smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)c(Cl)nn2)cc1 ZINC001164386572 718803757 /nfs/dbraw/zinc/80/37/57/718803757.db2.gz AGJVOIFSQULKEV-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@@H]3C2)cn1 ZINC001164774083 721140458 /nfs/dbraw/zinc/14/04/58/721140458.db2.gz ZUPXZZDSLYIVMJ-PMACEKPBSA-N 1 0 432.959 4.128 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)cc1 ZINC001164994072 722208029 /nfs/dbraw/zinc/20/80/29/722208029.db2.gz FHSQQRYXTLTDLP-DEOSSOPVSA-N 1 0 433.487 4.436 20 5 IIBDRO CSc1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792886 721496831 /nfs/dbraw/zinc/49/68/31/721496831.db2.gz UPUYHBXLMDELKZ-UHFFFAOYSA-N 1 0 448.980 4.036 20 5 IIBDRO Cc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630529 719089842 /nfs/dbraw/zinc/08/98/42/719089842.db2.gz WUTUZSCODSRDSD-URXFXBBRSA-N 1 0 429.524 4.461 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164711800 720155965 /nfs/dbraw/zinc/15/59/65/720155965.db2.gz CCFJGYJANJLLSD-JOCHJYFZSA-N 1 0 447.539 4.046 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164841891 720687261 /nfs/dbraw/zinc/68/72/61/720687261.db2.gz JZUAWQGKJPKOAH-FQEVSTJZSA-N 1 0 432.524 4.403 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164840337 720728273 /nfs/dbraw/zinc/72/82/73/720728273.db2.gz PMXKJIKTSCCLGH-JOCHJYFZSA-N 1 0 432.524 4.403 20 5 IIBDRO Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904803 721696985 /nfs/dbraw/zinc/69/69/85/721696985.db2.gz GOWQRDKAUITDKL-IBGZPJMESA-N 1 0 437.878 4.084 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21 ZINC001165030173 721826715 /nfs/dbraw/zinc/82/67/15/721826715.db2.gz YEEGDWATHZESRL-QTGUNEKASA-N 1 0 444.539 4.184 20 5 IIBDRO Cc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630535 719090087 /nfs/dbraw/zinc/09/00/87/719090087.db2.gz WUTUZSCODSRDSD-ZJSXRUAMSA-N 1 0 429.524 4.461 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165023454 721839854 /nfs/dbraw/zinc/83/98/54/721839854.db2.gz YGKDIVRVHNFYMN-UHFFFAOYSA-N 1 0 434.924 4.070 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)cc1 ZINC001164994073 722207651 /nfs/dbraw/zinc/20/76/51/722207651.db2.gz FHSQQRYXTLTDLP-XMMPIXPASA-N 1 0 433.487 4.436 20 5 IIBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834869 720521759 /nfs/dbraw/zinc/52/17/59/720521759.db2.gz HSLWYORJSSAWNX-KKLQWCBXSA-N 1 0 434.544 4.026 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@@H]2C ZINC001164861012 721021322 /nfs/dbraw/zinc/02/13/22/721021322.db2.gz MQOPFZUIJNFZPX-CQSZACIVSA-N 1 0 428.924 4.414 20 5 IIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907950 721698262 /nfs/dbraw/zinc/69/82/62/721698262.db2.gz XEAWNBOYKDAVCE-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165027499 721806933 /nfs/dbraw/zinc/80/69/33/721806933.db2.gz VYWQGKRETUIRML-YSVLISHTSA-N 1 0 436.343 4.429 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)CC3)C2)cc1 ZINC001164940878 721925506 /nfs/dbraw/zinc/92/55/06/721925506.db2.gz VQQAYNNGUNZEHJ-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001165044547 721939518 /nfs/dbraw/zinc/93/95/18/721939518.db2.gz MUDLHEWHXCMAMZ-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)CC1 ZINC001165042855 721951816 /nfs/dbraw/zinc/95/18/16/721951816.db2.gz UBFSKWIUMSKSIG-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO Cc1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164955271 722020700 /nfs/dbraw/zinc/02/07/00/722020700.db2.gz COMYKUBZXQWKLW-UHFFFAOYSA-N 1 0 444.539 4.248 20 5 IIBDRO CC(C)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1[N+](=O)[O-] ZINC001461632517 1126195505 /nfs/dbraw/zinc/19/55/05/1126195505.db2.gz MKTVZVNRNBJKMD-OAQYLSRUSA-N 1 0 433.346 4.490 20 5 IIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)ccc1F ZINC001164623495 719107562 /nfs/dbraw/zinc/10/75/62/719107562.db2.gz DHUJPTQAHZSKCO-CVDCTZTESA-N 1 0 433.487 4.292 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164860460 721004934 /nfs/dbraw/zinc/00/49/34/721004934.db2.gz OJKNWKLYBQVWLQ-AWEZNQCLSA-N 1 0 428.924 4.414 20 5 IIBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772578 721288004 /nfs/dbraw/zinc/28/80/04/721288004.db2.gz JGRYINQJORBONK-UHFFFAOYSA-N 1 0 432.883 4.497 20 5 IIBDRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)CC1 ZINC001165042488 721951159 /nfs/dbraw/zinc/95/11/59/721951159.db2.gz NEVKKGDMYFHQSV-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)ccc1F ZINC001164964636 722023680 /nfs/dbraw/zinc/02/36/80/722023680.db2.gz XDPKLEQDKWIFMU-UHFFFAOYSA-N 1 0 448.502 4.078 20 5 IIBDRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)CC1 ZINC001164661233 719340747 /nfs/dbraw/zinc/34/07/47/719340747.db2.gz JUPGMPVMMSBXNZ-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842029 720681496 /nfs/dbraw/zinc/68/14/96/720681496.db2.gz LCYNAPASSNVBGD-GOSISDBHSA-N 1 0 430.936 4.212 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001165020410 721842662 /nfs/dbraw/zinc/84/26/62/721842662.db2.gz DFZGPJAZLHRIJQ-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940580 721924247 /nfs/dbraw/zinc/92/42/47/721924247.db2.gz UFXBNGWJBJJHKG-UHFFFAOYSA-N 1 0 430.936 4.131 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000479470382 1126094606 /nfs/dbraw/zinc/09/46/06/1126094606.db2.gz ZEKKCQFMIOXSMK-JOCHJYFZSA-N 1 0 428.492 4.141 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164711804 720156046 /nfs/dbraw/zinc/15/60/46/720156046.db2.gz CCFJGYJANJLLSD-QFIPXVFZSA-N 1 0 447.539 4.046 20 5 IIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842032 720680360 /nfs/dbraw/zinc/68/03/60/720680360.db2.gz LCYNAPASSNVBGD-SFHVURJKSA-N 1 0 430.936 4.212 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164842744 720686199 /nfs/dbraw/zinc/68/61/99/720686199.db2.gz NAGFKBHFFFEEJA-HXUWFJFHSA-N 1 0 432.524 4.403 20 5 IIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164804541 721539681 /nfs/dbraw/zinc/53/96/81/721539681.db2.gz KEZLPEIHUHCXKO-XLGIIRLISA-N 1 0 425.536 4.046 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)c(C)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938985 721924558 /nfs/dbraw/zinc/92/45/58/721924558.db2.gz FZBCNJITVLTREM-UHFFFAOYSA-N 1 0 430.936 4.131 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)CC3)C2)cc1 ZINC001164939868 721925120 /nfs/dbraw/zinc/92/51/20/721925120.db2.gz OQVATEMIPKNHOJ-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cnc1Cl ZINC001164954407 722012767 /nfs/dbraw/zinc/01/27/67/722012767.db2.gz MGWNOCIWPLDUBB-UHFFFAOYSA-N 1 0 437.878 4.076 20 5 IIBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC001203581827 1126159247 /nfs/dbraw/zinc/15/92/47/1126159247.db2.gz ZDHXLMOAYCYNNK-HSZRJFAPSA-N 1 0 442.537 4.424 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164719090 720115484 /nfs/dbraw/zinc/11/54/84/720115484.db2.gz VUBIBOYFOWODGM-NRFANRHFSA-N 1 0 447.539 4.046 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164710829 720136907 /nfs/dbraw/zinc/13/69/07/720136907.db2.gz DJQGTYQMSUHQTL-QFIPXVFZSA-N 1 0 447.539 4.046 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164842742 720685070 /nfs/dbraw/zinc/68/50/70/720685070.db2.gz NAGFKBHFFFEEJA-FQEVSTJZSA-N 1 0 432.524 4.403 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164860465 721005921 /nfs/dbraw/zinc/00/59/21/721005921.db2.gz OJKNWKLYBQVWLQ-CQSZACIVSA-N 1 0 428.924 4.414 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@H+](CC3CC3)C4)c(Cl)nn2)cc1 ZINC001164774420 721303209 /nfs/dbraw/zinc/30/32/09/721303209.db2.gz BOCLEYUXWFEUHR-UHFFFAOYSA-N 1 0 449.889 4.172 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165024091 721810348 /nfs/dbraw/zinc/81/03/48/721810348.db2.gz IPSBTRXRVYRVDZ-JLJPHGGASA-N 1 0 436.343 4.429 20 5 IIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl ZINC001308867031 1126168620 /nfs/dbraw/zinc/16/86/20/1126168620.db2.gz YPCXNVOREIFKIW-SFHVURJKSA-N 1 0 425.710 4.020 20 5 IIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)c(Cl)nn2)c1 ZINC001164386643 718803736 /nfs/dbraw/zinc/80/37/36/718803736.db2.gz BROPAEQDPLGDTL-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)ccc1F ZINC001164623499 719107002 /nfs/dbraw/zinc/10/70/02/719107002.db2.gz DHUJPTQAHZSKCO-WMZHIEFXSA-N 1 0 433.487 4.292 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@@H]2C ZINC001164858016 720972176 /nfs/dbraw/zinc/97/21/76/720972176.db2.gz GGPVBQKWVCYCOU-CQSZACIVSA-N 1 0 428.924 4.414 20 5 IIBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]2CF)CC1 ZINC001164625315 719126242 /nfs/dbraw/zinc/12/62/42/719126242.db2.gz WWMREOWQLBHCFR-CXAGYDPISA-N 1 0 440.853 4.368 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164716957 720113966 /nfs/dbraw/zinc/11/39/66/720113966.db2.gz MIQKEYSWJLGRBC-HXUWFJFHSA-N 1 0 447.539 4.046 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164710828 720136098 /nfs/dbraw/zinc/13/60/98/720136098.db2.gz DJQGTYQMSUHQTL-JOCHJYFZSA-N 1 0 447.539 4.046 20 5 IIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc5cccnc5c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839072 720521739 /nfs/dbraw/zinc/52/17/39/720521739.db2.gz SLXCIOJWXSZMTG-RJGXRXQPSA-N 1 0 426.568 4.357 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164844937 720681997 /nfs/dbraw/zinc/68/19/97/720681997.db2.gz WRUOOZSBMGFDEC-JOCHJYFZSA-N 1 0 432.524 4.403 20 5 IIBDRO O=[N+]([O-])c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164908381 721701412 /nfs/dbraw/zinc/70/14/12/721701412.db2.gz YTQRWSFQRLXJSI-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO CC(C)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1[N+](=O)[O-] ZINC001461632515 1126195481 /nfs/dbraw/zinc/19/54/81/1126195481.db2.gz MKTVZVNRNBJKMD-NRFANRHFSA-N 1 0 433.346 4.490 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164718554 720115566 /nfs/dbraw/zinc/11/55/66/720115566.db2.gz SERBEPCTMQKWCZ-FQEVSTJZSA-N 1 0 447.539 4.046 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164843660 720687069 /nfs/dbraw/zinc/68/70/69/720687069.db2.gz PZIRFCVZPHSJMZ-NRFANRHFSA-N 1 0 432.524 4.403 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164861608 720953682 /nfs/dbraw/zinc/95/36/82/720953682.db2.gz TVCRMTDSLYQKIM-AWEZNQCLSA-N 1 0 428.924 4.414 20 5 IIBDRO c1cnc2c(c1)ccc1ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc12 ZINC001164961940 722053862 /nfs/dbraw/zinc/05/38/62/722053862.db2.gz ZLUUKOPWSMHYOO-UHFFFAOYSA-N 1 0 439.563 4.297 20 5 IIBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001620623689 1126241158 /nfs/dbraw/zinc/24/11/58/1126241158.db2.gz DWLAQVPVGFHFPO-HXUWFJFHSA-N 1 0 446.301 4.096 20 5 IIBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001620902276 1126242978 /nfs/dbraw/zinc/24/29/78/1126242978.db2.gz BYPDQZJHRUYPPX-HSZRJFAPSA-N 1 0 442.519 4.449 20 5 IIBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793974 721491281 /nfs/dbraw/zinc/49/12/81/721491281.db2.gz ZNZKHDPWUTWWDJ-UHFFFAOYSA-N 1 0 448.980 4.036 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027495 721806680 /nfs/dbraw/zinc/80/66/80/721806680.db2.gz VYWQGKRETUIRML-JLJPHGGASA-N 1 0 436.343 4.429 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165023485 721840199 /nfs/dbraw/zinc/84/01/99/721840199.db2.gz ZNCQJAHORPGECI-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953589 722015344 /nfs/dbraw/zinc/01/53/44/722015344.db2.gz VMPWVRPSIDBLKL-UHFFFAOYSA-N 1 0 438.919 4.079 20 5 IIBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001308119024 1126164294 /nfs/dbraw/zinc/16/42/94/1126164294.db2.gz YFFKANFVRZBPEI-KRWDZBQOSA-N 1 0 447.251 4.459 20 5 IIBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001308119025 1126164416 /nfs/dbraw/zinc/16/44/16/1126164416.db2.gz YFFKANFVRZBPEI-QGZVFWFLSA-N 1 0 447.251 4.459 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3O)o2)c(Br)c1 ZINC001308548302 1126167973 /nfs/dbraw/zinc/16/79/73/1126167973.db2.gz ZLJMRERZEAYXQD-UYAOXDASSA-N 1 0 429.270 4.365 20 5 IIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)ccc1F ZINC001164623504 719107230 /nfs/dbraw/zinc/10/72/30/719107230.db2.gz DHUJPTQAHZSKCO-XXBNENTESA-N 1 0 433.487 4.292 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164711679 720128934 /nfs/dbraw/zinc/12/89/34/720128934.db2.gz HVLUQVBWFXNCSC-OAQYLSRUSA-N 1 0 447.539 4.046 20 5 IIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841652 720640561 /nfs/dbraw/zinc/64/05/61/720640561.db2.gz UAVUJJFELWFDRU-FDFHNCONSA-N 1 0 446.555 4.231 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164844938 720680456 /nfs/dbraw/zinc/68/04/56/720680456.db2.gz WRUOOZSBMGFDEC-QFIPXVFZSA-N 1 0 432.524 4.403 20 5 IIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164796692 721500138 /nfs/dbraw/zinc/50/01/38/721500138.db2.gz VJRFMYRSTJWQBU-UHFFFAOYSA-N 1 0 444.539 4.328 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164939369 721925802 /nfs/dbraw/zinc/92/58/02/721925802.db2.gz KLTFKURBOBUIPQ-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164952230 722014824 /nfs/dbraw/zinc/01/48/24/722014824.db2.gz KAHRBRDVKIZBIA-UHFFFAOYSA-N 1 0 437.878 4.076 20 5 IIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995611 722209893 /nfs/dbraw/zinc/20/98/93/722209893.db2.gz OORPVHNQHANXCR-DEOSSOPVSA-N 1 0 433.487 4.436 20 5 IIBDRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2ccc([N+](=O)[O-])cc12 ZINC001164695734 719888798 /nfs/dbraw/zinc/88/87/98/719888798.db2.gz UDCFWXMOYISBME-UHFFFAOYSA-N 1 0 438.553 4.384 20 5 IIBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834868 720522369 /nfs/dbraw/zinc/52/23/69/720522369.db2.gz HSLWYORJSSAWNX-JXHRLWIKSA-N 1 0 434.544 4.026 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@H]2C ZINC001164861011 721020856 /nfs/dbraw/zinc/02/08/56/721020856.db2.gz MQOPFZUIJNFZPX-AWEZNQCLSA-N 1 0 428.924 4.414 20 5 IIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164758747 721043382 /nfs/dbraw/zinc/04/33/82/721043382.db2.gz BFICQIQXAGGISZ-UHFFFAOYSA-N 1 0 425.489 4.089 20 5 IIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@H]3C2)cn1 ZINC001164774091 721139478 /nfs/dbraw/zinc/13/94/78/721139478.db2.gz ZUPXZZDSLYIVMJ-VQTJNVASSA-N 1 0 432.959 4.128 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027497 721806407 /nfs/dbraw/zinc/80/64/07/721806407.db2.gz VYWQGKRETUIRML-UKPHBRMFSA-N 1 0 436.343 4.429 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165024098 721810394 /nfs/dbraw/zinc/81/03/94/721810394.db2.gz IPSBTRXRVYRVDZ-YSVLISHTSA-N 1 0 436.343 4.429 20 5 IIBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001165044551 721939462 /nfs/dbraw/zinc/93/94/62/721939462.db2.gz MXKNOYMATURRBB-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)CC1 ZINC001165042282 721951580 /nfs/dbraw/zinc/95/15/80/721951580.db2.gz HFXWVRMBNXQNHL-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)c(Br)c1 ZINC001560460389 1126211294 /nfs/dbraw/zinc/21/12/94/1126211294.db2.gz XYPZKAXBSJDVPE-OAHLLOKOSA-N 1 0 449.276 4.450 20 5 IIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC001164841655 720640476 /nfs/dbraw/zinc/64/04/76/720640476.db2.gz UAVUJJFELWFDRU-FKBYEOEOSA-N 1 0 446.555 4.231 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164841050 720701814 /nfs/dbraw/zinc/70/18/14/720701814.db2.gz HHOBYHCZNORGQX-NRFANRHFSA-N 1 0 432.524 4.403 20 5 IIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164912584 721737659 /nfs/dbraw/zinc/73/76/59/721737659.db2.gz NZPWZCHTYRZTTO-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165024088 721810360 /nfs/dbraw/zinc/81/03/60/721810360.db2.gz IPSBTRXRVYRVDZ-FRFSOERESA-N 1 0 436.343 4.429 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21 ZINC001165027002 721823083 /nfs/dbraw/zinc/82/30/83/721823083.db2.gz QQRFWAREXCRODX-ZFJSRUIDSA-N 1 0 444.539 4.184 20 5 IIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001307929020 1126162068 /nfs/dbraw/zinc/16/20/68/1126162068.db2.gz RSYJLFUUTDINSJ-GOSISDBHSA-N 1 0 425.710 4.020 20 5 IIBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628867 719098706 /nfs/dbraw/zinc/09/87/06/719098706.db2.gz PGJWNBYCUPVVGY-UONOGXRCSA-N 1 0 441.841 4.158 20 5 IIBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834870 720521828 /nfs/dbraw/zinc/52/18/28/720521828.db2.gz HSLWYORJSSAWNX-QMHWCDLVSA-N 1 0 434.544 4.026 20 5 IIBDRO Clc1ccc2ccc3ccc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)nc3c2n1 ZINC001164728842 720567639 /nfs/dbraw/zinc/56/76/39/720567639.db2.gz NELTWXWKAPRNMH-UHFFFAOYSA-N 1 0 432.959 4.291 20 5 IIBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164840569 720682041 /nfs/dbraw/zinc/68/20/41/720682041.db2.gz GSTMGITZBYLFCP-SFHVURJKSA-N 1 0 430.936 4.212 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164861625 720954371 /nfs/dbraw/zinc/95/43/71/720954371.db2.gz TVCRMTDSLYQKIM-CQSZACIVSA-N 1 0 428.924 4.414 20 5 IIBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nc3c2n1 ZINC001164865740 721094460 /nfs/dbraw/zinc/09/44/60/721094460.db2.gz OWVKQHNBRNRENK-RTWAWAEBSA-N 1 0 445.954 4.311 20 5 IIBDRO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908517 721697911 /nfs/dbraw/zinc/69/79/11/721697911.db2.gz ZUQKUOBWLSKIQE-IBGZPJMESA-N 1 0 437.878 4.084 20 5 IIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001164839073 720522327 /nfs/dbraw/zinc/52/23/27/720522327.db2.gz SLXCIOJWXSZMTG-VABKMULXSA-N 1 0 426.568 4.357 20 5 IIBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164840568 720680768 /nfs/dbraw/zinc/68/07/68/720680768.db2.gz GSTMGITZBYLFCP-GOSISDBHSA-N 1 0 430.936 4.212 20 5 IIBDRO CCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164863125 721010679 /nfs/dbraw/zinc/01/06/79/721010679.db2.gz TYVIUSMUSUAVBR-QGZVFWFLSA-N 1 0 449.559 4.232 20 5 IIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164760576 721044806 /nfs/dbraw/zinc/04/48/06/721044806.db2.gz WTVKGDNOZGZNLU-UHFFFAOYSA-N 1 0 430.936 4.073 20 5 IIBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nc3c2n1 ZINC001164865739 721094003 /nfs/dbraw/zinc/09/40/03/721094003.db2.gz OWVKQHNBRNRENK-NHCUHLMSSA-N 1 0 445.954 4.311 20 5 IIBDRO CC(C)Oc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164795709 721501850 /nfs/dbraw/zinc/50/18/50/721501850.db2.gz JVQWQGHVZQFQDJ-UHFFFAOYSA-N 1 0 425.533 4.053 20 5 IIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906626 721701783 /nfs/dbraw/zinc/70/17/83/721701783.db2.gz NQNXBZMMJDKTKN-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165031214 721845148 /nfs/dbraw/zinc/84/51/48/721845148.db2.gz YIFNDTHIIFSFDY-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)CC3)C2)cc1 ZINC001164945790 721933041 /nfs/dbraw/zinc/93/30/41/721933041.db2.gz WZBKPODUBFGAKQ-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952483 722015426 /nfs/dbraw/zinc/01/54/26/722015426.db2.gz LPYSYOBWNUUTQP-UHFFFAOYSA-N 1 0 438.919 4.079 20 5 IIBDRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164955220 722022937 /nfs/dbraw/zinc/02/29/37/722022937.db2.gz AJMYMQGYVFBFGU-UHFFFAOYSA-N 1 0 444.539 4.248 20 5 IIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164692798 719806338 /nfs/dbraw/zinc/80/63/38/719806338.db2.gz MWRSFGVTAIKTLN-UHFFFAOYSA-N 1 0 443.360 4.092 20 5 IIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC001164841658 720640582 /nfs/dbraw/zinc/64/05/82/720640582.db2.gz UAVUJJFELWFDRU-FSSWDIPSSA-N 1 0 446.555 4.231 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842345 720709076 /nfs/dbraw/zinc/70/90/76/720709076.db2.gz YRIOQPCJBLFYSS-QFIPXVFZSA-N 1 0 432.524 4.403 20 5 IIBDRO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904808 721696400 /nfs/dbraw/zinc/69/64/00/721696400.db2.gz GOWQRDKAUITDKL-LJQANCHMSA-N 1 0 437.878 4.084 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165024094 721810317 /nfs/dbraw/zinc/81/03/17/721810317.db2.gz IPSBTRXRVYRVDZ-UKPHBRMFSA-N 1 0 436.343 4.429 20 5 IIBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164613950 719025386 /nfs/dbraw/zinc/02/53/86/719025386.db2.gz KQXHWSOOMMKPAV-UHFFFAOYSA-N 1 0 446.935 4.040 20 5 IIBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]2CF)CC1 ZINC001164625319 719126889 /nfs/dbraw/zinc/12/68/89/719126889.db2.gz WWMREOWQLBHCFR-DYVFJYSZSA-N 1 0 440.853 4.368 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164711676 720128504 /nfs/dbraw/zinc/12/85/04/720128504.db2.gz HVLUQVBWFXNCSC-NRFANRHFSA-N 1 0 447.539 4.046 20 5 IIBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834867 720522068 /nfs/dbraw/zinc/52/20/68/720522068.db2.gz HSLWYORJSSAWNX-GREBRCKQSA-N 1 0 434.544 4.026 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@H]2C ZINC001164862422 721021161 /nfs/dbraw/zinc/02/11/61/721021161.db2.gz QGXQBZBAJAUMDG-INIZCTEOSA-N 1 0 438.507 4.414 20 5 IIBDRO Cc1ccc(-c2nc3sccc3c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cc1[N+](=O)[O-] ZINC001164770218 721298816 /nfs/dbraw/zinc/29/88/16/721298816.db2.gz QGKNGIAVPCYFSW-UHFFFAOYSA-N 1 0 435.553 4.497 20 5 IIBDRO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908518 721698256 /nfs/dbraw/zinc/69/82/56/721698256.db2.gz ZUQKUOBWLSKIQE-LJQANCHMSA-N 1 0 437.878 4.084 20 5 IIBDRO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164907019 721699946 /nfs/dbraw/zinc/69/99/46/721699946.db2.gz QGXOECYUXTZRBX-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO O=[N+]([O-])c1cccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164908379 721701592 /nfs/dbraw/zinc/70/15/92/721701592.db2.gz YTQRWSFQRLXJSI-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165022406 721840741 /nfs/dbraw/zinc/84/07/41/721840741.db2.gz SFPLYUCLZGWTOL-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001461438130 1126194839 /nfs/dbraw/zinc/19/48/39/1126194839.db2.gz VWCQTOTXCGVWLS-QHCPKHFHSA-N 1 0 442.519 4.449 20 5 IIBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)CC1 ZINC001164617175 719035067 /nfs/dbraw/zinc/03/50/67/719035067.db2.gz IUPIADWCIMMEJV-UHFFFAOYSA-N 1 0 446.935 4.040 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164841052 720700451 /nfs/dbraw/zinc/70/04/51/720700451.db2.gz HHOBYHCZNORGQX-OAQYLSRUSA-N 1 0 432.524 4.403 20 5 IIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@H+](CC3CC3)C4)c(Cl)nn2)c1 ZINC001164775490 721303432 /nfs/dbraw/zinc/30/34/32/721303432.db2.gz XTFIERBBDMVQMD-UHFFFAOYSA-N 1 0 449.889 4.172 20 5 IIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@H]2CCCO[C@@H]12 ZINC001164804540 721540116 /nfs/dbraw/zinc/54/01/16/721540116.db2.gz KEZLPEIHUHCXKO-VVZHRXSXSA-N 1 0 425.536 4.046 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1 ZINC001164939430 721929717 /nfs/dbraw/zinc/92/97/17/721929717.db2.gz LBSPVQHPMPLZKR-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)Cc4ccccc4C3)o2)c(Br)c1 ZINC000553457206 1126096954 /nfs/dbraw/zinc/09/69/54/1126096954.db2.gz MUDWWAMEXHSQJN-UHFFFAOYSA-N 1 0 443.297 4.237 20 5 IIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001307929022 1126162036 /nfs/dbraw/zinc/16/20/36/1126162036.db2.gz RSYJLFUUTDINSJ-SFHVURJKSA-N 1 0 425.710 4.020 20 5 IIBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]2CF)CC1 ZINC001164625328 719127126 /nfs/dbraw/zinc/12/71/26/719127126.db2.gz WWMREOWQLBHCFR-SUMWQHHRSA-N 1 0 440.853 4.368 20 5 IIBDRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)CC1 ZINC001164662758 719340834 /nfs/dbraw/zinc/34/08/34/719340834.db2.gz RLYOKKVDUYRZFL-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@@H]3C2)cn1 ZINC001164774087 721140050 /nfs/dbraw/zinc/14/00/50/721140050.db2.gz ZUPXZZDSLYIVMJ-UXHICEINSA-N 1 0 432.959 4.128 20 5 IIBDRO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164907022 721700331 /nfs/dbraw/zinc/70/03/31/721700331.db2.gz QGXOECYUXTZRBX-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21 ZINC001165027000 721823036 /nfs/dbraw/zinc/82/30/36/721823036.db2.gz QQRFWAREXCRODX-NGYIFUPDSA-N 1 0 444.539 4.184 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165020243 721840081 /nfs/dbraw/zinc/84/00/81/721840081.db2.gz GNWIOPAIYXHYRK-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[NH+](C3CCCC3)CC2)c(Cl)nn1 ZINC001165033263 721862483 /nfs/dbraw/zinc/86/24/83/721862483.db2.gz IPDRRVPNGARDER-UHFFFAOYSA-N 1 0 437.878 4.315 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000438361978 1126093178 /nfs/dbraw/zinc/09/31/78/1126093178.db2.gz ZEKKCQFMIOXSMK-QFIPXVFZSA-N 1 0 428.492 4.141 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164420427 718912337 /nfs/dbraw/zinc/91/23/37/718912337.db2.gz IXUZCTHYQFLWMJ-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCCCC23CC[NH2+]CC3)c(Cl)nn1 ZINC001164419837 718913031 /nfs/dbraw/zinc/91/30/31/718913031.db2.gz CQRLKRASGHFVEQ-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC3)cs1 ZINC001164692716 719814358 /nfs/dbraw/zinc/81/43/58/719814358.db2.gz RJNZYHYLDKXUEZ-UHFFFAOYSA-N 1 0 431.562 4.177 20 5 IIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001164839074 720522122 /nfs/dbraw/zinc/52/21/22/720522122.db2.gz SLXCIOJWXSZMTG-VJBWXMMDSA-N 1 0 426.568 4.357 20 5 IIBDRO Cc1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164845238 720679875 /nfs/dbraw/zinc/67/98/75/720679875.db2.gz XCFMZWOEESOCKZ-SFHVURJKSA-N 1 0 430.936 4.212 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164841893 720687651 /nfs/dbraw/zinc/68/76/51/720687651.db2.gz JZUAWQGKJPKOAH-HXUWFJFHSA-N 1 0 432.524 4.403 20 5 IIBDRO CCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164863122 721010864 /nfs/dbraw/zinc/01/08/64/721010864.db2.gz TYVIUSMUSUAVBR-KRWDZBQOSA-N 1 0 449.559 4.232 20 5 IIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@H]2CCCO[C@H]12 ZINC001164804538 721539909 /nfs/dbraw/zinc/53/99/09/721539909.db2.gz KEZLPEIHUHCXKO-VRUMLPLGSA-N 1 0 425.536 4.046 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001165022372 721840017 /nfs/dbraw/zinc/84/00/17/721840017.db2.gz RQNGVDXGFOTKAX-UHFFFAOYSA-N 1 0 434.924 4.070 20 5 IIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171949007 1126148574 /nfs/dbraw/zinc/14/85/74/1126148574.db2.gz IWZKYBIJBBZCPV-SFHVURJKSA-N 1 0 425.710 4.020 20 5 IIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)c(Cl)nn1 ZINC001164387761 718803705 /nfs/dbraw/zinc/80/37/05/718803705.db2.gz OWQKVDBXPLBSAB-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164717495 720111271 /nfs/dbraw/zinc/11/12/71/720111271.db2.gz PONBVFTZUHMXIQ-QFIPXVFZSA-N 1 0 447.539 4.046 20 5 IIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc5cccnc5c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839075 720521932 /nfs/dbraw/zinc/52/19/32/720521932.db2.gz SLXCIOJWXSZMTG-XPWALMASSA-N 1 0 426.568 4.357 20 5 IIBDRO O=[N+]([O-])c1ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907952 721698033 /nfs/dbraw/zinc/69/80/33/721698033.db2.gz XEAWNBOYKDAVCE-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21 ZINC001165030174 721826780 /nfs/dbraw/zinc/82/67/80/721826780.db2.gz YEEGDWATHZESRL-RZFNWQHOSA-N 1 0 444.539 4.184 20 5 IIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953585 722015745 /nfs/dbraw/zinc/01/57/45/722015745.db2.gz VHJQYZBZZXMYOI-UHFFFAOYSA-N 1 0 437.878 4.076 20 5 IIBDRO Cc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630526 719090028 /nfs/dbraw/zinc/09/00/28/719090028.db2.gz WUTUZSCODSRDSD-QPPBQGQZSA-N 1 0 429.524 4.461 20 5 IIBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628866 719098412 /nfs/dbraw/zinc/09/84/12/719098412.db2.gz PGJWNBYCUPVVGY-KGLIPLIRSA-N 1 0 441.841 4.158 20 5 IIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164716956 720114329 /nfs/dbraw/zinc/11/43/29/720114329.db2.gz MIQKEYSWJLGRBC-FQEVSTJZSA-N 1 0 447.539 4.046 20 5 IIBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC001203581828 1126159230 /nfs/dbraw/zinc/15/92/30/1126159230.db2.gz ZDHXLMOAYCYNNK-QHCPKHFHSA-N 1 0 442.537 4.424 20 5 IIBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628865 719098215 /nfs/dbraw/zinc/09/82/15/719098215.db2.gz PGJWNBYCUPVVGY-KBPBESRZSA-N 1 0 441.841 4.158 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164719091 720114865 /nfs/dbraw/zinc/11/48/65/720114865.db2.gz VUBIBOYFOWODGM-OAQYLSRUSA-N 1 0 447.539 4.046 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842344 720708211 /nfs/dbraw/zinc/70/82/11/720708211.db2.gz YRIOQPCJBLFYSS-JOCHJYFZSA-N 1 0 432.524 4.403 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@@H]2C ZINC001164862426 721020633 /nfs/dbraw/zinc/02/06/33/721020633.db2.gz QGXQBZBAJAUMDG-MRXNPFEDSA-N 1 0 438.507 4.414 20 5 IIBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nc3c2n1 ZINC001164865741 721095006 /nfs/dbraw/zinc/09/50/06/721095006.db2.gz OWVKQHNBRNRENK-SFTDATJTSA-N 1 0 445.954 4.311 20 5 IIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905615 721698110 /nfs/dbraw/zinc/69/81/10/721698110.db2.gz KEUVTWCJCKYRIU-LJQANCHMSA-N 1 0 437.878 4.084 20 5 IIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164912583 721737433 /nfs/dbraw/zinc/73/74/33/721737433.db2.gz NZPWZCHTYRZTTO-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165027493 721806523 /nfs/dbraw/zinc/80/65/23/721806523.db2.gz VYWQGKRETUIRML-FRFSOERESA-N 1 0 436.343 4.429 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)CC3)C2)cc1 ZINC001164938899 721924339 /nfs/dbraw/zinc/92/43/39/721924339.db2.gz AGWQZIBMAIAYBA-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001620902277 1126242964 /nfs/dbraw/zinc/24/29/64/1126242964.db2.gz BYPDQZJHRUYPPX-QHCPKHFHSA-N 1 0 442.519 4.449 20 5 IIBDRO Cc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630532 719090215 /nfs/dbraw/zinc/09/02/15/719090215.db2.gz WUTUZSCODSRDSD-XUZZJYLKSA-N 1 0 429.524 4.461 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164717494 720110740 /nfs/dbraw/zinc/11/07/40/720110740.db2.gz PONBVFTZUHMXIQ-JOCHJYFZSA-N 1 0 447.539 4.046 20 5 IIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841650 720640869 /nfs/dbraw/zinc/64/08/69/720640869.db2.gz UAVUJJFELWFDRU-BHIFYINESA-N 1 0 446.555 4.231 20 5 IIBDRO Cc1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164845237 720678459 /nfs/dbraw/zinc/67/84/59/720678459.db2.gz XCFMZWOEESOCKZ-GOSISDBHSA-N 1 0 430.936 4.212 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164840339 720727857 /nfs/dbraw/zinc/72/78/57/720727857.db2.gz PMXKJIKTSCCLGH-QFIPXVFZSA-N 1 0 432.524 4.403 20 5 IIBDRO Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nc3c2n1 ZINC001164865738 721094711 /nfs/dbraw/zinc/09/47/11/721094711.db2.gz OWVKQHNBRNRENK-LEWJYISDSA-N 1 0 445.954 4.311 20 5 IIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995613 722209925 /nfs/dbraw/zinc/20/99/25/722209925.db2.gz OORPVHNQHANXCR-XMMPIXPASA-N 1 0 433.487 4.436 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)c(Br)c1 ZINC001560460388 1126211260 /nfs/dbraw/zinc/21/12/60/1126211260.db2.gz XYPZKAXBSJDVPE-HNNXBMFYSA-N 1 0 449.276 4.450 20 5 IIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)ccc1F ZINC001164623490 719107243 /nfs/dbraw/zinc/10/72/43/719107243.db2.gz DHUJPTQAHZSKCO-AUSIDOKSSA-N 1 0 433.487 4.292 20 5 IIBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC3)CC2)cc1 ZINC001164758722 721044598 /nfs/dbraw/zinc/04/45/98/721044598.db2.gz AYTTYBZRUJKNMZ-UHFFFAOYSA-N 1 0 430.936 4.073 20 5 IIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H]2CCCO[C@H]12 ZINC001164804537 721540125 /nfs/dbraw/zinc/54/01/25/721540125.db2.gz KEZLPEIHUHCXKO-DRLORSAXSA-N 1 0 425.536 4.046 20 5 IIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905613 721698596 /nfs/dbraw/zinc/69/85/96/721698596.db2.gz KEUVTWCJCKYRIU-IBGZPJMESA-N 1 0 437.878 4.084 20 5 IIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907362 721719928 /nfs/dbraw/zinc/71/99/28/721719928.db2.gz RCSDJSHUCMYPHL-QFIPXVFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21 ZINC001165027001 721823230 /nfs/dbraw/zinc/82/32/30/721823230.db2.gz QQRFWAREXCRODX-WNOPAQSVSA-N 1 0 444.539 4.184 20 5 IIBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]2CF)CC1 ZINC001164625324 719127440 /nfs/dbraw/zinc/12/74/40/719127440.db2.gz WWMREOWQLBHCFR-GUYCJALGSA-N 1 0 440.853 4.368 20 5 IIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164843661 720687684 /nfs/dbraw/zinc/68/76/84/720687684.db2.gz PZIRFCVZPHSJMZ-OAQYLSRUSA-N 1 0 432.524 4.403 20 5 IIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@H]2C ZINC001164858014 720972313 /nfs/dbraw/zinc/97/23/13/720972313.db2.gz GGPVBQKWVCYCOU-AWEZNQCLSA-N 1 0 428.924 4.414 20 5 IIBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907355 721720824 /nfs/dbraw/zinc/72/08/24/721720824.db2.gz RCSDJSHUCMYPHL-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21 ZINC001165026999 721822976 /nfs/dbraw/zinc/82/29/76/721822976.db2.gz QQRFWAREXCRODX-BPUDTRNYSA-N 1 0 444.539 4.184 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21 ZINC001165030171 721826855 /nfs/dbraw/zinc/82/68/55/721826855.db2.gz YEEGDWATHZESRL-AVCGJXAMSA-N 1 0 444.539 4.184 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[NH+](C4CCCC4)CC3)c(Cl)nn2)cc1 ZINC001165033411 721862421 /nfs/dbraw/zinc/86/24/21/721862421.db2.gz NKFLCDHMAXZVIH-UHFFFAOYSA-N 1 0 437.878 4.315 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)Cc3ccccc3)o2)c(Br)c1 ZINC000438352430 1126093247 /nfs/dbraw/zinc/09/32/47/1126093247.db2.gz HKGTZTPBNUBUNK-HNNXBMFYSA-N 1 0 431.286 4.311 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)Cc3ccccc3)o2)c(Br)c1 ZINC000479463980 1126094594 /nfs/dbraw/zinc/09/45/94/1126094594.db2.gz HKGTZTPBNUBUNK-OAHLLOKOSA-N 1 0 431.286 4.311 20 5 IIBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000609708709 1126100773 /nfs/dbraw/zinc/10/07/73/1126100773.db2.gz RMZIDJUQLMPSIL-UHFFFAOYSA-N 1 0 440.503 4.067 20 5 IIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164420008 718912059 /nfs/dbraw/zinc/91/20/59/718912059.db2.gz FTVIISWCHWPSAP-UHFFFAOYSA-N 1 0 437.878 4.363 20 5 IIBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC001164617566 719032300 /nfs/dbraw/zinc/03/23/00/719032300.db2.gz MAFKDXOAUXLOQB-UHFFFAOYSA-N 1 0 446.935 4.040 20 5 IIBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628868 719098050 /nfs/dbraw/zinc/09/80/50/719098050.db2.gz PGJWNBYCUPVVGY-ZIAGYGMSSA-N 1 0 441.841 4.158 20 5 IIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164718555 720115123 /nfs/dbraw/zinc/11/51/23/720115123.db2.gz SERBEPCTMQKWCZ-HXUWFJFHSA-N 1 0 447.539 4.046 20 5 IIBDRO O=[N+]([O-])c1cccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906617 721701986 /nfs/dbraw/zinc/70/19/86/721701986.db2.gz NQNXBZMMJDKTKN-JOCHJYFZSA-N 1 0 439.466 4.276 20 5 IIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165020421 721840882 /nfs/dbraw/zinc/84/08/82/721840882.db2.gz ITIQIKDUNVMXOH-UHFFFAOYSA-N 1 0 436.512 4.261 20 5 IIBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001165043730 721939484 /nfs/dbraw/zinc/93/94/84/721939484.db2.gz DGKOWFRFPCAJKE-UHFFFAOYSA-N 1 0 425.867 4.028 20 5 IIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164962669 722025139 /nfs/dbraw/zinc/02/51/39/722025139.db2.gz QSKOEMJHZWANAA-UHFFFAOYSA-N 1 0 438.919 4.079 20 5 IIBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001461438125 1126194772 /nfs/dbraw/zinc/19/47/72/1126194772.db2.gz VWCQTOTXCGVWLS-HSZRJFAPSA-N 1 0 442.519 4.449 20 5 IIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@H]3C2)cn1 ZINC001164774096 721139800 /nfs/dbraw/zinc/13/98/00/721139800.db2.gz ZUPXZZDSLYIVMJ-WOJBJXKFSA-N 1 0 432.959 4.128 20 5 IIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21 ZINC001165030172 721826906 /nfs/dbraw/zinc/82/69/06/721826906.db2.gz YEEGDWATHZESRL-JMUQELJHSA-N 1 0 444.539 4.184 20 5 IIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5ccccc5cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938663 721928867 /nfs/dbraw/zinc/92/88/67/721928867.db2.gz DEERCCUJFWSAQJ-UHFFFAOYSA-N 1 0 432.524 4.323 20 5 IIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171949006 1126148697 /nfs/dbraw/zinc/14/86/97/1126148697.db2.gz IWZKYBIJBBZCPV-GOSISDBHSA-N 1 0 425.710 4.020 20 5 IIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl ZINC001308867030 1126168638 /nfs/dbraw/zinc/16/86/38/1126168638.db2.gz YPCXNVOREIFKIW-GOSISDBHSA-N 1 0 425.710 4.020 20 5 IIBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001620623688 1126241230 /nfs/dbraw/zinc/24/12/30/1126241230.db2.gz DWLAQVPVGFHFPO-FQEVSTJZSA-N 1 0 446.301 4.096 20 5 IIBDRO