JOCHJYFZSA-N 1 0 456.591 3.917 20 5 JHBDRO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001306197744 1068589951 /nfs/dbraw/zinc/58/99/51/1068589951.db2.gz AQIHTYZJGOUWDG-UHFFFAOYSA-N 1 0 455.607 3.730 20 5 JHBDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306264741 1068679003 /nfs/dbraw/zinc/67/90/03/1068679003.db2.gz QESYDBDQGRQFPF-NNMXDRDESA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306325397 1068762693 /nfs/dbraw/zinc/76/26/93/1068762693.db2.gz XTXJFGWEHAADJA-NHCUHLMSSA-N 1 0 456.591 3.634 20 5 JHBDRO CC(C)COc1ccc(CCNC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1 ZINC001311243905 1069306116 /nfs/dbraw/zinc/30/61/16/1069306116.db2.gz NLLXAUAAABOPMG-UHFFFAOYSA-N 1 0 455.559 3.746 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164822436 720340164 /nfs/dbraw/zinc/34/01/64/720340164.db2.gz DPFPMFJCFJDJJQ-WOJBJXKFSA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001164733662 720535887 /nfs/dbraw/zinc/53/58/87/720535887.db2.gz DWHJWDSKFBREED-CQSZACIVSA-N 1 0 477.903 3.645 20 5 JHBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852385 720855181 /nfs/dbraw/zinc/85/51/81/720855181.db2.gz COQMLMCIAGZNNS-QVKFZJNVSA-N 1 0 480.924 3.748 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC001164749325 720858105 /nfs/dbraw/zinc/85/81/05/720858105.db2.gz MZSBUHMFURYCHB-FDFHNCONSA-N 1 0 459.554 3.628 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750682 720880844 /nfs/dbraw/zinc/88/08/44/720880844.db2.gz JNDOYJYFVMISHU-VGSWGCGISA-N 1 0 493.395 3.842 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164889101 721451163 /nfs/dbraw/zinc/45/11/63/721451163.db2.gz NMPZPTPFGUWAAC-FDDCHVKYSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164790097 721469966 /nfs/dbraw/zinc/46/99/66/721469966.db2.gz QWIYRGJTZXWBIY-NRFANRHFSA-N 1 0 499.587 3.925 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982135 722151242 /nfs/dbraw/zinc/15/12/42/722151242.db2.gz RDWRKROPWWLBOG-AUSIDOKSSA-N 1 0 480.956 3.828 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971209 722155753 /nfs/dbraw/zinc/15/57/53/722155753.db2.gz BCRSDJVNFPFCHF-AVRDEDQJSA-N 1 0 453.930 3.919 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306725676 1069467075 /nfs/dbraw/zinc/46/70/75/1069467075.db2.gz GMHSYPSQNKTKSE-QFIPXVFZSA-N 1 0 484.649 3.761 20 5 JHBDRO CC1CC[NH+]([C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)CC1 ZINC001311651366 1069489252 /nfs/dbraw/zinc/48/92/52/1069489252.db2.gz BZGTXZCPYKLPDE-XMMPIXPASA-N 1 0 451.571 3.900 20 5 JHBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001306786542 1069589339 /nfs/dbraw/zinc/58/93/39/1069589339.db2.gz VYHJLQBGHLPTTP-GOSISDBHSA-N 1 0 487.605 3.546 20 5 JHBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849946 1069659069 /nfs/dbraw/zinc/65/90/69/1069659069.db2.gz DRCOUZZDWPOHLV-AWEZNQCLSA-N 1 0 454.708 3.830 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994010 1069695744 /nfs/dbraw/zinc/69/57/44/1069695744.db2.gz NYUBAYQJTAYCSK-NQIIRXRSSA-N 1 0 458.584 3.933 20 5 JHBDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058445 1069839620 /nfs/dbraw/zinc/83/96/20/1069839620.db2.gz NGDNOCXGEPVUMM-UNMCSNQZSA-N 1 0 456.591 3.634 20 5 JHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC001307631858 1070091628 /nfs/dbraw/zinc/09/16/28/1070091628.db2.gz NNPOWNVQIFEHSS-DYESRHJHSA-N 1 0 454.527 3.664 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001307686256 1070125470 /nfs/dbraw/zinc/12/54/70/1070125470.db2.gz NJDQEKVIARPRBZ-GOSISDBHSA-N 1 0 450.536 3.509 20 5 JHBDRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)C1 ZINC001307826485 1070201752 /nfs/dbraw/zinc/20/17/52/1070201752.db2.gz FODJQSVWYAEHJV-DHIUTWEWSA-N 1 0 471.554 3.846 20 5 JHBDRO CCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001314432113 1070316311 /nfs/dbraw/zinc/31/63/11/1070316311.db2.gz BRRQOKVGBMRYHJ-UXHICEINSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309014503 1070485431 /nfs/dbraw/zinc/48/54/31/1070485431.db2.gz SSASQMSJURLMSL-GOSISDBHSA-N 1 0 456.362 3.719 20 5 JHBDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309151976 1070570893 /nfs/dbraw/zinc/57/08/93/1070570893.db2.gz MMHCMBDELQOXGQ-CYBMUJFWSA-N 1 0 456.362 3.765 20 5 JHBDRO C[NH+](C)[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)CCSC1 ZINC001314652234 1070763028 /nfs/dbraw/zinc/76/30/28/1070763028.db2.gz FTSZZWSLFDGQEG-OAQYLSRUSA-N 1 0 462.645 3.622 20 5 JHBDRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1)c1ccco1 ZINC001313675345 1070915727 /nfs/dbraw/zinc/91/57/27/1070915727.db2.gz SAJWOCQURKQTBF-PMACEKPBSA-N 1 0 454.531 3.755 20 5 JHBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159604 1071164197 /nfs/dbraw/zinc/16/41/97/1071164197.db2.gz ISCVCNRPLYNOKH-KRWDZBQOSA-N 1 0 450.442 3.609 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860980 1071371906 /nfs/dbraw/zinc/37/19/06/1071371906.db2.gz NWYWRTXKMFOTEX-BZSNNMDCSA-N 1 0 495.550 3.656 20 5 JHBDRO CNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314934648 1071382358 /nfs/dbraw/zinc/38/23/58/1071382358.db2.gz QQLUZOWRZLNQNS-UHFFFAOYSA-N 1 0 497.644 3.718 20 5 JHBDRO CC[NH+]1CCC(CCn2c([C@H]3CCC(=O)N3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313879289 1071449289 /nfs/dbraw/zinc/44/92/89/1071449289.db2.gz AEKJZONILSKTOK-JOCHJYFZSA-N 1 0 483.617 3.674 20 5 JHBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001313912630 1071540616 /nfs/dbraw/zinc/54/06/16/1071540616.db2.gz VNNPSZNWUKVOLT-OAQYLSRUSA-N 1 0 451.575 3.745 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925813 1071574841 /nfs/dbraw/zinc/57/48/41/1071574841.db2.gz AZBJGEMZVZCZNP-IBGZPJMESA-N 1 0 455.607 3.505 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934002 1071600349 /nfs/dbraw/zinc/60/03/49/1071600349.db2.gz RBKCTTZLAUWRAD-MSOLQXFVSA-N 1 0 487.605 3.545 20 5 JHBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313949044 1071635208 /nfs/dbraw/zinc/63/52/08/1071635208.db2.gz GZTHWUKIIKUMBT-GOSISDBHSA-N 1 0 498.657 3.528 20 5 JHBDRO CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001306198651 1068591076 /nfs/dbraw/zinc/59/10/76/1068591076.db2.gz NDDJYBTVSIOXLC-FQEVSTJZSA-N 1 0 455.607 3.587 20 5 JHBDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001306264740 1068678858 /nfs/dbraw/zinc/67/88/58/1068678858.db2.gz QESYDBDQGRQFPF-CNNODRBYSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306328465 1068767368 /nfs/dbraw/zinc/76/73/68/1068767368.db2.gz JDFRDXNXIANOOV-UXHICEINSA-N 1 0 455.607 3.506 20 5 JHBDRO CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306328463 1068767459 /nfs/dbraw/zinc/76/74/59/1068767459.db2.gz JDFRDXNXIANOOV-PMACEKPBSA-N 1 0 455.607 3.506 20 5 JHBDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001306499624 1069055890 /nfs/dbraw/zinc/05/58/90/1069055890.db2.gz ONICASMNLQUDGN-UNMCSNQZSA-N 1 0 497.644 3.859 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164715531 720107857 /nfs/dbraw/zinc/10/78/57/720107857.db2.gz HHFWSSLHHQVONW-OAHLLOKOSA-N 1 0 467.357 3.594 20 5 JHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818796 720188222 /nfs/dbraw/zinc/18/82/22/720188222.db2.gz UQTFSVKROBPTRT-MBSDFSHPSA-N 1 0 457.962 3.890 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001164820514 720313483 /nfs/dbraw/zinc/31/34/83/720313483.db2.gz HIAGSSILJWBNGQ-MOPGFXCFSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164836007 720527208 /nfs/dbraw/zinc/52/72/08/720527208.db2.gz LMXJMESHQIUAIV-HFTRVMKXSA-N 1 0 454.909 3.762 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164845255 720742535 /nfs/dbraw/zinc/74/25/35/720742535.db2.gz YAPBRWDCVJNDTA-UHFFFAOYSA-N 1 0 475.887 3.546 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744802 720854731 /nfs/dbraw/zinc/85/47/31/720854731.db2.gz CKFOMFUWJUZZHL-CNNODRBYSA-N 1 0 494.987 3.676 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755464 720871613 /nfs/dbraw/zinc/87/16/13/720871613.db2.gz XJZXILJPDWNYBF-AUSIDOKSSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758185 720884166 /nfs/dbraw/zinc/88/41/66/720884166.db2.gz XNFXOAXMYYUEPJ-WMZHIEFXSA-N 1 0 457.962 3.793 20 5 JHBDRO Cc1c(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753460 720894096 /nfs/dbraw/zinc/89/40/96/720894096.db2.gz GWRVMZMGRVXJKR-RCZVLFRGSA-N 1 0 451.571 3.757 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890783 721435707 /nfs/dbraw/zinc/43/57/07/721435707.db2.gz FSBCNRPVGLBOOD-WZONZLPQSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164783321 721455654 /nfs/dbraw/zinc/45/56/54/721455654.db2.gz BLKLNMMFLFKKRS-GOSISDBHSA-N 1 0 488.963 3.922 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164790113 721466925 /nfs/dbraw/zinc/46/69/25/721466925.db2.gz QZZDYBJYWIHNEL-QHCPKHFHSA-N 1 0 481.597 3.786 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903501 721562197 /nfs/dbraw/zinc/56/21/97/721562197.db2.gz BOWYPXFRWCDTBJ-HKUYNNGSSA-N 1 0 453.449 3.672 20 5 JHBDRO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1[N+](=O)[O-] ZINC001164960717 722058514 /nfs/dbraw/zinc/05/85/14/722058514.db2.gz JCUKIDRZGBQAIV-UHFFFAOYSA-N 1 0 474.565 3.874 20 5 JHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311686795 1069503198 /nfs/dbraw/zinc/50/31/98/1069503198.db2.gz ALRPAZZBICUDNV-HZPDHXFCSA-N 1 0 457.497 3.566 20 5 JHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCCCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC001306910131 1069681958 /nfs/dbraw/zinc/68/19/58/1069681958.db2.gz QNAIIXMIRYRHNF-UHFFFAOYSA-N 1 0 450.605 3.980 20 5 JHBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC001306955907 1069688943 /nfs/dbraw/zinc/68/89/43/1069688943.db2.gz PQIZUDFEQKMYDL-UHFFFAOYSA-N 1 0 453.511 3.940 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001307045717 1069782295 /nfs/dbraw/zinc/78/22/95/1069782295.db2.gz LKMDJWYNAPZIPG-KOSHJBKYSA-N 1 0 456.591 3.715 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307057079 1069832454 /nfs/dbraw/zinc/83/24/54/1069832454.db2.gz VKGMNXCLLUYVGP-IFMALSPDSA-N 1 0 483.617 3.613 20 5 JHBDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001307058444 1069839262 /nfs/dbraw/zinc/83/92/62/1069839262.db2.gz NGDNOCXGEPVUMM-RBBKRZOGSA-N 1 0 456.591 3.634 20 5 JHBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307614803 1070083123 /nfs/dbraw/zinc/08/31/23/1070083123.db2.gz MNUHYKNOYHRMLI-SFHVURJKSA-N 1 0 450.536 3.605 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307706407 1070136826 /nfs/dbraw/zinc/13/68/26/1070136826.db2.gz LYEWTULOYNVFID-WBVHZDCISA-N 1 0 450.536 3.605 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307706405 1070136835 /nfs/dbraw/zinc/13/68/35/1070136835.db2.gz LYEWTULOYNVFID-RDJZCZTQSA-N 1 0 450.536 3.605 20 5 JHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001308031805 1070287370 /nfs/dbraw/zinc/28/73/70/1070287370.db2.gz RMHSUMQWKZNRPJ-NBGIEHNGSA-N 1 0 452.555 3.597 20 5 JHBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001313366829 1070338379 /nfs/dbraw/zinc/33/83/79/1070338379.db2.gz RGQGVVXDSSNRDW-LOSJGSFVSA-N 1 0 459.550 3.974 20 5 JHBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001308362701 1070361604 /nfs/dbraw/zinc/36/16/04/1070361604.db2.gz DSTYDPIYJXQJIA-AUUYWEPGSA-N 1 0 451.308 3.810 20 5 JHBDRO COCN1C(=O)CCc2cc(NCC3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC001308691796 1070419315 /nfs/dbraw/zinc/41/93/15/1070419315.db2.gz DLUJETZMIHNNHZ-UHFFFAOYSA-N 1 0 452.555 3.845 20 5 JHBDRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001314627823 1070722412 /nfs/dbraw/zinc/72/24/12/1070722412.db2.gz DDYBFALGJNWNMB-UHFFFAOYSA-N 1 0 497.644 3.813 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313657255 1070854550 /nfs/dbraw/zinc/85/45/50/1070854550.db2.gz KCFQWUOHFIDWRL-GOSISDBHSA-N 1 0 484.630 3.757 20 5 JHBDRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314704965 1070874316 /nfs/dbraw/zinc/87/43/16/1070874316.db2.gz YOZGFZKFIAKCMN-SFHVURJKSA-N 1 0 485.614 3.569 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313669110 1070894222 /nfs/dbraw/zinc/89/42/22/1070894222.db2.gz BIORASHRIAHOMX-LJQANCHMSA-N 1 0 483.642 3.896 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001313722446 1071026809 /nfs/dbraw/zinc/02/68/09/1071026809.db2.gz ANEHEQJTQGYMQW-GOSISDBHSA-N 1 0 487.605 3.641 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313725322 1071032593 /nfs/dbraw/zinc/03/25/93/1071032593.db2.gz WJGRCCMCRZRDRS-RVKKMQEKSA-N 1 0 470.496 3.740 20 5 JHBDRO CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001313789595 1071180505 /nfs/dbraw/zinc/18/05/05/1071180505.db2.gz YWKZYZZDTQLDMB-SJORKVTESA-N 1 0 483.539 3.514 20 5 JHBDRO CC[N@H+](CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001313813098 1071253622 /nfs/dbraw/zinc/25/36/22/1071253622.db2.gz DXVNZEMDGLATDT-UHFFFAOYSA-N 1 0 455.607 3.901 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860204 1071367332 /nfs/dbraw/zinc/36/73/32/1071367332.db2.gz KKWNKDLGLMFMSY-MOPGFXCFSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313860981 1071371683 /nfs/dbraw/zinc/37/16/83/1071371683.db2.gz NWYWRTXKMFOTEX-FGTMMUONSA-N 1 0 495.550 3.656 20 5 JHBDRO CC[NH+]1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001313875796 1071436143 /nfs/dbraw/zinc/43/61/43/1071436143.db2.gz DLQZXPICGOFBDC-UHFFFAOYSA-N 1 0 497.644 3.670 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922524 1071565040 /nfs/dbraw/zinc/56/50/40/1071565040.db2.gz WXEWGZCFSTYQCB-CEXWTWQISA-N 1 0 491.587 3.607 20 5 JHBDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001314014628 1071754018 /nfs/dbraw/zinc/75/40/18/1071754018.db2.gz RAKWQUKEDYBGDW-GOSISDBHSA-N 1 0 487.605 3.641 20 5 JHBDRO CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001306328466 1068767429 /nfs/dbraw/zinc/76/74/29/1068767429.db2.gz JDFRDXNXIANOOV-VQTJNVASSA-N 1 0 455.607 3.506 20 5 JHBDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001306509897 1069100017 /nfs/dbraw/zinc/10/00/17/1069100017.db2.gz PKEFEUGLHCGFOJ-QHCPKHFHSA-N 1 0 497.644 3.859 20 5 JHBDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001306509895 1069100076 /nfs/dbraw/zinc/10/00/76/1069100076.db2.gz PKEFEUGLHCGFOJ-HSZRJFAPSA-N 1 0 497.644 3.859 20 5 JHBDRO CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CC[N@@H+]1CCOC ZINC001306616195 1069297600 /nfs/dbraw/zinc/29/76/00/1069297600.db2.gz FMXXUSZEQOLFQH-WIYYLYMNSA-N 1 0 474.631 3.544 20 5 JHBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164619243 719019982 /nfs/dbraw/zinc/01/99/82/719019982.db2.gz USGPKGQTEHYOQB-KKXDTOCCSA-N 1 0 466.872 3.585 20 5 JHBDRO CC(C)Oc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164681473 719679095 /nfs/dbraw/zinc/67/90/95/719679095.db2.gz LISKHNPJAISHSU-HXUWFJFHSA-N 1 0 495.624 3.870 20 5 JHBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164818791 720188415 /nfs/dbraw/zinc/18/84/15/720188415.db2.gz UQTFSVKROBPTRT-FDDCHVKYSA-N 1 0 457.962 3.890 20 5 JHBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])C1 ZINC001164726795 720515340 /nfs/dbraw/zinc/51/53/40/720515340.db2.gz DWMFULMRIOFFNK-AWEZNQCLSA-N 1 0 460.897 3.969 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838577 720524885 /nfs/dbraw/zinc/52/48/85/720524885.db2.gz RRQALQIVXWIOTA-OXFYSEKESA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)ccc1Cl ZINC001164736735 720590971 /nfs/dbraw/zinc/59/09/71/720590971.db2.gz SBOJRLRNRRADKC-UHFFFAOYSA-N 1 0 453.934 3.560 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740143 720697270 /nfs/dbraw/zinc/69/72/70/720697270.db2.gz QHSQVIRUQOZKDV-HOCLYGCPSA-N 1 0 486.891 3.707 20 5 JHBDRO Cc1c(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164753463 720893986 /nfs/dbraw/zinc/89/39/86/720893986.db2.gz GWRVMZMGRVXJKR-RDGATRHJSA-N 1 0 451.571 3.757 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C3)O2)CC1 ZINC001164890781 721435746 /nfs/dbraw/zinc/43/57/46/721435746.db2.gz FSBCNRPVGLBOOD-JPYJTQIMSA-N 1 0 459.978 3.562 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892071 721450870 /nfs/dbraw/zinc/45/08/70/721450870.db2.gz WOSFPJWIXUNTHO-BWKNWUBXSA-N 1 0 469.561 3.561 20 5 JHBDRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808862 721582138 /nfs/dbraw/zinc/58/21/38/721582138.db2.gz QZCHDAWSZRLCMD-FIXSFTCYSA-N 1 0 460.538 3.623 20 5 JHBDRO CN(C)/C=C/c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907383 721722602 /nfs/dbraw/zinc/72/26/02/721722602.db2.gz RJNZWMZVAYMEPB-FLVSMNSFSA-N 1 0 458.513 3.655 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025919 721802799 /nfs/dbraw/zinc/80/27/99/721802799.db2.gz PVOQJWWMDQYCJM-SNRMKQJTSA-N 1 0 473.961 3.952 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937609 721922053 /nfs/dbraw/zinc/92/20/53/721922053.db2.gz FAYPRSXAAOWBOM-UHFFFAOYSA-N 1 0 488.972 4.000 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977074 722142418 /nfs/dbraw/zinc/14/24/18/722142418.db2.gz ILVQTCDJLUVMFM-VGSWGCGISA-N 1 0 453.930 3.919 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001307036411 1069756863 /nfs/dbraw/zinc/75/68/63/1069756863.db2.gz YHFCDTYCXQNHQN-HXUWFJFHSA-N 1 0 497.644 3.668 20 5 JHBDRO Cn1nc(CCC[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1-c1ccc(F)cc1 ZINC001307554048 1070048695 /nfs/dbraw/zinc/04/86/95/1070048695.db2.gz ZYYXJBIFKKWRID-UHFFFAOYSA-N 1 0 451.502 3.588 20 5 JHBDRO COc1ccc(NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307614802 1070082964 /nfs/dbraw/zinc/08/29/64/1070082964.db2.gz MNUHYKNOYHRMLI-GOSISDBHSA-N 1 0 450.536 3.605 20 5 JHBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC001307648924 1070100859 /nfs/dbraw/zinc/10/08/59/1070100859.db2.gz CPDHRCQXMHHYQZ-DOTOQJQBSA-N 1 0 450.536 3.557 20 5 JHBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001307969612 1070262887 /nfs/dbraw/zinc/26/28/87/1070262887.db2.gz OZSAIYGAWKZKNG-ZDUSSCGKSA-N 1 0 457.234 3.658 20 5 JHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001307974936 1070265722 /nfs/dbraw/zinc/26/57/22/1070265722.db2.gz DYGGITPPPORODR-XMMPIXPASA-N 1 0 452.555 3.770 20 5 JHBDRO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001307968662 1070263445 /nfs/dbraw/zinc/26/34/45/1070263445.db2.gz XZYVTJMNYHBOIV-SFHVURJKSA-N 1 0 454.502 3.744 20 5 JHBDRO COc1cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308251253 1070346328 /nfs/dbraw/zinc/34/63/28/1070346328.db2.gz PGHBTNFYUDAKTA-UHFFFAOYSA-N 1 0 451.442 3.891 20 5 JHBDRO COc1cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308339776 1070359375 /nfs/dbraw/zinc/35/93/75/1070359375.db2.gz KSIIDXJNSGIQDN-UHFFFAOYSA-N 1 0 452.389 3.927 20 5 JHBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308394567 1070368179 /nfs/dbraw/zinc/36/81/79/1070368179.db2.gz BOOVRFZGXLBJKM-LIRRHRJNSA-N 1 0 454.308 3.919 20 5 JHBDRO C[C@H]1[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001308425411 1070373857 /nfs/dbraw/zinc/37/38/57/1070373857.db2.gz HYQSCCCYAJKVCB-LIRRHRJNSA-N 1 0 451.308 3.952 20 5 JHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC001308684961 1070418511 /nfs/dbraw/zinc/41/85/11/1070418511.db2.gz HFLAEISBTUBXOH-HUUCEWRRSA-N 1 0 450.333 3.515 20 5 JHBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001309021848 1070489044 /nfs/dbraw/zinc/48/90/44/1070489044.db2.gz SCTFUWQHGDGWPN-UHFFFAOYSA-N 1 0 456.362 3.678 20 5 JHBDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC001309403632 1070749361 /nfs/dbraw/zinc/74/93/61/1070749361.db2.gz WZPVTIPDHYZTTD-ACJLOTCBSA-N 1 0 456.362 3.635 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314649123 1070754125 /nfs/dbraw/zinc/75/41/25/1070754125.db2.gz RZWTWFXUUNALFJ-LJQANCHMSA-N 1 0 456.572 3.833 20 5 JHBDRO C[NH+](C)[C@H](Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314652024 1070762382 /nfs/dbraw/zinc/76/23/82/1070762382.db2.gz GPEFWCNZAQFYMH-OAQYLSRUSA-N 1 0 496.591 3.647 20 5 JHBDRO CN(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001314669730 1070809145 /nfs/dbraw/zinc/80/91/45/1070809145.db2.gz JKGASBZOKNVEND-UHFFFAOYSA-N 1 0 483.661 3.611 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001313656354 1070850187 /nfs/dbraw/zinc/85/01/87/1070850187.db2.gz BEIUUTQMNLMUPW-UTKZUKDTSA-N 1 0 452.563 3.659 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001313659931 1070864489 /nfs/dbraw/zinc/86/44/89/1070864489.db2.gz MFEPYZNYHMCNQX-MRXNPFEDSA-N 1 0 487.996 3.670 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001309729159 1070942124 /nfs/dbraw/zinc/94/21/24/1070942124.db2.gz PBQUTOYYVBUISC-UHFFFAOYSA-N 1 0 455.939 3.968 20 5 JHBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)c2)CC1 ZINC001313697190 1070965250 /nfs/dbraw/zinc/96/52/50/1070965250.db2.gz LVULREPCDMVYHB-UHFFFAOYSA-N 1 0 466.590 3.530 20 5 JHBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)C1 ZINC001313702094 1070982829 /nfs/dbraw/zinc/98/28/29/1070982829.db2.gz MQMKAOPHGUXLAV-XLIONFOSSA-N 1 0 476.672 3.870 20 5 JHBDRO COc1cc(S(=O)(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001309908539 1071013129 /nfs/dbraw/zinc/01/31/29/1071013129.db2.gz JFROHLQWRHXKHN-WIOPSUGQSA-N 1 0 481.574 3.940 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313725324 1071032679 /nfs/dbraw/zinc/03/26/79/1071032679.db2.gz WJGRCCMCRZRDRS-VKJFTORMSA-N 1 0 470.496 3.740 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314833022 1071168388 /nfs/dbraw/zinc/16/83/88/1071168388.db2.gz KFWILOVJNPXPGC-OAQYLSRUSA-N 1 0 456.591 3.839 20 5 JHBDRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313812217 1071249222 /nfs/dbraw/zinc/24/92/22/1071249222.db2.gz SWBGVJGUVSHDLR-UHFFFAOYSA-N 1 0 487.996 3.670 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313860983 1071373410 /nfs/dbraw/zinc/37/34/10/1071373410.db2.gz NWYWRTXKMFOTEX-SQNIBIBYSA-N 1 0 495.550 3.656 20 5 JHBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314966804 1071450834 /nfs/dbraw/zinc/45/08/34/1071450834.db2.gz VAFBUOYMUGDTOK-AREMUKBSSA-N 1 0 497.644 3.574 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313919718 1071557766 /nfs/dbraw/zinc/55/77/66/1071557766.db2.gz FRRSXQOWIOAKIS-WOJBJXKFSA-N 1 0 469.634 3.752 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306320092 1068748141 /nfs/dbraw/zinc/74/81/41/1068748141.db2.gz PITDUUGCRJKMHL-UNMCSNQZSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306405295 1068872154 /nfs/dbraw/zinc/87/21/54/1068872154.db2.gz CQZWJANBFWUPJX-XAPVIXHLSA-N 1 0 486.617 3.604 20 5 JHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001310659531 1069093099 /nfs/dbraw/zinc/09/30/99/1069093099.db2.gz DLKVBCAOOXECAV-XJKSGUPXSA-N 1 0 457.369 3.924 20 5 JHBDRO CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306526478 1069155846 /nfs/dbraw/zinc/15/58/46/1069155846.db2.gz HWIINLJTTQITFJ-DEOSSOPVSA-N 1 0 458.607 3.963 20 5 JHBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164619242 719020261 /nfs/dbraw/zinc/02/02/61/719020261.db2.gz USGPKGQTEHYOQB-JEBQAFNWSA-N 1 0 466.872 3.585 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c2ccccc21 ZINC001164684529 719657213 /nfs/dbraw/zinc/65/72/13/719657213.db2.gz XRCKMGGBARPWAU-QGZVFWFLSA-N 1 0 471.989 3.737 20 5 JHBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164706260 719899464 /nfs/dbraw/zinc/89/94/64/719899464.db2.gz GNQBPVNARNLKGE-UHFFFAOYSA-N 1 0 451.552 3.985 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164826526 720348530 /nfs/dbraw/zinc/34/85/30/720348530.db2.gz KFUMMHNKHPOPSL-LEWJYISDSA-N 1 0 484.988 3.617 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21 ZINC001164838422 720522056 /nfs/dbraw/zinc/52/20/56/720522056.db2.gz QVEZPYULPJZRQI-PMPSAXMXSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838360 720608114 /nfs/dbraw/zinc/60/81/14/720608114.db2.gz KUBKSEBRFODJCH-MELADBBJSA-N 1 0 473.887 3.631 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835566 720629262 /nfs/dbraw/zinc/62/92/62/720629262.db2.gz BGXDLHKGKMYGHH-XQBPLPMBSA-N 1 0 465.533 3.765 20 5 JHBDRO CN(C)/C=C\c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839699 720710492 /nfs/dbraw/zinc/71/04/92/720710492.db2.gz MOKNLXKROUVKRI-RYGYDFEPSA-N 1 0 451.571 3.782 20 5 JHBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742609 720824668 /nfs/dbraw/zinc/82/46/68/720824668.db2.gz QCJPORPGLFFOKD-FUHIMQAGSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746009 720859161 /nfs/dbraw/zinc/85/91/61/720859161.db2.gz FEGCQFMHSGEXQS-NLWGTHIKSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755465 720871749 /nfs/dbraw/zinc/87/17/49/720871749.db2.gz XJZXILJPDWNYBF-CVDCTZTESA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164752993 720875779 /nfs/dbraw/zinc/87/57/79/720875779.db2.gz OCSIHNAZPRJCMM-RLWLMLJZSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755760 720877691 /nfs/dbraw/zinc/87/76/91/720877691.db2.gz YSPHYYNDNULQJU-WMZHIEFXSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164748421 720878585 /nfs/dbraw/zinc/87/85/85/720878585.db2.gz DTDHBLOVRGWZHZ-HFZDXXHNSA-N 1 0 474.565 3.688 20 5 JHBDRO CCOc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164752763 720899185 /nfs/dbraw/zinc/89/91/85/720899185.db2.gz FYOVDHFNXVGGKZ-OFVILXPXSA-N 1 0 467.570 3.539 20 5 JHBDRO CN(C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754197 720909032 /nfs/dbraw/zinc/90/90/32/720909032.db2.gz UGVNHEUEPBWULX-SDEKTXFYSA-N 1 0 492.624 3.672 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164783640 721458288 /nfs/dbraw/zinc/45/82/88/721458288.db2.gz DYBVEVONLKDJBL-OAQYLSRUSA-N 1 0 454.571 3.877 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164786529 721469553 /nfs/dbraw/zinc/46/95/53/721469553.db2.gz BOIOISFQEUWIRY-NRFANRHFSA-N 1 0 481.597 3.786 20 5 JHBDRO CSc1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939749 721927341 /nfs/dbraw/zinc/92/73/41/721927341.db2.gz MMDYGHKEFNSXHR-UHFFFAOYSA-N 1 0 463.991 3.940 20 5 JHBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164960513 722052352 /nfs/dbraw/zinc/05/23/52/722052352.db2.gz QTCPECQOFIXSBT-UHFFFAOYSA-N 1 0 467.904 3.702 20 5 JHBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961888 722053838 /nfs/dbraw/zinc/05/38/38/722053838.db2.gz XMJSJRQPZPLAJL-UHFFFAOYSA-N 1 0 467.904 3.702 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001306731927 1069487915 /nfs/dbraw/zinc/48/79/15/1069487915.db2.gz TVKSREIEPYRYQM-JOCHJYFZSA-N 1 0 456.591 3.940 20 5 JHBDRO CC(C)(NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001311905615 1069607788 /nfs/dbraw/zinc/60/77/88/1069607788.db2.gz WPYZBAVDDVQOSC-UHFFFAOYSA-N 1 0 459.978 3.995 20 5 JHBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306802725 1069610056 /nfs/dbraw/zinc/61/00/56/1069610056.db2.gz OVZMCLSSVNZPBS-JOCHJYFZSA-N 1 0 481.605 3.635 20 5 JHBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001306908714 1069681987 /nfs/dbraw/zinc/68/19/87/1069681987.db2.gz NVTWKKDJRRPQOE-FQEVSTJZSA-N 1 0 458.584 3.846 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994009 1069695624 /nfs/dbraw/zinc/69/56/24/1069695624.db2.gz NYUBAYQJTAYCSK-GHTZIAJQSA-N 1 0 458.584 3.933 20 5 JHBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c([N+](=O)[O-])c1 ZINC001307176895 1069904611 /nfs/dbraw/zinc/90/46/11/1069904611.db2.gz LRPKBMMFICTERE-LJQANCHMSA-N 1 0 458.584 3.559 20 5 JHBDRO O=C(CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307361096 1069961501 /nfs/dbraw/zinc/96/15/01/1069961501.db2.gz VOFWUZUPKJFEBR-HSZRJFAPSA-N 1 0 454.596 3.641 20 5 JHBDRO C[NH+](C)[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccc(C(F)(F)F)c1 ZINC001312553225 1070009588 /nfs/dbraw/zinc/00/95/88/1070009588.db2.gz RKCBUJSHCIUSHP-LJQANCHMSA-N 1 0 452.433 3.689 20 5 JHBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001307511281 1070026553 /nfs/dbraw/zinc/02/65/53/1070026553.db2.gz WKZNAEMGDBQGKK-UHFFFAOYSA-N 1 0 453.425 3.985 20 5 JHBDRO COc1ccc(NC(=O)CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC001307887211 1070226253 /nfs/dbraw/zinc/22/62/53/1070226253.db2.gz WIPZSNZKUCHFOF-UHFFFAOYSA-N 1 0 452.555 3.920 20 5 JHBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001307893131 1070228439 /nfs/dbraw/zinc/22/84/39/1070228439.db2.gz NQAJGVDYQGQAJQ-UHFFFAOYSA-N 1 0 450.536 3.559 20 5 JHBDRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001307920187 1070242584 /nfs/dbraw/zinc/24/25/84/1070242584.db2.gz ZGVVVBJIQBCDIA-WOJBJXKFSA-N 1 0 472.517 3.716 20 5 JHBDRO CCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314432116 1070316413 /nfs/dbraw/zinc/31/64/13/1070316413.db2.gz BRRQOKVGBMRYHJ-VQTJNVASSA-N 1 0 456.591 3.981 20 5 JHBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308394565 1070367783 /nfs/dbraw/zinc/36/77/83/1070367783.db2.gz BOOVRFZGXLBJKM-IFXJQAMLSA-N 1 0 454.308 3.919 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1Cl ZINC001309073468 1070523640 /nfs/dbraw/zinc/52/36/40/1070523640.db2.gz UJSBSZKCAICYCC-UHFFFAOYSA-N 1 0 453.923 3.599 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001314663182 1070791043 /nfs/dbraw/zinc/79/10/43/1070791043.db2.gz PIPAARJHZXSKJA-UHFFFAOYSA-N 1 0 497.644 3.670 20 5 JHBDRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cccs2)CC1 ZINC001314669774 1070809612 /nfs/dbraw/zinc/80/96/12/1070809612.db2.gz LBLURLWYMHYUDF-UHFFFAOYSA-N 1 0 483.642 3.825 20 5 JHBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001313659929 1070864339 /nfs/dbraw/zinc/86/43/39/1070864339.db2.gz MFEPYZNYHMCNQX-INIZCTEOSA-N 1 0 487.996 3.670 20 5 JHBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309646067 1070900282 /nfs/dbraw/zinc/90/02/82/1070900282.db2.gz FKWGVKSXEZKJMR-QAPCUYQASA-N 1 0 466.357 3.662 20 5 JHBDRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1)c1ccco1 ZINC001313675346 1070915909 /nfs/dbraw/zinc/91/59/09/1070915909.db2.gz SAJWOCQURKQTBF-UXHICEINSA-N 1 0 454.531 3.755 20 5 JHBDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001309749033 1070952566 /nfs/dbraw/zinc/95/25/66/1070952566.db2.gz FHDNHAAINRDYBX-LOSJGSFVSA-N 1 0 481.574 3.691 20 5 JHBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(SC)CCOCC2)C1 ZINC001313702897 1070985376 /nfs/dbraw/zinc/98/53/76/1070985376.db2.gz SBLWNVAHBLTCMV-LJQANCHMSA-N 1 0 488.658 3.934 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313725320 1071032605 /nfs/dbraw/zinc/03/26/05/1071032605.db2.gz WJGRCCMCRZRDRS-RKVPGOIHSA-N 1 0 470.496 3.740 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C1CC1 ZINC001313804951 1071218226 /nfs/dbraw/zinc/21/82/26/1071218226.db2.gz GXKVGRBLXIWBGB-UHFFFAOYSA-N 1 0 492.506 3.726 20 5 JHBDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313910302 1071535346 /nfs/dbraw/zinc/53/53/46/1071535346.db2.gz FSQLSEKCMRSCOU-IRLDBZIGSA-N 1 0 456.591 3.980 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC001313921322 1071561217 /nfs/dbraw/zinc/56/12/17/1071561217.db2.gz PRNJZVPEYWFWMB-IBGZPJMESA-N 1 0 455.607 3.648 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934305 1071601914 /nfs/dbraw/zinc/60/19/14/1071601914.db2.gz TWKIVHBIYJFRDL-QGZVFWFLSA-N 1 0 487.605 3.687 20 5 JHBDRO CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001306099235 1068518018 /nfs/dbraw/zinc/51/80/18/1068518018.db2.gz OPFJZWIAIYAOGO-UHFFFAOYSA-N 1 0 456.591 3.809 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306405289 1068872503 /nfs/dbraw/zinc/87/25/03/1068872503.db2.gz CQZWJANBFWUPJX-CNNODRBYSA-N 1 0 486.617 3.604 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2C[C@H](F)C2)CC[N@@H+]1CCOC ZINC001306405942 1068875108 /nfs/dbraw/zinc/87/51/08/1068875108.db2.gz IKMAJSCHRRMXQQ-MISYRCLQSA-N 1 0 460.554 3.539 20 5 JHBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001310659530 1069093004 /nfs/dbraw/zinc/09/30/04/1069093004.db2.gz DLKVBCAOOXECAV-CZUORRHYSA-N 1 0 457.369 3.924 20 5 JHBDRO C[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1cc(Cl)cc2c1OCC2 ZINC001311244699 1069306887 /nfs/dbraw/zinc/30/68/87/1069306887.db2.gz CZJVRPVTZYHBNP-AWEZNQCLSA-N 1 0 459.934 3.818 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)c2)CC1 ZINC001311245517 1069307423 /nfs/dbraw/zinc/30/74/23/1069307423.db2.gz KLYUXBGMLJPFRX-UHFFFAOYSA-N 1 0 457.441 3.659 20 5 JHBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164710819 720148333 /nfs/dbraw/zinc/14/83/33/720148333.db2.gz DDSZSUFDJZNKCU-OAQYLSRUSA-N 1 0 474.565 3.954 20 5 JHBDRO CCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164831608 720344607 /nfs/dbraw/zinc/34/46/07/720344607.db2.gz YYTXZLORFMWEGJ-XZOQPEGZSA-N 1 0 478.597 3.526 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838582 720524826 /nfs/dbraw/zinc/52/48/26/720524826.db2.gz RRQALQIVXWIOTA-SYNHAJSKSA-N 1 0 455.950 3.766 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758183 720884437 /nfs/dbraw/zinc/88/44/37/720884437.db2.gz XNFXOAXMYYUEPJ-AUSIDOKSSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754487 720895863 /nfs/dbraw/zinc/89/58/63/720895863.db2.gz JCJZQYKRYYECLC-CJFMBICVSA-N 1 0 462.554 3.621 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164788699 721450898 /nfs/dbraw/zinc/45/08/98/721450898.db2.gz SQMQVWYVNOZIHB-GOSISDBHSA-N 1 0 488.963 3.922 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905438 721586094 /nfs/dbraw/zinc/58/60/94/721586094.db2.gz JENWIIQVEBQJLI-NRFANRHFSA-N 1 0 495.914 3.953 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906259 721695767 /nfs/dbraw/zinc/69/57/67/721695767.db2.gz MQGIHMDNFJVAPV-QGZVFWFLSA-N 1 0 459.284 3.824 20 5 JHBDRO CSc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907729 721708072 /nfs/dbraw/zinc/70/80/72/721708072.db2.gz SYBBBKBYUXJUHP-SFHVURJKSA-N 1 0 470.933 3.893 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)cc1[N+](=O)[O-] ZINC001164967191 722075664 /nfs/dbraw/zinc/07/56/64/722075664.db2.gz NEPCFPKZHPUDKT-HDICACEKSA-N 1 0 451.552 3.874 20 5 JHBDRO Cc1c(NC(=O)NCc2ccncc2OCCC[NH+](C)C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258589 1069310359 /nfs/dbraw/zinc/31/03/59/1069310359.db2.gz MXVBLNUVYCUBLE-UHFFFAOYSA-N 1 0 455.437 3.969 20 5 JHBDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001311380630 1069354034 /nfs/dbraw/zinc/35/40/34/1069354034.db2.gz MGSORJJLXAJOCN-NRFANRHFSA-N 1 0 453.587 3.908 20 5 JHBDRO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306641049 1069351495 /nfs/dbraw/zinc/35/14/95/1069351495.db2.gz DGLMKDGJUSUZPD-QFIPXVFZSA-N 1 0 455.607 3.648 20 5 JHBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CCCCC1 ZINC001311398318 1069361483 /nfs/dbraw/zinc/36/14/83/1069361483.db2.gz VWGCLTVSIIRHPB-IBGZPJMESA-N 1 0 453.381 3.936 20 5 JHBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819142 1069558577 /nfs/dbraw/zinc/55/85/77/1069558577.db2.gz FCCKCLYWDGULBP-KRWDZBQOSA-N 1 0 455.534 3.921 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001307033949 1069749671 /nfs/dbraw/zinc/74/96/71/1069749671.db2.gz GDJIQCKQEZBRTC-IBGZPJMESA-N 1 0 451.575 3.603 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)CC)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001307037944 1069760028 /nfs/dbraw/zinc/76/00/28/1069760028.db2.gz XXDLNFBEUDJHPF-PMACEKPBSA-N 1 0 455.607 3.758 20 5 JHBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307111597 1069892735 /nfs/dbraw/zinc/89/27/35/1069892735.db2.gz NQQJUFNBQWENTP-CBJHCWRLSA-N 1 0 450.605 3.515 20 5 JHBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C ZINC001307195440 1069906351 /nfs/dbraw/zinc/90/63/51/1069906351.db2.gz JHHQMHZJQGKMDR-KBMIEXCESA-N 1 0 453.539 3.950 20 5 JHBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)cc1C ZINC001307195438 1069906449 /nfs/dbraw/zinc/90/64/49/1069906449.db2.gz JHHQMHZJQGKMDR-DFBJGRDBSA-N 1 0 453.539 3.950 20 5 JHBDRO COc1cc(N[C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543911 1070043475 /nfs/dbraw/zinc/04/34/75/1070043475.db2.gz QQWDIYCQPYSISK-INIZCTEOSA-N 1 0 458.515 3.526 20 5 JHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC001307630481 1070089207 /nfs/dbraw/zinc/08/92/07/1070089207.db2.gz YZOYHRFJHQGZGS-QGZVFWFLSA-N 1 0 456.547 3.977 20 5 JHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1cccc([N+](=O)[O-])c1 ZINC001307633982 1070092315 /nfs/dbraw/zinc/09/23/15/1070092315.db2.gz SZIRRROKJXSGFJ-PMACEKPBSA-N 1 0 451.445 3.816 20 5 JHBDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307680968 1070122085 /nfs/dbraw/zinc/12/20/85/1070122085.db2.gz LNMPUJSUXBDZSE-XMMPIXPASA-N 1 0 455.511 3.572 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001307709237 1070138587 /nfs/dbraw/zinc/13/85/87/1070138587.db2.gz XRHRKEZLLKWFKD-WBVHZDCISA-N 1 0 450.536 3.605 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001313449627 1070374656 /nfs/dbraw/zinc/37/46/56/1070374656.db2.gz YPZUKCMIWKNNCH-QFIPXVFZSA-N 1 0 499.616 3.785 20 5 JHBDRO CNC(=O)[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(OC)c(F)c1 ZINC001308447674 1070376924 /nfs/dbraw/zinc/37/69/24/1070376924.db2.gz SDDRMTIWLSMKMG-INIZCTEOSA-N 1 0 458.515 3.561 20 5 JHBDRO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001309756317 1070955788 /nfs/dbraw/zinc/95/57/88/1070955788.db2.gz DWXRVZZLCCSQNZ-IBGZPJMESA-N 1 0 454.552 3.866 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314830261 1071161079 /nfs/dbraw/zinc/16/10/79/1071161079.db2.gz OUZNNNMVUOIXDW-HSZRJFAPSA-N 1 0 460.648 3.891 20 5 JHBDRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC[NH+](CC)CC1 ZINC001313876947 1071439798 /nfs/dbraw/zinc/43/97/98/1071439798.db2.gz OWBDCBZIHUPAGV-JOCHJYFZSA-N 1 0 456.591 3.981 20 5 JHBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001313894788 1071494098 /nfs/dbraw/zinc/49/40/98/1071494098.db2.gz COVPDKMASSFSEL-OAQYLSRUSA-N 1 0 464.574 3.887 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313919716 1071557684 /nfs/dbraw/zinc/55/76/84/1071557684.db2.gz FRRSXQOWIOAKIS-UXHICEINSA-N 1 0 469.634 3.752 20 5 JHBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921853 1071562314 /nfs/dbraw/zinc/56/23/14/1071562314.db2.gz SZZZSVTWKXKWFL-RBUKOAKNSA-N 1 0 498.657 3.576 20 5 JHBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921847 1071562369 /nfs/dbraw/zinc/56/23/69/1071562369.db2.gz SZZZSVTWKXKWFL-MOPGFXCFSA-N 1 0 498.657 3.576 20 5 JHBDRO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1N1CCOCC1 ZINC001306407458 1068882632 /nfs/dbraw/zinc/88/26/32/1068882632.db2.gz ZLKLIXPOXVBNEQ-XUZZJYLKSA-N 1 0 499.660 3.519 20 5 JHBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(CC)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)CC1 ZINC001164617608 719033400 /nfs/dbraw/zinc/03/34/00/719033400.db2.gz NBDRXTXXQKLQLC-UHFFFAOYSA-N 1 0 467.570 3.858 20 5 JHBDRO CC(C)Oc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164681472 719679406 /nfs/dbraw/zinc/67/94/06/719679406.db2.gz LISKHNPJAISHSU-FQEVSTJZSA-N 1 0 495.624 3.870 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001164827290 720324226 /nfs/dbraw/zinc/32/42/26/720324226.db2.gz HJRKGWIGNYCKJS-PMACEKPBSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834006 720510578 /nfs/dbraw/zinc/51/05/78/720510578.db2.gz FCTFGNOSZXUAFG-HYVNUMGLSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164835565 720629727 /nfs/dbraw/zinc/62/97/27/720629727.db2.gz BGXDLHKGKMYGHH-IPJJNNNSSA-N 1 0 465.533 3.765 20 5 JHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccc(F)cc1 ZINC001164748728 720859194 /nfs/dbraw/zinc/85/91/94/720859194.db2.gz LVWNJCAVQBEFIL-ILWGZMRPSA-N 1 0 477.544 3.767 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164748427 720878307 /nfs/dbraw/zinc/87/83/07/720878307.db2.gz DTDHBLOVRGWZHZ-RLWLMLJZSA-N 1 0 474.565 3.688 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884522 721419077 /nfs/dbraw/zinc/41/90/77/721419077.db2.gz DPFVKNZZTFUCQL-HXOBKFHXSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164788511 721462964 /nfs/dbraw/zinc/46/29/64/721462964.db2.gz SZSMMEAYOOXICU-OAQYLSRUSA-N 1 0 454.571 3.877 20 5 JHBDRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164808860 721582406 /nfs/dbraw/zinc/58/24/06/721582406.db2.gz QZCHDAWSZRLCMD-AOHZBQACSA-N 1 0 460.538 3.623 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905441 721586122 /nfs/dbraw/zinc/58/61/22/721586122.db2.gz JENWIIQVEBQJLI-OAQYLSRUSA-N 1 0 495.914 3.953 20 5 JHBDRO CSc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907727 721708054 /nfs/dbraw/zinc/70/80/54/721708054.db2.gz SYBBBKBYUXJUHP-GOSISDBHSA-N 1 0 470.933 3.893 20 5 JHBDRO CN(C)/C=C\c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907384 721722553 /nfs/dbraw/zinc/72/25/53/721722553.db2.gz RJNZWMZVAYMEPB-LPLSSMDUSA-N 1 0 458.513 3.655 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025917 721802879 /nfs/dbraw/zinc/80/28/79/721802879.db2.gz PVOQJWWMDQYCJM-KFKAGJAMSA-N 1 0 473.961 3.952 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932302 721880070 /nfs/dbraw/zinc/88/00/70/721880070.db2.gz IMHFQXDOZSIWFR-MOPGFXCFSA-N 1 0 452.584 3.790 20 5 JHBDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306725675 1069466337 /nfs/dbraw/zinc/46/63/37/1069466337.db2.gz GMHSYPSQNKTKSE-JOCHJYFZSA-N 1 0 484.649 3.761 20 5 JHBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311818958 1069558464 /nfs/dbraw/zinc/55/84/64/1069558464.db2.gz AFUTWHAZMBLPAZ-SFHVURJKSA-N 1 0 457.550 3.869 20 5 JHBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001307033202 1069747747 /nfs/dbraw/zinc/74/77/47/1069747747.db2.gz JOTMMKXYRGEFOJ-HXUWFJFHSA-N 1 0 497.644 3.668 20 5 JHBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001307165121 1069902459 /nfs/dbraw/zinc/90/24/59/1069902459.db2.gz AYTINSSKBQLAEU-CUYAVPTFSA-N 1 0 452.621 3.984 20 5 JHBDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]12 ZINC001307576691 1070061350 /nfs/dbraw/zinc/06/13/50/1070061350.db2.gz OCANYOZOGURLTQ-PSOAEZCFSA-N 1 0 456.587 3.668 20 5 JHBDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001307680967 1070122117 /nfs/dbraw/zinc/12/21/17/1070122117.db2.gz LNMPUJSUXBDZSE-DEOSSOPVSA-N 1 0 455.511 3.572 20 5 JHBDRO COc1ccc(OCC[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC001307708915 1070137730 /nfs/dbraw/zinc/13/77/30/1070137730.db2.gz AHJLIBWJJGEDLT-UHFFFAOYSA-N 1 0 456.417 3.864 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001307709236 1070138623 /nfs/dbraw/zinc/13/86/23/1070138623.db2.gz XRHRKEZLLKWFKD-RDJZCZTQSA-N 1 0 450.536 3.605 20 5 JHBDRO Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885368 1070225294 /nfs/dbraw/zinc/22/52/94/1070225294.db2.gz OGRQBLHOOYXEAP-WSTZPKSXSA-N 1 0 454.571 3.971 20 5 JHBDRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001308262512 1070347445 /nfs/dbraw/zinc/34/74/45/1070347445.db2.gz OMRAYTNMPNSYAI-UHFFFAOYSA-N 1 0 457.600 3.532 20 5 JHBDRO COc1cc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308267018 1070348212 /nfs/dbraw/zinc/34/82/12/1070348212.db2.gz VODKFBAENUGSSM-UHFFFAOYSA-N 1 0 455.433 3.579 20 5 JHBDRO CCOc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001308370089 1070363052 /nfs/dbraw/zinc/36/30/52/1070363052.db2.gz DQLUEKNACZPFHY-IIBYNOLFSA-N 1 0 458.511 3.954 20 5 JHBDRO CCOc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001308370090 1070363120 /nfs/dbraw/zinc/36/31/20/1070363120.db2.gz DQLUEKNACZPFHY-KKSFZXQISA-N 1 0 458.511 3.954 20 5 JHBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434483 1070375272 /nfs/dbraw/zinc/37/52/72/1070375272.db2.gz XCPGRGQSFVOFKB-XXBNENTESA-N 1 0 452.511 3.926 20 5 JHBDRO CNC(=O)[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(OC)c(F)c1 ZINC001308447675 1070376975 /nfs/dbraw/zinc/37/69/75/1070376975.db2.gz SDDRMTIWLSMKMG-MRXNPFEDSA-N 1 0 458.515 3.561 20 5 JHBDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309151977 1070571107 /nfs/dbraw/zinc/57/11/07/1070571107.db2.gz MMHCMBDELQOXGQ-ZDUSSCGKSA-N 1 0 456.362 3.765 20 5 JHBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001309260289 1070652344 /nfs/dbraw/zinc/65/23/44/1070652344.db2.gz CNADHBCAKPRBLS-YOEHRIQHSA-N 1 0 457.474 3.945 20 5 JHBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001309483301 1070799270 /nfs/dbraw/zinc/79/92/70/1070799270.db2.gz DWCMABKWKZYFNH-UHFFFAOYSA-N 1 0 453.948 3.508 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001313656352 1070850535 /nfs/dbraw/zinc/85/05/35/1070850535.db2.gz BEIUUTQMNLMUPW-DYESRHJHSA-N 1 0 452.563 3.659 20 5 JHBDRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001313663766 1070873920 /nfs/dbraw/zinc/87/39/20/1070873920.db2.gz HRGFRKXUQJPYMR-NRFANRHFSA-N 1 0 452.563 3.616 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCOCC2)C1 ZINC001313712244 1071008185 /nfs/dbraw/zinc/00/81/85/1071008185.db2.gz LYVVATSWNDYGPF-UHFFFAOYSA-N 1 0 456.591 3.982 20 5 JHBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314834239 1071172751 /nfs/dbraw/zinc/17/27/51/1071172751.db2.gz SCTNKOZEVVRLMQ-UYAOXDASSA-N 1 0 470.599 3.734 20 5 JHBDRO C[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858828 1071245583 /nfs/dbraw/zinc/24/55/83/1071245583.db2.gz RKRCDRYUPZUQLW-LJQANCHMSA-N 1 0 482.507 3.885 20 5 JHBDRO C[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858826 1071245731 /nfs/dbraw/zinc/24/57/31/1071245731.db2.gz RKRCDRYUPZUQLW-IBGZPJMESA-N 1 0 482.507 3.885 20 5 JHBDRO CCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001313843235 1071329772 /nfs/dbraw/zinc/32/97/72/1071329772.db2.gz ODJHPNVEITUKSK-UHFFFAOYSA-N 1 0 466.590 3.675 20 5 JHBDRO COc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc1[N+](=O)[O-] ZINC001310466636 1071408191 /nfs/dbraw/zinc/40/81/91/1071408191.db2.gz WFKMUMODCRCNAU-UHFFFAOYSA-N 1 0 457.531 3.752 20 5 JHBDRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001313953065 1071647672 /nfs/dbraw/zinc/64/76/72/1071647672.db2.gz AOTWNBDSSOQTST-UHFFFAOYSA-N 1 0 483.661 3.755 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313957506 1071660791 /nfs/dbraw/zinc/66/07/91/1071660791.db2.gz HULVJEMJICMECQ-UHFFFAOYSA-N 1 0 455.607 3.650 20 5 JHBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313957870 1071661915 /nfs/dbraw/zinc/66/19/15/1071661915.db2.gz LLMLUVFDRPHFSH-UHFFFAOYSA-N 1 0 455.607 3.507 20 5 JHBDRO CCc1nnc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001306055350 1068493142 /nfs/dbraw/zinc/49/31/42/1068493142.db2.gz XERVCNALQUPFQD-UHFFFAOYSA-N 1 0 484.630 3.874 20 5 JHBDRO CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306196794 1068588777 /nfs/dbraw/zinc/58/87/77/1068588777.db2.gz JBGATNHNYPGJEL-SFTDATJTSA-N 1 0 469.634 3.833 20 5 JHBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001306319395 1068745390 /nfs/dbraw/zinc/74/53/90/1068745390.db2.gz LAVQSSYBCNBLPZ-NRFANRHFSA-N 1 0 483.617 3.565 20 5 JHBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001306320090 1068747227 /nfs/dbraw/zinc/74/72/27/1068747227.db2.gz PITDUUGCRJKMHL-IRLDBZIGSA-N 1 0 456.591 3.979 20 5 JHBDRO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001306406773 1068878950 /nfs/dbraw/zinc/87/89/50/1068878950.db2.gz OJWFSFHGHPVEHR-HXUWFJFHSA-N 1 0 470.599 3.819 20 5 JHBDRO CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306618090 1069300111 /nfs/dbraw/zinc/30/01/11/1069300111.db2.gz QQKDDSZMMMDRGR-NRFANRHFSA-N 1 0 499.641 3.912 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H](Cc3cccnc3)C3CCCC3)c2)CC1 ZINC001311245032 1069306768 /nfs/dbraw/zinc/30/67/68/1069306768.db2.gz FVBNTRKJOFJFPZ-NRFANRHFSA-N 1 0 452.559 3.665 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164826533 720348900 /nfs/dbraw/zinc/34/89/00/720348900.db2.gz KFUMMHNKHPOPSL-RTWAWAEBSA-N 1 0 484.988 3.617 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001164834009 720509981 /nfs/dbraw/zinc/50/99/81/720509981.db2.gz FCTFGNOSZXUAFG-XIRDDKMYSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834004 720510064 /nfs/dbraw/zinc/51/00/64/720510064.db2.gz FCTFGNOSZXUAFG-BHYGNILZSA-N 1 0 454.909 3.762 20 5 JHBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755758 720877660 /nfs/dbraw/zinc/87/76/60/720877660.db2.gz YSPHYYNDNULQJU-AUSIDOKSSA-N 1 0 457.962 3.793 20 5 JHBDRO CC(C)Oc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164746504 720918224 /nfs/dbraw/zinc/91/82/24/720918224.db2.gz BCPCRYWXRFOZLY-BKMJKUGQSA-N 1 0 481.597 3.927 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164779738 721345403 /nfs/dbraw/zinc/34/54/03/721345403.db2.gz VEJMPADMFJPLLS-XMMPIXPASA-N 1 0 451.527 3.867 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164782299 721363045 /nfs/dbraw/zinc/36/30/45/721363045.db2.gz MRUVIURAWWTEMV-DEOSSOPVSA-N 1 0 451.527 3.867 20 5 JHBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888800 721405112 /nfs/dbraw/zinc/40/51/12/721405112.db2.gz OQVQYTVESCYSAA-SBUREZEXSA-N 1 0 459.978 3.562 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164788508 721462954 /nfs/dbraw/zinc/46/29/54/721462954.db2.gz SZSMMEAYOOXICU-NRFANRHFSA-N 1 0 454.571 3.877 20 5 JHBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908566 721554047 /nfs/dbraw/zinc/55/40/47/721554047.db2.gz QIQTWOZVRDENOH-YPMHNXCESA-N 1 0 461.803 3.538 20 5 JHBDRO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812012 721583880 /nfs/dbraw/zinc/58/38/80/721583880.db2.gz ZNJLNMJEOQGJOA-LSQMVHIFSA-N 1 0 474.565 3.877 20 5 JHBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1[N+](=O)[O-] ZINC001164932305 721880094 /nfs/dbraw/zinc/88/00/94/721880094.db2.gz IMHFQXDOZSIWFR-RTBURBONSA-N 1 0 452.584 3.790 20 5 JHBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973850 722125805 /nfs/dbraw/zinc/12/58/05/722125805.db2.gz HMLPEVIRMNHVRE-UTKZUKDTSA-N 1 0 453.930 3.919 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982148 722151247 /nfs/dbraw/zinc/15/12/47/722151247.db2.gz RDWRKROPWWLBOG-XXBNENTESA-N 1 0 480.956 3.828 20 5 JHBDRO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306685730 1069421291 /nfs/dbraw/zinc/42/12/91/1069421291.db2.gz JVSXCSKMAZSDCE-UHFFFAOYSA-N 1 0 457.623 3.833 20 5 JHBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001311547990 1069433532 /nfs/dbraw/zinc/43/35/32/1069433532.db2.gz IMBFJWGRGPSJGO-QGZVFWFLSA-N 1 0 451.449 3.599 20 5 JHBDRO CC1CCC(NS(=O)(=O)c2ccc(N3CCC[N@@H+](C(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001306949907 1069688245 /nfs/dbraw/zinc/68/82/45/1069688245.db2.gz RFUOOVWDZCJILX-UHFFFAOYSA-N 1 0 452.621 3.762 20 5 JHBDRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046996 1069787757 /nfs/dbraw/zinc/78/77/57/1069787757.db2.gz PRMPKQONTQSRPK-IBGZPJMESA-N 1 0 455.607 3.542 20 5 JHBDRO Cc1ccc(NS(=O)(=O)c2ccc(N3CC[N@@H+](C4CC4)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131021 1069898621 /nfs/dbraw/zinc/89/86/21/1069898621.db2.gz XXTAESKSRQQXPW-QGZVFWFLSA-N 1 0 458.584 3.933 20 5 JHBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C ZINC001307195436 1069906380 /nfs/dbraw/zinc/90/63/80/1069906380.db2.gz JHHQMHZJQGKMDR-CLOONOSVSA-N 1 0 453.539 3.950 20 5 JHBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC001307630480 1070089513 /nfs/dbraw/zinc/08/95/13/1070089513.db2.gz YZOYHRFJHQGZGS-KRWDZBQOSA-N 1 0 456.547 3.977 20 5 JHBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001307748789 1070164755 /nfs/dbraw/zinc/16/47/55/1070164755.db2.gz QCIBIVRCRDASDG-HXUWFJFHSA-N 1 0 453.417 3.552 20 5 JHBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001307974935 1070265485 /nfs/dbraw/zinc/26/54/85/1070265485.db2.gz DYGGITPPPORODR-DEOSSOPVSA-N 1 0 452.555 3.770 20 5 JHBDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001307994725 1070274222 /nfs/dbraw/zinc/27/42/22/1070274222.db2.gz USWTUVUYUSFNSQ-UHFFFAOYSA-N 1 0 454.264 3.765 20 5 JHBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC001308307365 1070354451 /nfs/dbraw/zinc/35/44/51/1070354451.db2.gz YVRGHPYEPKWGQS-LBPRGKRZSA-N 1 0 455.280 3.769 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(CC)c1 ZINC001313449760 1070375261 /nfs/dbraw/zinc/37/52/61/1070375261.db2.gz ZQHRCIGULNTBBY-NRFANRHFSA-N 1 0 452.563 3.581 20 5 JHBDRO COc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC001308958431 1070466310 /nfs/dbraw/zinc/46/63/10/1070466310.db2.gz NEHQMRCCNPEYMJ-KRWDZBQOSA-N 1 0 459.490 3.982 20 5 JHBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313548402 1070661061 /nfs/dbraw/zinc/66/10/61/1070661061.db2.gz LIVZYSIAGGAAAF-FQEVSTJZSA-N 1 0 497.644 3.813 20 5 JHBDRO Cn1cc(C2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)(C)C[NH+](C)C)CC2)cn1 ZINC001314662446 1070789452 /nfs/dbraw/zinc/78/94/52/1070789452.db2.gz DHZCLNJBJFWHQE-UHFFFAOYSA-N 1 0 466.590 3.559 20 5 JHBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001314663419 1070791623 /nfs/dbraw/zinc/79/16/23/1070791623.db2.gz VISOIOAERINSEF-QFIPXVFZSA-N 1 0 498.550 3.971 20 5 JHBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)C1 ZINC001313702093 1070982706 /nfs/dbraw/zinc/98/27/06/1070982706.db2.gz MQMKAOPHGUXLAV-PXNSSMCTSA-N 1 0 476.672 3.870 20 5 JHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCO2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314749862 1071000598 /nfs/dbraw/zinc/00/05/98/1071000598.db2.gz PYBNIXOMGMTERR-UGKGYDQZSA-N 1 0 460.604 3.502 20 5 JHBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313724269 1071030524 /nfs/dbraw/zinc/03/05/24/1071030524.db2.gz NJKCOGPDTPABDT-MJGOQNOKSA-N 1 0 482.589 3.734 20 5 JHBDRO CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001313806792 1071225912 /nfs/dbraw/zinc/22/59/12/1071225912.db2.gz YPNIENVPQIPOCU-OAQYLSRUSA-N 1 0 499.616 3.785 20 5 JHBDRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001313808845 1071234464 /nfs/dbraw/zinc/23/44/64/1071234464.db2.gz RERSFALJEHDRSN-UHFFFAOYSA-N 1 0 482.589 3.630 20 5 JHBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)C1CCCC1 ZINC001313952358 1071644826 /nfs/dbraw/zinc/64/48/26/1071644826.db2.gz ZJCMZGSKPBBPDZ-HXUWFJFHSA-N 1 0 469.634 3.896 20 5 JHBDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001306264742 1068678952 /nfs/dbraw/zinc/67/89/52/1068678952.db2.gz QESYDBDQGRQFPF-WOIUINJBSA-N 1 0 456.591 3.979 20 5 JHBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)c2)CC1 ZINC001311245810 1069307549 /nfs/dbraw/zinc/30/75/49/1069307549.db2.gz QCFKHOBVACBNQZ-NQIIRXRSSA-N 1 0 477.924 3.791 20 5 JHBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683279 719671267 /nfs/dbraw/zinc/67/12/67/719671267.db2.gz RGNIIHPDKHRHAM-FQEVSTJZSA-N 1 0 465.598 3.700 20 5 JHBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164694564 719804068 /nfs/dbraw/zinc/80/40/68/719804068.db2.gz ZZCCGCCEQYUNEH-UHFFFAOYSA-N 1 0 480.978 3.615 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001164827293 720324378 /nfs/dbraw/zinc/32/43/78/720324378.db2.gz HJRKGWIGNYCKJS-UXHICEINSA-N 1 0 457.962 3.708 20 5 JHBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164822429 720339942 /nfs/dbraw/zinc/33/99/42/720339942.db2.gz DPFPMFJCFJDJJQ-PMACEKPBSA-N 1 0 457.962 3.708 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21 ZINC001164836010 720527700 /nfs/dbraw/zinc/52/77/00/720527700.db2.gz LMXJMESHQIUAIV-ZVZYQTTQSA-N 1 0 454.909 3.762 20 5 JHBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164835564 720630897 /nfs/dbraw/zinc/63/08/97/720630897.db2.gz BGXDLHKGKMYGHH-DXIQSLLYSA-N 1 0 465.533 3.765 20 5 JHBDRO COc1cc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1[N+](=O)[O-] ZINC001164843368 720692241 /nfs/dbraw/zinc/69/22/41/720692241.db2.gz OVYYKTVBUWKPJF-IBGZPJMESA-N 1 0 463.538 3.807 20 5 JHBDRO CN(C)/C=C/c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839686 720709736 /nfs/dbraw/zinc/70/97/36/720709736.db2.gz MOKNLXKROUVKRI-FQTAANOTSA-N 1 0 451.571 3.782 20 5 JHBDRO CN(C)/C=C/c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839695 720709794 /nfs/dbraw/zinc/70/97/94/720709794.db2.gz MOKNLXKROUVKRI-RUCTVCJSSA-N 1 0 451.571 3.782 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1Cl ZINC001164744807 720854638 /nfs/dbraw/zinc/85/46/38/720854638.db2.gz CKFOMFUWJUZZHL-NNMXDRDESA-N 1 0 494.987 3.676 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755466 720871899 /nfs/dbraw/zinc/87/18/99/720871899.db2.gz XJZXILJPDWNYBF-WMZHIEFXSA-N 1 0 457.962 3.793 20 5 JHBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758184 720884336 /nfs/dbraw/zinc/88/43/36/720884336.db2.gz XNFXOAXMYYUEPJ-CVDCTZTESA-N 1 0 457.962 3.793 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164779963 721348678 /nfs/dbraw/zinc/34/86/78/721348678.db2.gz XESXRFMXGZSLBA-XMMPIXPASA-N 1 0 451.527 3.867 20 5 JHBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892073 721451198 /nfs/dbraw/zinc/45/11/98/721451198.db2.gz WOSFPJWIXUNTHO-PXDATVDWSA-N 1 0 469.561 3.561 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164783489 721458482 /nfs/dbraw/zinc/45/84/82/721458482.db2.gz DGKOSYNTUOZSKX-HXUWFJFHSA-N 1 0 454.571 3.877 20 5 JHBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164784922 721458914 /nfs/dbraw/zinc/45/89/14/721458914.db2.gz KTPIRTTYPFSSPL-HXUWFJFHSA-N 1 0 454.571 3.877 20 5 JHBDRO CCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812005 721583828 /nfs/dbraw/zinc/58/38/28/721583828.db2.gz ZNJLNMJEOQGJOA-CUYJMHBOSA-N 1 0 474.565 3.877 20 5 JHBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907420 721587142 /nfs/dbraw/zinc/58/71/42/721587142.db2.gz SKUPPNYTSDFRJD-GOSISDBHSA-N 1 0 470.933 3.893 20 5 JHBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165022772 721843372 /nfs/dbraw/zinc/84/33/72/721843372.db2.gz UHGZXHTYUCEKJB-XFXZXTDPSA-N 1 0 455.559 3.640 20 5 JHBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001306786543 1069589312 /nfs/dbraw/zinc/58/93/12/1069589312.db2.gz VYHJLQBGHLPTTP-SFHVURJKSA-N 1 0 487.605 3.546 20 5 JHBDRO CC(C)(NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC001311905630 1069607767 /nfs/dbraw/zinc/60/77/67/1069607767.db2.gz WTKGAJWPPAWJFN-UHFFFAOYSA-N 1 0 459.978 3.995 20 5 JHBDRO CCC[NH+]1CCC(Cn2c(CC)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307039396 1069764418 /nfs/dbraw/zinc/76/44/18/1069764418.db2.gz VXJPMCVTPRKSIH-UHFFFAOYSA-N 1 0 456.591 3.919 20 5 JHBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)CC1 ZINC001307046240 1069784658 /nfs/dbraw/zinc/78/46/58/1069784658.db2.gz UNNNUYOGLXBDKY-UHFFFAOYSA-N 1 0 497.644 3.957 20 5 JHBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001312360318 1069886920 /nfs/dbraw/zinc/88/69/20/1069886920.db2.gz HACJTXGBUZYYGK-UHFFFAOYSA-N 1 0 454.449 3.896 20 5 JHBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001307714509 1070140567 /nfs/dbraw/zinc/14/05/67/1070140567.db2.gz FZSAZAYWYTXPEX-GBXCKJPGSA-N 1 0 452.555 3.627 20 5 JHBDRO O=C(CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307759305 1070171184 /nfs/dbraw/zinc/17/11/84/1070171184.db2.gz IPAKSEOIESEANW-IBGZPJMESA-N 1 0 456.518 3.666 20 5 JHBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313447206 1070366425 /nfs/dbraw/zinc/36/64/25/1070366425.db2.gz IODKNAUIYHBKBL-PXNSSMCTSA-N 1 0 495.550 3.801 20 5 JHBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309060837 1070514536 /nfs/dbraw/zinc/51/45/36/1070514536.db2.gz QGNRBVIJABNPJZ-UHFFFAOYSA-N 1 0 456.362 3.676 20 5 JHBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247907 1070643225 /nfs/dbraw/zinc/64/32/25/1070643225.db2.gz CKVGNGWEFGMEFR-WMLDXEAASA-N 1 0 457.474 3.803 20 5 JHBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001309260287 1070652450 /nfs/dbraw/zinc/65/24/50/1070652450.db2.gz CNADHBCAKPRBLS-RHSMWYFYSA-N 1 0 457.474 3.945 20 5 JHBDRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC001314658441 1070779428 /nfs/dbraw/zinc/77/94/28/1070779428.db2.gz CNDNRZMGIGRORG-DEOSSOPVSA-N 1 0 487.674 3.539 20 5 JHBDRO C[NH+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC001314667774 1070802608 /nfs/dbraw/zinc/80/26/08/1070802608.db2.gz SPSYQWIXEBGAHS-UHFFFAOYSA-N 1 0 492.628 3.606 20 5 JHBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001313711601 1071006588 /nfs/dbraw/zinc/00/65/88/1071006588.db2.gz FJVFRROKWFIJGU-NRFANRHFSA-N 1 0 456.591 3.838 20 5 JHBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314830720 1071162359 /nfs/dbraw/zinc/16/23/59/1071162359.db2.gz YAVAGTBRNVZMBS-NRFANRHFSA-N 1 0 470.618 3.881 20 5 JHBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)no2)C1)C(C)C ZINC001313806234 1071223803 /nfs/dbraw/zinc/22/38/03/1071223803.db2.gz SHAFTAFIKBFCFO-IBGZPJMESA-N 1 0 468.562 3.659 20 5 JHBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860205 1071368022 /nfs/dbraw/zinc/36/80/22/1071368022.db2.gz KKWNKDLGLMFMSY-OALUTQOASA-N 1 0 456.591 3.979 20 5 JHBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001310435586 1071389273 /nfs/dbraw/zinc/38/92/73/1071389273.db2.gz JGMXYRMGOZXKEL-HXUWFJFHSA-N 1 0 452.559 3.673 20 5 JHBDRO CC[NH+]1CCC(CCn2c([C@@H]3CCC(=O)N3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313879290 1071449473 /nfs/dbraw/zinc/44/94/73/1071449473.db2.gz AEKJZONILSKTOK-QFIPXVFZSA-N 1 0 483.617 3.674 20 5 JHBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001314991589 1071506619 /nfs/dbraw/zinc/50/66/19/1071506619.db2.gz WDLPVLWIDYYZRQ-JOCHJYFZSA-N 1 0 497.644 3.574 20 5 JHBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934303 1071601639 /nfs/dbraw/zinc/60/16/39/1071601639.db2.gz TWKIVHBIYJFRDL-KRWDZBQOSA-N 1 0 487.605 3.687 20 5 JHBDRO CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)s1 ZINC001305996275 1068361177 /nfs/dbraw/zinc/36/11/77/1068361177.db2.gz QQTKQTYBIPSBJW-QFIPXVFZSA-N 1 0 487.655 3.946 20 5 JHBDRO CCc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC([NH2+]C(C)C)CC2)o1 ZINC001306006201 1068384379 /nfs/dbraw/zinc/38/43/79/1068384379.db2.gz TWHFFQAQZVXDHX-UHFFFAOYSA-N 1 0 453.547 3.727 20 5 JHBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)c2ccccc21 ZINC001164687367 719681732 /nfs/dbraw/zinc/68/17/32/719681732.db2.gz SAUOWUBRCPGRBV-IBGZPJMESA-N 1 0 488.592 3.631 20 5 JHBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164715530 720107463 /nfs/dbraw/zinc/10/74/63/720107463.db2.gz HHFWSSLHHQVONW-HNNXBMFYSA-N 1 0 467.357 3.594 20 5 JHBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740145 720698259 /nfs/dbraw/zinc/69/82/59/720698259.db2.gz QHSQVIRUQOZKDV-ZBFHGGJFSA-N 1 0 486.891 3.707 20 5 JHBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747507 720848598 /nfs/dbraw/zinc/84/85/98/720848598.db2.gz RAWSRVBSDMWMPA-DJPFJPOOSA-N 1 0 467.961 3.767 20 5 JHBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164758173 720886231 /nfs/dbraw/zinc/88/62/31/720886231.db2.gz XJXYTZDWUXHNJZ-QFQXNSOFSA-N 1 0 474.565 3.688 20 5 JHBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874507 721170669 /nfs/dbraw/zinc/17/06/69/721170669.db2.gz KEFUJTMAWDGNHJ-RTBURBONSA-N 1 0 466.929 3.580 20 5 JHBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164780080 721347744 /nfs/dbraw/zinc/34/77/44/721347744.db2.gz ZKGDURRTKLVURF-DEOSSOPVSA-N 1 0 451.527 3.867 20 5 JHBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(/C=C/N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939028 721930789 /nfs/dbraw/zinc/93/07/89/721930789.db2.gz HKOGPECFXQJFEA-DHZHZOJOSA-N 1 0 451.571 3.702 20 5 JHBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953285 722013168 /nfs/dbraw/zinc/01/31/68/722013168.db2.gz DJRGBPYKCIEXMH-UHFFFAOYSA-N 1 0 459.934 3.707 20 5 JHBDRO