smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2CCN(CCCCNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001311379874 1069353259 /nfs/dbraw/zinc/35/32/59/1069353259.db2.gz FUXCBWBSDFDIAG-UHFFFAOYSA-N 0 3 451.571 3.573 20 5 JHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC001307576692 1070061241 /nfs/dbraw/zinc/06/12/41/1070061241.db2.gz OCANYOZOGURLTQ-YBTBMNATSA-N 0 3 456.587 3.668 20 5 JHBDHN COc1cc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308263364 1070347838 /nfs/dbraw/zinc/34/78/38/1070347838.db2.gz ASFCZZIONVTOAC-HNNXBMFYSA-N 0 3 453.417 3.719 20 5 JHBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159605 1071164934 /nfs/dbraw/zinc/16/49/34/1071164934.db2.gz ISCVCNRPLYNOKH-QGZVFWFLSA-N 0 3 450.442 3.609 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903503 721561615 /nfs/dbraw/zinc/56/16/15/721561615.db2.gz BOWYPXFRWCDTBJ-MJGOQNOKSA-N 0 3 453.449 3.672 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903504 721561641 /nfs/dbraw/zinc/56/16/41/721561641.db2.gz BOWYPXFRWCDTBJ-PKOBYXMFSA-N 0 3 453.449 3.672 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994012 1069695676 /nfs/dbraw/zinc/69/56/76/1069695676.db2.gz NYUBAYQJTAYCSK-WIYYLYMNSA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994012 1069695680 /nfs/dbraw/zinc/69/56/80/1069695680.db2.gz NYUBAYQJTAYCSK-WIYYLYMNSA-N 0 3 458.584 3.933 20 5 JHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]12 ZINC001307576690 1070061665 /nfs/dbraw/zinc/06/16/65/1070061665.db2.gz OCANYOZOGURLTQ-JMUGLRNTSA-N 0 3 456.587 3.668 20 5 JHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001307759692 1070171132 /nfs/dbraw/zinc/17/11/32/1070171132.db2.gz NXKSRXRFRHOOQA-OAQYLSRUSA-N 0 3 452.555 3.835 20 5 JHBDHN O=C(CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307837413 1070205765 /nfs/dbraw/zinc/20/57/65/1070205765.db2.gz UVEMZJFTFJDXRN-DOTOQJQBSA-N 0 3 456.852 3.807 20 5 JHBDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426892 1070763408 /nfs/dbraw/zinc/76/34/08/1070763408.db2.gz GCBILDJZOFIZDT-SFHVURJKSA-N 0 3 457.474 3.803 20 5 JHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752179 720804879 /nfs/dbraw/zinc/80/48/79/720804879.db2.gz ZANKVTRRROOPPQ-FGZHOGPDSA-N 0 3 498.543 3.854 20 5 JHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973848 722125509 /nfs/dbraw/zinc/12/55/09/722125509.db2.gz HMLPEVIRMNHVRE-LAUBAEHRSA-N 0 3 453.930 3.919 20 5 JHBDHN CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306641047 1069351257 /nfs/dbraw/zinc/35/12/57/1069351257.db2.gz DGLMKDGJUSUZPD-JOCHJYFZSA-N 0 3 455.607 3.648 20 5 JHBDHN COC(=O)/C=C\c1ccc(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001307124299 1069896707 /nfs/dbraw/zinc/89/67/07/1069896707.db2.gz MEMGQTOWALSABF-POHAHGRESA-N 0 3 452.511 3.816 20 5 JHBDHN O=C(CS[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307361097 1069961477 /nfs/dbraw/zinc/96/14/77/1069961477.db2.gz VOFWUZUPKJFEBR-QHCPKHFHSA-N 0 3 454.596 3.641 20 5 JHBDHN COC(=O)COc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001308378332 1070364511 /nfs/dbraw/zinc/36/45/11/1070364511.db2.gz HAXMPKPHFPEJRG-HNNXBMFYSA-N 0 3 453.417 3.534 20 5 JHBDHN CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314704964 1070874215 /nfs/dbraw/zinc/87/42/15/1070874215.db2.gz YOZGFZKFIAKCMN-GOSISDBHSA-N 0 3 485.614 3.569 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874506 721171732 /nfs/dbraw/zinc/17/17/32/721171732.db2.gz KEFUJTMAWDGNHJ-RBUKOAKNSA-N 0 3 466.929 3.580 20 5 JHBDHN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164961644 722060515 /nfs/dbraw/zinc/06/05/15/722060515.db2.gz NNKBECSSVIMUIH-UHFFFAOYSA-N 0 3 474.565 3.874 20 5 JHBDHN CCc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978034 722147023 /nfs/dbraw/zinc/14/70/23/722147023.db2.gz JIJHOWQTVIOVMP-URXFXBBRSA-N 0 3 474.565 3.737 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982143 722150835 /nfs/dbraw/zinc/15/08/35/722150835.db2.gz RDWRKROPWWLBOG-WMZHIEFXSA-N 0 3 480.956 3.828 20 5 JHBDHN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NCC1(N2CCSCC2)CCCC1 ZINC001311585216 1069451058 /nfs/dbraw/zinc/45/10/58/1069451058.db2.gz ZZCZGPQUYXVQJP-UHFFFAOYSA-N 0 3 457.394 3.518 20 5 JHBDHN CC(C)COc1ccc(C(C)(C)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001307632917 1070092358 /nfs/dbraw/zinc/09/23/58/1070092358.db2.gz MXQWWNIBJHVUGO-UHFFFAOYSA-N 0 3 454.571 3.803 20 5 JHBDHN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313585317 1070709954 /nfs/dbraw/zinc/70/99/54/1070709954.db2.gz WHZFVRNYLURNIL-UHFFFAOYSA-N 0 3 455.607 3.648 20 5 JHBDHN CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314649122 1070754321 /nfs/dbraw/zinc/75/43/21/1070754321.db2.gz RZWTWFXUUNALFJ-IBGZPJMESA-N 0 3 456.572 3.833 20 5 JHBDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001313804591 1071215790 /nfs/dbraw/zinc/21/57/90/1071215790.db2.gz CDXGMAHVBZQCSH-UHFFFAOYSA-N 0 3 499.616 3.642 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919717 1071557718 /nfs/dbraw/zinc/55/77/18/1071557718.db2.gz FRRSXQOWIOAKIS-VQTJNVASSA-N 0 3 469.634 3.752 20 5 JHBDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)c2c1CCNC2 ZINC001164680320 719653615 /nfs/dbraw/zinc/65/36/15/719653615.db2.gz FIZPWQWWFYPUMX-UHFFFAOYSA-N 0 3 491.930 3.985 20 5 JHBDHN C[C@@H]1[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001308480984 1070380022 /nfs/dbraw/zinc/38/00/22/1070380022.db2.gz KBGAABHEYAQIJE-ABAIWWIYSA-N 0 3 461.300 3.687 20 5 JHBDHN COc1cc(CN[C@H]2CCO[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434481 1070375490 /nfs/dbraw/zinc/37/54/90/1070375490.db2.gz XCPGRGQSFVOFKB-CVDCTZTESA-N 0 3 452.511 3.926 20 5 JHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001309112893 1070545948 /nfs/dbraw/zinc/54/59/48/1070545948.db2.gz RBUKOFQDVBXJAR-INIZCTEOSA-N 0 3 457.474 3.804 20 5 JHBDHN CN(C)[C@@H](Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314652023 1070762400 /nfs/dbraw/zinc/76/24/00/1070762400.db2.gz GPEFWCNZAQFYMH-NRFANRHFSA-N 0 3 496.591 3.647 20 5 JHBDHN CCN(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1)c1ccco1 ZINC001313675348 1070915932 /nfs/dbraw/zinc/91/59/32/1070915932.db2.gz SAJWOCQURKQTBF-WOJBJXKFSA-N 0 3 454.531 3.755 20 5 JHBDHN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC001309871360 1071001238 /nfs/dbraw/zinc/00/12/38/1071001238.db2.gz NARYHKMRBUWWTC-CVEARBPZSA-N 0 3 453.923 3.530 20 5 JHBDHN CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314788768 1071065551 /nfs/dbraw/zinc/06/55/51/1071065551.db2.gz JDAIEHRAUALBBN-HXUWFJFHSA-N 0 3 467.618 3.672 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860982 1071371668 /nfs/dbraw/zinc/37/16/68/1071371668.db2.gz NWYWRTXKMFOTEX-OKZBNKHCSA-N 0 3 495.550 3.656 20 5 JHBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001310465191 1071407293 /nfs/dbraw/zinc/40/72/93/1071407293.db2.gz BYJLRSYRUANRCZ-UHFFFAOYSA-N 0 3 451.321 3.962 20 5 JHBDHN Cc1ccc(-c2nc3sccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737485 720764455 /nfs/dbraw/zinc/76/44/55/720764455.db2.gz BVYARYLPVLNBQO-ZWKOTPCHSA-N 0 3 489.561 3.707 20 5 JHBDHN Cc1ccc(-c2nc3sccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737482 720764906 /nfs/dbraw/zinc/76/49/06/720764906.db2.gz BVYARYLPVLNBQO-MSOLQXFVSA-N 0 3 489.561 3.707 20 5 JHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164973846 722125664 /nfs/dbraw/zinc/12/56/64/722125664.db2.gz HMLPEVIRMNHVRE-DYESRHJHSA-N 0 3 453.930 3.919 20 5 JHBDHN CCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978032 722147281 /nfs/dbraw/zinc/14/72/81/722147281.db2.gz JIJHOWQTVIOVMP-QPPBQGQZSA-N 0 3 474.565 3.737 20 5 JHBDHN COc1cc(CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001311594607 1069456348 /nfs/dbraw/zinc/45/63/48/1069456348.db2.gz UHYKBXJKJZNXDH-HXUWFJFHSA-N 0 3 456.543 3.681 20 5 JHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001306985827 1069694361 /nfs/dbraw/zinc/69/43/61/1069694361.db2.gz IFALAQHPBIUCHC-IBGZPJMESA-N 0 3 452.964 3.748 20 5 JHBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(C2CCCCC2)CC1 ZINC001307074469 1069886613 /nfs/dbraw/zinc/88/66/13/1069886613.db2.gz DIWQLINYCMFSMA-UHFFFAOYSA-N 0 3 450.605 3.614 20 5 JHBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Br)c1 ZINC001308020796 1070283233 /nfs/dbraw/zinc/28/32/33/1070283233.db2.gz VYNFPFRWPGHFGV-QGZVFWFLSA-N 0 3 452.305 3.672 20 5 JHBDHN COC(=O)COc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001308378333 1070364292 /nfs/dbraw/zinc/36/42/92/1070364292.db2.gz HAXMPKPHFPEJRG-OAHLLOKOSA-N 0 3 453.417 3.534 20 5 JHBDHN COC(=O)COc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001308836641 1070445306 /nfs/dbraw/zinc/44/53/06/1070445306.db2.gz SXPQTIWUCXNNPT-VQTJNVASSA-N 0 3 470.522 3.704 20 5 JHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001309872711 1071002013 /nfs/dbraw/zinc/00/20/13/1071002013.db2.gz XIXVVGFSZIBJTE-SJORKVTESA-N 0 3 469.485 3.756 20 5 JHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977072 722142748 /nfs/dbraw/zinc/14/27/48/722142748.db2.gz ILVQTCDJLUVMFM-JTSKRJEESA-N 0 3 453.930 3.919 20 5 JHBDHN CC1CCN([C@@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)CC1 ZINC001311651365 1069489196 /nfs/dbraw/zinc/48/91/96/1069489196.db2.gz BZGTXZCPYKLPDE-DEOSSOPVSA-N 0 3 451.571 3.900 20 5 JHBDHN COc1cc(CN[C@H]2CCO[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434482 1070375405 /nfs/dbraw/zinc/37/54/05/1070375405.db2.gz XCPGRGQSFVOFKB-WMZHIEFXSA-N 0 3 452.511 3.926 20 5 JHBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246666 1070641753 /nfs/dbraw/zinc/64/17/53/1070641753.db2.gz MGQXPEWUQDDQAV-INIZCTEOSA-N 0 3 455.939 3.920 20 5 JHBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001309914993 1071015829 /nfs/dbraw/zinc/01/58/29/1071015829.db2.gz HZSYNGHRLASHKC-LOSJGSFVSA-N 0 3 465.575 3.725 20 5 JHBDHN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314834226 1071172898 /nfs/dbraw/zinc/17/28/98/1071172898.db2.gz RZMQCPHXUVTLJT-UHFFFAOYSA-N 0 3 497.669 3.544 20 5 JHBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859335 1071363801 /nfs/dbraw/zinc/36/38/01/1071363801.db2.gz FZZXEXDISZAMBM-IAGOWNOFSA-N 0 3 455.588 3.862 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933164 1071596920 /nfs/dbraw/zinc/59/69/20/1071596920.db2.gz YEEDITZXJJJOJD-HXUWFJFHSA-N 0 3 483.661 3.970 20 5 JHBDHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306043485 1068461405 /nfs/dbraw/zinc/46/14/05/1068461405.db2.gz QTCVZRDYIYYHPP-ZWKOTPCHSA-N 0 3 480.617 3.679 20 5 JHBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164734496 720461492 /nfs/dbraw/zinc/46/14/92/720461492.db2.gz SXDSRUQEAGIXOZ-MOPGFXCFSA-N 0 3 490.593 3.709 20 5 JHBDHN Cc1ccc(-c2nc3sccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737483 720765519 /nfs/dbraw/zinc/76/55/19/720765519.db2.gz BVYARYLPVLNBQO-QZTJIDSGSA-N 0 3 489.561 3.707 20 5 JHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977071 722142578 /nfs/dbraw/zinc/14/25/78/722142578.db2.gz ILVQTCDJLUVMFM-HTAPYJJXSA-N 0 3 453.930 3.919 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982139 722150850 /nfs/dbraw/zinc/15/08/50/722150850.db2.gz RDWRKROPWWLBOG-CVDCTZTESA-N 0 3 480.956 3.828 20 5 JHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001306985828 1069694339 /nfs/dbraw/zinc/69/43/39/1069694339.db2.gz IFALAQHPBIUCHC-LJQANCHMSA-N 0 3 452.964 3.748 20 5 JHBDHN COc1cc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308263365 1070347873 /nfs/dbraw/zinc/34/78/73/1070347873.db2.gz ASFCZZIONVTOAC-OAHLLOKOSA-N 0 3 453.417 3.719 20 5 JHBDHN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1 ZINC001314749876 1071000888 /nfs/dbraw/zinc/00/08/88/1071000888.db2.gz QFHFIMDONFHDKV-UHFFFAOYSA-N 0 3 486.374 3.842 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001313933161 1071597289 /nfs/dbraw/zinc/59/72/89/1071597289.db2.gz YEEDITZXJJJOJD-FQEVSTJZSA-N 0 3 483.661 3.970 20 5 JHBDHN CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CCN1CCOC ZINC001306616191 1069297744 /nfs/dbraw/zinc/29/77/44/1069297744.db2.gz FMXXUSZEQOLFQH-NQIIRXRSSA-N 0 3 474.631 3.544 20 5 JHBDHN CNC(=O)CN1CCCC12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])CC2 ZINC001164683533 719720920 /nfs/dbraw/zinc/72/09/20/719720920.db2.gz AKRMRSMRSFKDIZ-UHFFFAOYSA-N 0 3 477.924 3.755 20 5 JHBDHN Cc1ccc(CN2CCOC3(CCN(c4cc(/C=C\N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939029 721930402 /nfs/dbraw/zinc/93/04/02/721930402.db2.gz HKOGPECFXQJFEA-FLIBITNWSA-N 0 3 451.571 3.702 20 5 JHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC001307576689 1070061616 /nfs/dbraw/zinc/06/16/16/1070061616.db2.gz OCANYOZOGURLTQ-AFOWIFMISA-N 0 3 456.587 3.668 20 5 JHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308119143 1070320566 /nfs/dbraw/zinc/32/05/66/1070320566.db2.gz YQPYKOMFTNANEK-GOSISDBHSA-N 0 3 456.724 3.533 20 5 JHBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001309053330 1070510300 /nfs/dbraw/zinc/51/03/00/1070510300.db2.gz MWLQBPNEPJKGQH-UHFFFAOYSA-N 0 3 450.399 3.654 20 5 JHBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309246668 1070641723 /nfs/dbraw/zinc/64/17/23/1070641723.db2.gz MGQXPEWUQDDQAV-MRXNPFEDSA-N 0 3 455.939 3.920 20 5 JHBDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1)CCC(F)(F)F ZINC001313804607 1071215954 /nfs/dbraw/zinc/21/59/54/1071215954.db2.gz CNEAAKIRLGBSEU-UHFFFAOYSA-N 0 3 498.506 3.517 20 5 JHBDHN CCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978038 722147313 /nfs/dbraw/zinc/14/73/13/722147313.db2.gz JIJHOWQTVIOVMP-ZJSXRUAMSA-N 0 3 474.565 3.737 20 5 JHBDHN CC(C)(NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001311629920 1069478869 /nfs/dbraw/zinc/47/88/69/1069478869.db2.gz JADXOQDJYASPGW-UHFFFAOYSA-N 0 3 453.587 3.727 20 5 JHBDHN CCCN(CCN1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001307117003 1069895179 /nfs/dbraw/zinc/89/51/79/1069895179.db2.gz QSFTXPYTEHIBDV-UHFFFAOYSA-N 0 3 452.621 3.862 20 5 JHBDHN O=C(CN[C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307669597 1070113789 /nfs/dbraw/zinc/11/37/89/1070113789.db2.gz XYNBIUMYBULGJR-QFIPXVFZSA-N 0 3 450.564 3.879 20 5 JHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001307759689 1070170941 /nfs/dbraw/zinc/17/09/41/1070170941.db2.gz NXKSRXRFRHOOQA-NRFANRHFSA-N 0 3 452.555 3.835 20 5 JHBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247905 1070643128 /nfs/dbraw/zinc/64/31/28/1070643128.db2.gz CKVGNGWEFGMEFR-PBHICJAKSA-N 0 3 457.474 3.803 20 5 JHBDHN CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306618463 1069301562 /nfs/dbraw/zinc/30/15/62/1069301562.db2.gz SFXWYPALKOXHCW-HXUWFJFHSA-N 0 3 478.544 3.836 20 5 JHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC001309283357 1070668285 /nfs/dbraw/zinc/66/82/85/1070668285.db2.gz PJLJCUMPFFMNFT-HZPDHXFCSA-N 0 3 451.976 3.992 20 5 JHBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860403 1071368453 /nfs/dbraw/zinc/36/84/53/1071368453.db2.gz KKWNKDLGLMFMSY-RTBURBONSA-N 0 3 456.591 3.979 20 5 JHBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860401 1071369065 /nfs/dbraw/zinc/36/90/65/1071369065.db2.gz KKWNKDLGLMFMSY-RBUKOAKNSA-N 0 3 456.591 3.979 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922526 1071565140 /nfs/dbraw/zinc/56/51/40/1071565140.db2.gz WXEWGZCFSTYQCB-OTWHNJEPSA-N 0 3 491.587 3.607 20 5 JHBDHN CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306618462 1069301661 /nfs/dbraw/zinc/30/16/61/1069301661.db2.gz SFXWYPALKOXHCW-FQEVSTJZSA-N 0 3 478.544 3.836 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1Cl ZINC001164874505 721172158 /nfs/dbraw/zinc/17/21/58/721172158.db2.gz KEFUJTMAWDGNHJ-OALUTQOASA-N 0 3 466.929 3.580 20 5 JHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971212 722155314 /nfs/dbraw/zinc/15/53/14/722155314.db2.gz BCRSDJVNFPFCHF-GCJKJVERSA-N 0 3 453.930 3.919 20 5 JHBDHN Cc1ccc([C@@H](CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC001311548932 1069434137 /nfs/dbraw/zinc/43/41/37/1069434137.db2.gz VDNDMHHXCGCKTA-LJQANCHMSA-N 0 3 453.465 3.936 20 5 JHBDHN Cc1ccc([C@H](C)NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630109 1069478809 /nfs/dbraw/zinc/47/88/09/1069478809.db2.gz LQUIHNLSMMVARU-NRFANRHFSA-N 0 3 453.587 3.861 20 5 JHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)N(C)C)cc1 ZINC001312807172 1070133896 /nfs/dbraw/zinc/13/38/96/1070133896.db2.gz WXUSXHVBQPPODX-HSZRJFAPSA-N 0 3 455.559 3.517 20 5 JHBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Br)c1 ZINC001308020792 1070282979 /nfs/dbraw/zinc/28/29/79/1070282979.db2.gz VYNFPFRWPGHFGV-KRWDZBQOSA-N 0 3 452.305 3.672 20 5 JHBDHN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313921323 1071561373 /nfs/dbraw/zinc/56/13/73/1071561373.db2.gz PRNJZVPEYWFWMB-LJQANCHMSA-N 0 3 455.607 3.648 20 5 JHBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164734503 720462377 /nfs/dbraw/zinc/46/23/77/720462377.db2.gz SXDSRUQEAGIXOZ-RTBURBONSA-N 0 3 490.593 3.709 20 5 JHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971217 722155787 /nfs/dbraw/zinc/15/57/87/722155787.db2.gz BCRSDJVNFPFCHF-XMSQKQJNSA-N 0 3 453.930 3.919 20 5 JHBDHN Cc1ccc([C@@H](C)NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001311630110 1069478922 /nfs/dbraw/zinc/47/89/22/1069478922.db2.gz LQUIHNLSMMVARU-OAQYLSRUSA-N 0 3 453.587 3.861 20 5 JHBDHN COc1cc(N[C@@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543912 1070043325 /nfs/dbraw/zinc/04/33/25/1070043325.db2.gz QQWDIYCQPYSISK-MRXNPFEDSA-N 0 3 458.515 3.526 20 5 JHBDHN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885366 1070224712 /nfs/dbraw/zinc/22/47/12/1070224712.db2.gz OGRQBLHOOYXEAP-NSHGMRRFSA-N 0 3 454.571 3.971 20 5 JHBDHN O=C(NCCNC(c1ccccc1)c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313396680 1070347572 /nfs/dbraw/zinc/34/75/72/1070347572.db2.gz KOTICAPTGPCJRW-UHFFFAOYSA-N 0 3 459.550 3.806 20 5 JHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001308288408 1070352502 /nfs/dbraw/zinc/35/25/02/1070352502.db2.gz WHXXIXSVJKSIKM-UHFFFAOYSA-N 0 3 453.586 3.562 20 5 JHBDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313806789 1071225970 /nfs/dbraw/zinc/22/59/70/1071225970.db2.gz YKQWYGKTMHMYTL-SFHVURJKSA-N 0 3 470.496 3.743 20 5 JHBDHN COc1cc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907421 721704735 /nfs/dbraw/zinc/70/47/35/721704735.db2.gz RTLWCPPPPWXIKB-QFIPXVFZSA-N 0 3 470.480 3.679 20 5 JHBDHN O=C(NCCNC(c1ccccc1)c1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001306903118 1069679752 /nfs/dbraw/zinc/67/97/52/1069679752.db2.gz AUNMKHXGIZNXPG-UHFFFAOYSA-N 0 3 455.518 3.949 20 5 JHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001307965477 1070261566 /nfs/dbraw/zinc/26/15/66/1070261566.db2.gz FJJZJPXRUJTYGL-HXUWFJFHSA-N 0 3 452.486 3.810 20 5 JHBDHN COc1ccccc1N1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001308329465 1070356926 /nfs/dbraw/zinc/35/69/26/1070356926.db2.gz ARKUYLKEHXIPMM-HNNXBMFYSA-N 0 3 453.280 3.577 20 5 JHBDHN COC(=O)COc1ccc(CNC(C)(C)COc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001308337010 1070358763 /nfs/dbraw/zinc/35/87/63/1070358763.db2.gz LEZFZBVPJVAQMM-UHFFFAOYSA-N 0 3 458.298 3.796 20 5 JHBDHN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001314834235 1071172854 /nfs/dbraw/zinc/17/28/54/1071172854.db2.gz SCTNKOZEVVRLMQ-ICSRJNTNSA-N 0 3 470.599 3.734 20 5 JHBDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313806788 1071225959 /nfs/dbraw/zinc/22/59/59/1071225959.db2.gz YKQWYGKTMHMYTL-GOSISDBHSA-N 0 3 470.496 3.743 20 5 JHBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859334 1071363561 /nfs/dbraw/zinc/36/35/61/1071363561.db2.gz FZZXEXDISZAMBM-DLBZAZTESA-N 0 3 455.588 3.862 20 5 JHBDHN CN1CCN(CCn2c(CC(C)(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1(C)C ZINC001314930530 1071373855 /nfs/dbraw/zinc/37/38/55/1071373855.db2.gz HHKYGPCJZWUVHP-UHFFFAOYSA-N 0 3 483.661 3.970 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925814 1071574762 /nfs/dbraw/zinc/57/47/62/1071574762.db2.gz AZBJGEMZVZCZNP-LJQANCHMSA-N 0 3 455.607 3.505 20 5 JHBDHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306043483 1068461453 /nfs/dbraw/zinc/46/14/53/1068461453.db2.gz QTCVZRDYIYYHPP-ROUUACIJSA-N 0 3 480.617 3.679 20 5 JHBDHN CN(C)/C=C\c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907386 721723729 /nfs/dbraw/zinc/72/37/29/721723729.db2.gz RJNZWMZVAYMEPB-RWKBYAJOSA-N 0 3 458.513 3.655 20 5 JHBDHN CCc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164978036 722147518 /nfs/dbraw/zinc/14/75/18/722147518.db2.gz JIJHOWQTVIOVMP-XUZZJYLKSA-N 0 3 474.565 3.737 20 5 JHBDHN Cc1ccc([C@H](CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC001311548931 1069434118 /nfs/dbraw/zinc/43/41/18/1069434118.db2.gz VDNDMHHXCGCKTA-IBGZPJMESA-N 0 3 453.465 3.936 20 5 JHBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001307969611 1070262962 /nfs/dbraw/zinc/26/29/62/1070262962.db2.gz OZSAIYGAWKZKNG-CYBMUJFWSA-N 0 3 457.234 3.658 20 5 JHBDHN CCOCCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001314441533 1070331315 /nfs/dbraw/zinc/33/13/15/1070331315.db2.gz BPXKRWQQYZZQTJ-UHFFFAOYSA-N 0 3 456.591 3.981 20 5 JHBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164734501 720462032 /nfs/dbraw/zinc/46/20/32/720462032.db2.gz SXDSRUQEAGIXOZ-RBUKOAKNSA-N 0 3 490.593 3.709 20 5 JHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752188 720805275 /nfs/dbraw/zinc/80/52/75/720805275.db2.gz ZANKVTRRROOPPQ-YADHBBJMSA-N 0 3 498.543 3.854 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1F ZINC001164903502 721561972 /nfs/dbraw/zinc/56/19/72/721561972.db2.gz BOWYPXFRWCDTBJ-IEBWSBKVSA-N 0 3 453.449 3.672 20 5 JHBDHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001311380632 1069353921 /nfs/dbraw/zinc/35/39/21/1069353921.db2.gz MGSORJJLXAJOCN-OAQYLSRUSA-N 0 3 453.587 3.908 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994011 1069695561 /nfs/dbraw/zinc/69/55/61/1069695561.db2.gz NYUBAYQJTAYCSK-RXVVDRJESA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994011 1069695569 /nfs/dbraw/zinc/69/55/69/1069695569.db2.gz NYUBAYQJTAYCSK-RXVVDRJESA-N 0 3 458.584 3.933 20 5 JHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC001309112894 1070546040 /nfs/dbraw/zinc/54/60/40/1070546040.db2.gz RBUKOFQDVBXJAR-MRXNPFEDSA-N 0 3 457.474 3.804 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@H]1C ZINC001313859337 1071363620 /nfs/dbraw/zinc/36/36/20/1071363620.db2.gz FZZXEXDISZAMBM-SJORKVTESA-N 0 3 455.588 3.862 20 5 JHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001310435585 1071388593 /nfs/dbraw/zinc/38/85/93/1071388593.db2.gz JGMXYRMGOZXKEL-FQEVSTJZSA-N 0 3 452.559 3.673 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921856 1071562470 /nfs/dbraw/zinc/56/24/70/1071562470.db2.gz SZZZSVTWKXKWFL-RTBURBONSA-N 0 3 498.657 3.576 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921850 1071562638 /nfs/dbraw/zinc/56/26/38/1071562638.db2.gz SZZZSVTWKXKWFL-OALUTQOASA-N 0 3 498.657 3.576 20 5 JHBDHN CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CCN1CCOC ZINC001306618091 1069300362 /nfs/dbraw/zinc/30/03/62/1069300362.db2.gz QQKDDSZMMMDRGR-OAQYLSRUSA-N 0 3 499.641 3.912 20 5 JHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164977073 722142211 /nfs/dbraw/zinc/14/22/11/722142211.db2.gz ILVQTCDJLUVMFM-VGOFRKELSA-N 0 3 453.930 3.919 20 5 JHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849947 1069659053 /nfs/dbraw/zinc/65/90/53/1069659053.db2.gz DRCOUZZDWPOHLV-CQSZACIVSA-N 0 3 454.708 3.830 20 5 JHBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247908 1070643095 /nfs/dbraw/zinc/64/30/95/1070643095.db2.gz CKVGNGWEFGMEFR-YOEHRIQHSA-N 0 3 457.474 3.803 20 5 JHBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247906 1070643260 /nfs/dbraw/zinc/64/32/60/1070643260.db2.gz CKVGNGWEFGMEFR-RHSMWYFYSA-N 0 3 457.474 3.803 20 5 JHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC001309283358 1070668353 /nfs/dbraw/zinc/66/83/53/1070668353.db2.gz PJLJCUMPFFMNFT-JIPZTSHUSA-N 0 3 451.976 3.992 20 5 JHBDHN CCN(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1)c1ccco1 ZINC001313675347 1070915900 /nfs/dbraw/zinc/91/59/00/1070915900.db2.gz SAJWOCQURKQTBF-VQTJNVASSA-N 0 3 454.531 3.755 20 5 JHBDHN CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306328467 1068767605 /nfs/dbraw/zinc/76/76/05/1068767605.db2.gz JDFRDXNXIANOOV-WOJBJXKFSA-N 0 3 455.607 3.506 20 5 JHBDHN COC(=O)c1cc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(C)c([N+](=O)[O-])c1 ZINC001310681694 1069107128 /nfs/dbraw/zinc/10/71/28/1069107128.db2.gz UVQQAURAGRXIOX-UHFFFAOYSA-N 0 3 458.437 3.617 20 5 JHBDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)c2c1CCNC2 ZINC001164681700 719652997 /nfs/dbraw/zinc/65/29/97/719652997.db2.gz QBVKTQJXXKEJKJ-UHFFFAOYSA-N 0 3 491.930 3.985 20 5 JHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000751077511 1069432455 /nfs/dbraw/zinc/43/24/55/1069432455.db2.gz YKGCJUHGNDRERR-APWZRJJASA-N 0 3 477.302 3.956 20 5 JHBDHN COc1cc(CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001311594606 1069456428 /nfs/dbraw/zinc/45/64/28/1069456428.db2.gz UHYKBXJKJZNXDH-FQEVSTJZSA-N 0 3 456.543 3.681 20 5 JHBDHN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC001307573170 1070060037 /nfs/dbraw/zinc/06/00/37/1070060037.db2.gz HIOQKMZGINYCMY-UHFFFAOYSA-N 0 3 450.539 3.501 20 5 JHBDHN CC(C)Oc1ccc([C@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)N(C)C)cc1 ZINC001312807173 1070133883 /nfs/dbraw/zinc/13/38/83/1070133883.db2.gz WXUSXHVBQPPODX-QHCPKHFHSA-N 0 3 455.559 3.517 20 5 JHBDHN CC(C)Cc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC001312815860 1070139660 /nfs/dbraw/zinc/13/96/60/1070139660.db2.gz ADVLAXSDQOHBCZ-DEOSSOPVSA-N 0 3 453.587 3.928 20 5 JHBDHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306043481 1068461502 /nfs/dbraw/zinc/46/15/02/1068461502.db2.gz QTCVZRDYIYYHPP-QZTJIDSGSA-N 0 3 480.617 3.679 20 5 JHBDHN CCN1CCN(c2cccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)CC1 ZINC001310596497 1069039845 /nfs/dbraw/zinc/03/98/45/1069039845.db2.gz LMTKQCSWZACKRH-UHFFFAOYSA-N 0 3 453.543 3.812 20 5 JHBDHN CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CCN1CCOC ZINC001306616193 1069297695 /nfs/dbraw/zinc/29/76/95/1069297695.db2.gz FMXXUSZEQOLFQH-RXVVDRJESA-N 0 3 474.631 3.544 20 5 JHBDHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3cc1COc1ccccc1[N+](=O)[O-])CC2 ZINC001164691056 719756125 /nfs/dbraw/zinc/75/61/25/719756125.db2.gz KQMQFKQCRUPCEP-UHFFFAOYSA-N 0 3 489.576 3.903 20 5 JHBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164734499 720463036 /nfs/dbraw/zinc/46/30/36/720463036.db2.gz SXDSRUQEAGIXOZ-OALUTQOASA-N 0 3 490.593 3.709 20 5 JHBDHN Cc1ccc(-c2nc3sccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164737484 720765851 /nfs/dbraw/zinc/76/58/51/720765851.db2.gz BVYARYLPVLNBQO-ROUUACIJSA-N 0 3 489.561 3.707 20 5 JHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971215 722155168 /nfs/dbraw/zinc/15/51/68/722155168.db2.gz BCRSDJVNFPFCHF-PGRDOPGGSA-N 0 3 453.930 3.919 20 5 JHBDHN CN(C)CCN(Cc1cccs1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001311548695 1069434111 /nfs/dbraw/zinc/43/41/11/1069434111.db2.gz QKYSFKVZCJSEFJ-UHFFFAOYSA-N 0 3 459.494 3.860 20 5 JHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)N(C)C)cc1 ZINC001312815862 1070139786 /nfs/dbraw/zinc/13/97/86/1070139786.db2.gz ADVLAXSDQOHBCZ-XMMPIXPASA-N 0 3 453.587 3.928 20 5 JHBDHN COc1ccccc1N1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001308329466 1070357168 /nfs/dbraw/zinc/35/71/68/1070357168.db2.gz ARKUYLKEHXIPMM-OAHLLOKOSA-N 0 3 453.280 3.577 20 5 JHBDHN COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1[O-] ZINC001308376336 1070363941 /nfs/dbraw/zinc/36/39/41/1070363941.db2.gz LNSSJVCUTMPMLS-UHFFFAOYSA-N 0 3 453.417 3.722 20 5 JHBDHN CN(CCN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC001308616664 1070402556 /nfs/dbraw/zinc/40/25/56/1070402556.db2.gz ZMKQQNIAEIVOGT-UHFFFAOYSA-N 0 3 453.406 3.668 20 5 JHBDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)c2c1CCNC2 ZINC001164679991 719654060 /nfs/dbraw/zinc/65/40/60/719654060.db2.gz BUSGKNDMBKFYTO-UHFFFAOYSA-N 0 3 491.930 3.985 20 5 JHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752171 720805320 /nfs/dbraw/zinc/80/53/20/720805320.db2.gz ZANKVTRRROOPPQ-FCHUYYIVSA-N 0 3 498.543 3.854 20 5 JHBDHN COc1cc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2cc1[N+](=O)[O-] ZINC001164907419 721704818 /nfs/dbraw/zinc/70/48/18/721704818.db2.gz RTLWCPPPPWXIKB-JOCHJYFZSA-N 0 3 470.480 3.679 20 5 JHBDHN CN(C)/C=C/c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907385 721723435 /nfs/dbraw/zinc/72/34/35/721723435.db2.gz RJNZWMZVAYMEPB-MOVYNIQHSA-N 0 3 458.513 3.655 20 5 JHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973853 722125986 /nfs/dbraw/zinc/12/59/86/722125986.db2.gz HMLPEVIRMNHVRE-UWJYYQICSA-N 0 3 453.930 3.919 20 5 JHBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001306908715 1069681945 /nfs/dbraw/zinc/68/19/45/1069681945.db2.gz NVTWKKDJRRPQOE-HXUWFJFHSA-N 0 3 458.584 3.846 20 5 JHBDHN CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001309426891 1070763311 /nfs/dbraw/zinc/76/33/11/1070763311.db2.gz GCBILDJZOFIZDT-GOSISDBHSA-N 0 3 457.474 3.803 20 5 JHBDHN COc1ccc(S(=O)(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001309908147 1071012613 /nfs/dbraw/zinc/01/26/13/1071012613.db2.gz FOQKCCPDWNBMFD-WIOPSUGQSA-N 0 3 481.574 3.940 20 5 JHBDHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001314834237 1071172932 /nfs/dbraw/zinc/17/29/32/1071172932.db2.gz SCTNKOZEVVRLMQ-QUCCMNQESA-N 0 3 470.599 3.734 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C[C@@H]1C ZINC001313859336 1071363639 /nfs/dbraw/zinc/36/36/39/1071363639.db2.gz FZZXEXDISZAMBM-IRXDYDNUSA-N 0 3 455.588 3.862 20 5 JHBDHN CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)CC1 ZINC001306662586 1069383951 /nfs/dbraw/zinc/38/39/51/1069383951.db2.gz VWMNWOJWUNIUOO-UHFFFAOYSA-N 0 3 495.628 3.590 20 5 JHBDHN COC(=O)/C=C/c1ccc(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001307124300 1069897074 /nfs/dbraw/zinc/89/70/74/1069897074.db2.gz MEMGQTOWALSABF-UXBLZVDNSA-N 0 3 452.511 3.816 20 5 JHBDHN CN(c1ccccc1)c1ccc(CNCc2ccc(CN3C(=O)CNC3=O)cc2)cc1[N+](=O)[O-] ZINC001308495424 1070381637 /nfs/dbraw/zinc/38/16/37/1070381637.db2.gz YXGKCCCYYSTSFP-UHFFFAOYSA-N 0 3 459.506 3.704 20 5 JHBDHN CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314720461 1070914834 /nfs/dbraw/zinc/91/48/34/1070914834.db2.gz ASYBOWNMDNKGPS-UHFFFAOYSA-N 0 3 499.019 3.564 20 5 JHBDHN CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314788767 1071065302 /nfs/dbraw/zinc/06/53/02/1071065302.db2.gz JDAIEHRAUALBBN-FQEVSTJZSA-N 0 3 467.618 3.672 20 5 JHBDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)CCC(F)(F)F ZINC001313806692 1071224975 /nfs/dbraw/zinc/22/49/75/1071224975.db2.gz XPNDTMSYDGHVKL-UHFFFAOYSA-N 0 3 470.496 3.743 20 5 JHBDHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306043479 1068461624 /nfs/dbraw/zinc/46/16/24/1068461624.db2.gz QTCVZRDYIYYHPP-MSOLQXFVSA-N 0 3 480.617 3.679 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[N@@H+](C4CC4)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131020 1069898509 /nfs/dbraw/zinc/89/85/09/1069898509.db2.gz XXTAESKSRQQXPW-KRWDZBQOSA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[N@H+](C4CC4)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131020 1069898531 /nfs/dbraw/zinc/89/85/31/1069898531.db2.gz XXTAESKSRQQXPW-KRWDZBQOSA-N 0 3 458.584 3.933 20 5 JHBDHN COc1cc(CN[C@@H]2CCO[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434478 1070375459 /nfs/dbraw/zinc/37/54/59/1070375459.db2.gz XCPGRGQSFVOFKB-AUSIDOKSSA-N 0 3 452.511 3.926 20 5 JHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC001309283356 1070667708 /nfs/dbraw/zinc/66/77/08/1070667708.db2.gz PJLJCUMPFFMNFT-HOTGVXAUSA-N 0 3 451.976 3.992 20 5 JHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752184 720804827 /nfs/dbraw/zinc/80/48/27/720804827.db2.gz ZANKVTRRROOPPQ-VXKWHMMOSA-N 0 3 498.543 3.854 20 5 JHBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164963151 722054922 /nfs/dbraw/zinc/05/49/22/722054922.db2.gz HPODZRNITWOOJE-UHFFFAOYSA-N 0 3 467.904 3.702 20 5 JHBDHN O=C(CN[C@H](Cc1ccccc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307669595 1070113743 /nfs/dbraw/zinc/11/37/43/1070113743.db2.gz XYNBIUMYBULGJR-JOCHJYFZSA-N 0 3 450.564 3.879 20 5 JHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308119146 1070319913 /nfs/dbraw/zinc/31/99/13/1070319913.db2.gz YQPYKOMFTNANEK-SFHVURJKSA-N 0 3 456.724 3.533 20 5 JHBDHN CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001314834233 1071172910 /nfs/dbraw/zinc/17/29/10/1071172910.db2.gz SCTNKOZEVVRLMQ-AZUAARDMSA-N 0 3 470.599 3.734 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313919715 1071557473 /nfs/dbraw/zinc/55/74/73/1071557473.db2.gz FRRSXQOWIOAKIS-PMACEKPBSA-N 0 3 469.634 3.752 20 5 JHBDHN CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)cs1 ZINC001306029276 1068427048 /nfs/dbraw/zinc/42/70/48/1068427048.db2.gz HVZGRXKQSJINLU-UHFFFAOYSA-N 0 3 453.572 3.771 20 5 JHBDHN CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2)CCN1CCOC ZINC001306616189 1069297840 /nfs/dbraw/zinc/29/78/40/1069297840.db2.gz FMXXUSZEQOLFQH-GHTZIAJQSA-N 0 3 474.631 3.544 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874499 721170649 /nfs/dbraw/zinc/17/06/49/721170649.db2.gz KEFUJTMAWDGNHJ-MOPGFXCFSA-N 0 3 466.929 3.580 20 5 JHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001307965476 1070261448 /nfs/dbraw/zinc/26/14/48/1070261448.db2.gz FJJZJPXRUJTYGL-FQEVSTJZSA-N 0 3 452.486 3.810 20 5 JHBDHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001309749407 1070952333 /nfs/dbraw/zinc/95/23/33/1070952333.db2.gz MXPBQYLJTXRYTG-LOSJGSFVSA-N 0 3 481.574 3.691 20 5 JHBDHN CCN1CCN(c2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC001310035920 1071075491 /nfs/dbraw/zinc/07/54/91/1071075491.db2.gz GESXMAWXDVESEL-UHFFFAOYSA-N 0 3 453.543 3.812 20 5 JHBDHN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(Cc2ccsc2)n1CCN1CC=CCC1 ZINC001314833889 1071171392 /nfs/dbraw/zinc/17/13/92/1071171392.db2.gz OLKCNFAWRDXBJV-UHFFFAOYSA-N 0 3 452.584 3.779 20 5 JHBDHN CCc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001306038178 1068447040 /nfs/dbraw/zinc/44/70/40/1068447040.db2.gz XJCIKBDQDRXFPI-UHFFFAOYSA-N 0 3 455.588 3.699 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1Cl ZINC001164982135 722151245 /nfs/dbraw/zinc/15/12/45/722151245.db2.gz RDWRKROPWWLBOG-AUSIDOKSSA-N 0 3 480.956 3.828 20 5 JHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971209 722155758 /nfs/dbraw/zinc/15/57/58/722155758.db2.gz BCRSDJVNFPFCHF-AVRDEDQJSA-N 0 3 453.930 3.919 20 5 JHBDHN CC1CCN([C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)CC1 ZINC001311651366 1069489255 /nfs/dbraw/zinc/48/92/55/1069489255.db2.gz BZGTXZCPYKLPDE-XMMPIXPASA-N 0 3 451.571 3.900 20 5 JHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306849946 1069659076 /nfs/dbraw/zinc/65/90/76/1069659076.db2.gz DRCOUZZDWPOHLV-AWEZNQCLSA-N 0 3 454.708 3.830 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994010 1069695753 /nfs/dbraw/zinc/69/57/53/1069695753.db2.gz NYUBAYQJTAYCSK-NQIIRXRSSA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994010 1069695759 /nfs/dbraw/zinc/69/57/59/1069695759.db2.gz NYUBAYQJTAYCSK-NQIIRXRSSA-N 0 3 458.584 3.933 20 5 JHBDHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)C1 ZINC001307826485 1070201771 /nfs/dbraw/zinc/20/17/71/1070201771.db2.gz FODJQSVWYAEHJV-DHIUTWEWSA-N 0 3 471.554 3.846 20 5 JHBDHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309151976 1070570918 /nfs/dbraw/zinc/57/09/18/1070570918.db2.gz MMHCMBDELQOXGQ-CYBMUJFWSA-N 0 3 456.362 3.765 20 5 JHBDHN CCN(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1)c1ccco1 ZINC001313675345 1070915739 /nfs/dbraw/zinc/91/57/39/1070915739.db2.gz SAJWOCQURKQTBF-PMACEKPBSA-N 0 3 454.531 3.755 20 5 JHBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001310159604 1071164205 /nfs/dbraw/zinc/16/42/05/1071164205.db2.gz ISCVCNRPLYNOKH-KRWDZBQOSA-N 0 3 450.442 3.609 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313860980 1071371924 /nfs/dbraw/zinc/37/19/24/1071371924.db2.gz NWYWRTXKMFOTEX-BZSNNMDCSA-N 0 3 495.550 3.656 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001313925813 1071574849 /nfs/dbraw/zinc/57/48/49/1071574849.db2.gz AZBJGEMZVZCZNP-IBGZPJMESA-N 0 3 455.607 3.505 20 5 JHBDHN CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306328465 1068767391 /nfs/dbraw/zinc/76/73/91/1068767391.db2.gz JDFRDXNXIANOOV-UXHICEINSA-N 0 3 455.607 3.506 20 5 JHBDHN CC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306328463 1068767474 /nfs/dbraw/zinc/76/74/74/1068767474.db2.gz JDFRDXNXIANOOV-PMACEKPBSA-N 0 3 455.607 3.506 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1F ZINC001164903501 721562201 /nfs/dbraw/zinc/56/22/01/721562201.db2.gz BOWYPXFRWCDTBJ-HKUYNNGSSA-N 0 3 453.449 3.672 20 5 JHBDHN COc1ccc(NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307614803 1070083136 /nfs/dbraw/zinc/08/31/36/1070083136.db2.gz MNUHYKNOYHRMLI-SFHVURJKSA-N 0 3 450.536 3.605 20 5 JHBDHN CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314704965 1070874344 /nfs/dbraw/zinc/87/43/44/1070874344.db2.gz YOZGFZKFIAKCMN-SFHVURJKSA-N 0 3 485.614 3.569 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@H]1C ZINC001313860204 1071367366 /nfs/dbraw/zinc/36/73/66/1071367366.db2.gz KKWNKDLGLMFMSY-MOPGFXCFSA-N 0 3 456.591 3.979 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313860981 1071371708 /nfs/dbraw/zinc/37/17/08/1071371708.db2.gz NWYWRTXKMFOTEX-FGTMMUONSA-N 0 3 495.550 3.656 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313922524 1071565057 /nfs/dbraw/zinc/56/50/57/1071565057.db2.gz WXEWGZCFSTYQCB-CEXWTWQISA-N 0 3 491.587 3.607 20 5 JHBDHN CC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306328466 1068767448 /nfs/dbraw/zinc/76/74/48/1068767448.db2.gz JDFRDXNXIANOOV-VQTJNVASSA-N 0 3 455.607 3.506 20 5 JHBDHN CCC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2)CCN1CCOC ZINC001306616195 1069297623 /nfs/dbraw/zinc/29/76/23/1069297623.db2.gz FMXXUSZEQOLFQH-WIYYLYMNSA-N 0 3 474.631 3.544 20 5 JHBDHN CN(C)/C=C/c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907383 721722629 /nfs/dbraw/zinc/72/26/29/721722629.db2.gz RJNZWMZVAYMEPB-FLVSMNSFSA-N 0 3 458.513 3.655 20 5 JHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164977074 722142422 /nfs/dbraw/zinc/14/24/22/722142422.db2.gz ILVQTCDJLUVMFM-VGSWGCGISA-N 0 3 453.930 3.919 20 5 JHBDHN COc1ccc(NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307614802 1070082985 /nfs/dbraw/zinc/08/29/85/1070082985.db2.gz MNUHYKNOYHRMLI-GOSISDBHSA-N 0 3 450.536 3.605 20 5 JHBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001307969612 1070262917 /nfs/dbraw/zinc/26/29/17/1070262917.db2.gz OZSAIYGAWKZKNG-ZDUSSCGKSA-N 0 3 457.234 3.658 20 5 JHBDHN COc1cc(CNCCCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308251253 1070346346 /nfs/dbraw/zinc/34/63/46/1070346346.db2.gz PGHBTNFYUDAKTA-UHFFFAOYSA-N 0 3 451.442 3.891 20 5 JHBDHN CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314649123 1070754134 /nfs/dbraw/zinc/75/41/34/1070754134.db2.gz RZWTWFXUUNALFJ-LJQANCHMSA-N 0 3 456.572 3.833 20 5 JHBDHN CN(C)[C@H](Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001314652024 1070762384 /nfs/dbraw/zinc/76/23/84/1070762384.db2.gz GPEFWCNZAQFYMH-OAQYLSRUSA-N 0 3 496.591 3.647 20 5 JHBDHN COc1cc(S(=O)(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001309908539 1071013168 /nfs/dbraw/zinc/01/31/68/1071013168.db2.gz JFROHLQWRHXKHN-WIOPSUGQSA-N 0 3 481.574 3.940 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313860983 1071373443 /nfs/dbraw/zinc/37/34/43/1071373443.db2.gz NWYWRTXKMFOTEX-SQNIBIBYSA-N 0 3 495.550 3.656 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313919718 1071557776 /nfs/dbraw/zinc/55/77/76/1071557776.db2.gz FRRSXQOWIOAKIS-WOJBJXKFSA-N 0 3 469.634 3.752 20 5 JHBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1Cl ZINC001164960513 722052360 /nfs/dbraw/zinc/05/23/60/722052360.db2.gz QTCPECQOFIXSBT-UHFFFAOYSA-N 0 3 467.904 3.702 20 5 JHBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164961888 722053843 /nfs/dbraw/zinc/05/38/43/722053843.db2.gz XMJSJRQPZPLAJL-UHFFFAOYSA-N 0 3 467.904 3.702 20 5 JHBDHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001306908714 1069681996 /nfs/dbraw/zinc/68/19/96/1069681996.db2.gz NVTWKKDJRRPQOE-FQEVSTJZSA-N 0 3 458.584 3.846 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994009 1069695637 /nfs/dbraw/zinc/69/56/37/1069695637.db2.gz NYUBAYQJTAYCSK-GHTZIAJQSA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306994009 1069695642 /nfs/dbraw/zinc/69/56/42/1069695642.db2.gz NYUBAYQJTAYCSK-GHTZIAJQSA-N 0 3 458.584 3.933 20 5 JHBDHN O=C(CS[C@@H]1CCCN(Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307361096 1069961520 /nfs/dbraw/zinc/96/15/20/1069961520.db2.gz VOFWUZUPKJFEBR-HSZRJFAPSA-N 0 3 454.596 3.641 20 5 JHBDHN CCN(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1)c1ccco1 ZINC001313675346 1070915917 /nfs/dbraw/zinc/91/59/17/1070915917.db2.gz SAJWOCQURKQTBF-UXHICEINSA-N 0 3 454.531 3.755 20 5 JHBDHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001309749033 1070952582 /nfs/dbraw/zinc/95/25/82/1070952582.db2.gz FHDNHAAINRDYBX-LOSJGSFVSA-N 0 3 481.574 3.691 20 5 JHBDHN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313921322 1071561230 /nfs/dbraw/zinc/56/12/30/1071561230.db2.gz PRNJZVPEYWFWMB-IBGZPJMESA-N 0 3 455.607 3.648 20 5 JHBDHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001311380630 1069354042 /nfs/dbraw/zinc/35/40/42/1069354042.db2.gz MGSORJJLXAJOCN-NRFANRHFSA-N 0 3 453.587 3.908 20 5 JHBDHN CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306641049 1069351521 /nfs/dbraw/zinc/35/15/21/1069351521.db2.gz DGLMKDGJUSUZPD-QFIPXVFZSA-N 0 3 455.607 3.648 20 5 JHBDHN COc1cc(N[C@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc(OC)c1 ZINC001307543911 1070043503 /nfs/dbraw/zinc/04/35/03/1070043503.db2.gz QQWDIYCQPYSISK-INIZCTEOSA-N 0 3 458.515 3.526 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313919716 1071557699 /nfs/dbraw/zinc/55/76/99/1071557699.db2.gz FRRSXQOWIOAKIS-UXHICEINSA-N 0 3 469.634 3.752 20 5 JHBDHN CCN1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313921853 1071562326 /nfs/dbraw/zinc/56/23/26/1071562326.db2.gz SZZZSVTWKXKWFL-RBUKOAKNSA-N 0 3 498.657 3.576 20 5 JHBDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313921847 1071562381 /nfs/dbraw/zinc/56/23/81/1071562381.db2.gz SZZZSVTWKXKWFL-MOPGFXCFSA-N 0 3 498.657 3.576 20 5 JHBDHN CN(C)/C=C\c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907384 721722577 /nfs/dbraw/zinc/72/25/77/721722577.db2.gz RJNZWMZVAYMEPB-LPLSSMDUSA-N 0 3 458.513 3.655 20 5 JHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]12 ZINC001307576691 1070061372 /nfs/dbraw/zinc/06/13/72/1070061372.db2.gz OCANYOZOGURLTQ-PSOAEZCFSA-N 0 3 456.587 3.668 20 5 JHBDHN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC001307885368 1070225401 /nfs/dbraw/zinc/22/54/01/1070225401.db2.gz OGRQBLHOOYXEAP-WSTZPKSXSA-N 0 3 454.571 3.971 20 5 JHBDHN COc1cc(CNCCc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308267018 1070348229 /nfs/dbraw/zinc/34/82/29/1070348229.db2.gz VODKFBAENUGSSM-UHFFFAOYSA-N 0 3 455.433 3.579 20 5 JHBDHN COc1cc(CN[C@@H]2CCO[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308434483 1070375290 /nfs/dbraw/zinc/37/52/90/1070375290.db2.gz XCPGRGQSFVOFKB-XXBNENTESA-N 0 3 452.511 3.926 20 5 JHBDHN C[C@H](NC(C)(C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309151977 1070571118 /nfs/dbraw/zinc/57/11/18/1070571118.db2.gz MMHCMBDELQOXGQ-ZDUSSCGKSA-N 0 3 456.362 3.765 20 5 JHBDHN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001314834239 1071172764 /nfs/dbraw/zinc/17/27/64/1071172764.db2.gz SCTNKOZEVVRLMQ-UYAOXDASSA-N 0 3 470.599 3.734 20 5 JHBDHN CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2sc(C)nc2C)CCN1CCOC ZINC001306618090 1069300136 /nfs/dbraw/zinc/30/01/36/1069300136.db2.gz QQKDDSZMMMDRGR-NRFANRHFSA-N 0 3 499.641 3.912 20 5 JHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164973850 722125809 /nfs/dbraw/zinc/12/58/09/722125809.db2.gz HMLPEVIRMNHVRE-UTKZUKDTSA-N 0 3 453.930 3.919 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1Cl ZINC001164982148 722151250 /nfs/dbraw/zinc/15/12/50/722151250.db2.gz RDWRKROPWWLBOG-XXBNENTESA-N 0 3 480.956 3.828 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[N@@H+](C4CC4)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131021 1069898655 /nfs/dbraw/zinc/89/86/55/1069898655.db2.gz XXTAESKSRQQXPW-QGZVFWFLSA-N 0 3 458.584 3.933 20 5 JHBDHN Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[N@H+](C4CC4)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307131021 1069898670 /nfs/dbraw/zinc/89/86/70/1069898670.db2.gz XXTAESKSRQQXPW-QGZVFWFLSA-N 0 3 458.584 3.933 20 5 JHBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001312360318 1069886935 /nfs/dbraw/zinc/88/69/35/1069886935.db2.gz HACJTXGBUZYYGK-UHFFFAOYSA-N 0 3 454.449 3.896 20 5 JHBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309247907 1070643239 /nfs/dbraw/zinc/64/32/39/1070643239.db2.gz CKVGNGWEFGMEFR-WMLDXEAASA-N 0 3 457.474 3.803 20 5 JHBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCC2)C[C@@H]1C ZINC001313860205 1071368052 /nfs/dbraw/zinc/36/80/52/1071368052.db2.gz KKWNKDLGLMFMSY-OALUTQOASA-N 0 3 456.591 3.979 20 5 JHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001310435586 1071389291 /nfs/dbraw/zinc/38/92/91/1071389291.db2.gz JGMXYRMGOZXKEL-HXUWFJFHSA-N 0 3 452.559 3.673 20 5 JHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164874507 721170675 /nfs/dbraw/zinc/17/06/75/721170675.db2.gz KEFUJTMAWDGNHJ-RTBURBONSA-N 0 3 466.929 3.580 20 5 JHBDHN Cc1ccc(CN2CCOC3(CCN(c4cc(/C=C/N(C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939028 721930806 /nfs/dbraw/zinc/93/08/06/721930806.db2.gz HKOGPECFXQJFEA-DHZHZOJOSA-N 0 3 451.571 3.702 20 5 JHBDHN