smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164655204 719317456 /nfs/dbraw/zinc/31/74/56/719317456.db2.gz VGIPSQVURVUIMX-UHFFFAOYSA-N 1 1 438.507 4.198 20 5 IIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@@H]3C2)cn1 ZINC001164774083 721140470 /nfs/dbraw/zinc/14/04/70/721140470.db2.gz ZUPXZZDSLYIVMJ-PMACEKPBSA-N 1 1 432.959 4.128 20 5 IIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)cc1 ZINC001164994072 722208032 /nfs/dbraw/zinc/20/80/32/722208032.db2.gz FHSQQRYXTLTDLP-DEOSSOPVSA-N 1 1 433.487 4.436 20 5 IIBDMO CSc1nc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792886 721496832 /nfs/dbraw/zinc/49/68/32/721496832.db2.gz UPUYHBXLMDELKZ-UHFFFAOYSA-N 1 1 448.980 4.036 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164909572 721758082 /nfs/dbraw/zinc/75/80/82/721758082.db2.gz IFXJBKQJIMEFBH-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164909572 721758086 /nfs/dbraw/zinc/75/80/86/721758086.db2.gz IFXJBKQJIMEFBH-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO Cc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630529 719089847 /nfs/dbraw/zinc/08/98/47/719089847.db2.gz WUTUZSCODSRDSD-URXFXBBRSA-N 1 1 429.524 4.461 20 5 IIBDMO CCc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164650485 719316162 /nfs/dbraw/zinc/31/61/62/719316162.db2.gz DZFVYVFCXRHZLE-UHFFFAOYSA-N 1 1 449.559 4.016 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164711800 720155971 /nfs/dbraw/zinc/15/59/71/720155971.db2.gz CCFJGYJANJLLSD-JOCHJYFZSA-N 1 1 447.539 4.046 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164841891 720687273 /nfs/dbraw/zinc/68/72/73/720687273.db2.gz JZUAWQGKJPKOAH-FQEVSTJZSA-N 1 1 432.524 4.403 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164840337 720728284 /nfs/dbraw/zinc/72/82/84/720728284.db2.gz PMXKJIKTSCCLGH-JOCHJYFZSA-N 1 1 432.524 4.403 20 5 IIBDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904803 721696988 /nfs/dbraw/zinc/69/69/88/721696988.db2.gz GOWQRDKAUITDKL-IBGZPJMESA-N 1 1 437.878 4.084 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21 ZINC001165030173 721826716 /nfs/dbraw/zinc/82/67/16/721826716.db2.gz YEEGDWATHZESRL-QTGUNEKASA-N 1 1 444.539 4.184 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993678 722196233 /nfs/dbraw/zinc/19/62/33/722196233.db2.gz HIOCJUFJBYRQLQ-SFHVURJKSA-N 1 1 426.279 4.076 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993678 722196236 /nfs/dbraw/zinc/19/62/36/722196236.db2.gz HIOCJUFJBYRQLQ-SFHVURJKSA-N 1 1 426.279 4.076 20 5 IIBDMO Cc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630535 719090091 /nfs/dbraw/zinc/09/00/91/719090091.db2.gz WUTUZSCODSRDSD-ZJSXRUAMSA-N 1 1 429.524 4.461 20 5 IIBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)cc1 ZINC001164994073 722207654 /nfs/dbraw/zinc/20/76/54/722207654.db2.gz FHSQQRYXTLTDLP-XMMPIXPASA-N 1 1 433.487 4.436 20 5 IIBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834869 720521761 /nfs/dbraw/zinc/52/17/61/720521761.db2.gz HSLWYORJSSAWNX-KKLQWCBXSA-N 1 1 434.544 4.026 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@@H]2C ZINC001164861012 721021328 /nfs/dbraw/zinc/02/13/28/721021328.db2.gz MQOPFZUIJNFZPX-CQSZACIVSA-N 1 1 428.924 4.414 20 5 IIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907950 721698264 /nfs/dbraw/zinc/69/82/64/721698264.db2.gz XEAWNBOYKDAVCE-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165027499 721806934 /nfs/dbraw/zinc/80/69/34/721806934.db2.gz VYWQGKRETUIRML-YSVLISHTSA-N 1 1 436.343 4.429 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)CC3)C2)cc1 ZINC001164940878 721925507 /nfs/dbraw/zinc/92/55/07/721925507.db2.gz VQQAYNNGUNZEHJ-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO Cc1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164955271 722020702 /nfs/dbraw/zinc/02/07/02/722020702.db2.gz COMYKUBZXQWKLW-UHFFFAOYSA-N 1 1 444.539 4.248 20 5 IIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)ccc1F ZINC001164623495 719107571 /nfs/dbraw/zinc/10/75/71/719107571.db2.gz DHUJPTQAHZSKCO-CVDCTZTESA-N 1 1 433.487 4.292 20 5 IIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694961 719889693 /nfs/dbraw/zinc/88/96/93/719889693.db2.gz IMCFKLNFDMMKFY-UHFFFAOYSA-N 1 1 443.356 4.230 20 5 IIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694961 719889696 /nfs/dbraw/zinc/88/96/96/719889696.db2.gz IMCFKLNFDMMKFY-UHFFFAOYSA-N 1 1 443.356 4.230 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164860460 721004940 /nfs/dbraw/zinc/00/49/40/721004940.db2.gz OJKNWKLYBQVWLQ-AWEZNQCLSA-N 1 1 428.924 4.414 20 5 IIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164772578 721288011 /nfs/dbraw/zinc/28/80/11/721288011.db2.gz JGRYINQJORBONK-UHFFFAOYSA-N 1 1 432.883 4.497 20 5 IIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)ccc1F ZINC001164964636 722023683 /nfs/dbraw/zinc/02/36/83/722023683.db2.gz XDPKLEQDKWIFMU-UHFFFAOYSA-N 1 1 448.502 4.078 20 5 IIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164648752 719310567 /nfs/dbraw/zinc/31/05/67/719310567.db2.gz LCBJVQJBTJFCGL-UHFFFAOYSA-N 1 1 428.924 4.198 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842029 720681504 /nfs/dbraw/zinc/68/15/04/720681504.db2.gz LCYNAPASSNVBGD-GOSISDBHSA-N 1 1 430.936 4.212 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164911468 721753361 /nfs/dbraw/zinc/75/33/61/721753361.db2.gz WCEWAMSXHNGJID-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164911468 721753364 /nfs/dbraw/zinc/75/33/64/721753364.db2.gz WCEWAMSXHNGJID-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940580 721924250 /nfs/dbraw/zinc/92/42/50/721924250.db2.gz UFXBNGWJBJJHKG-UHFFFAOYSA-N 1 1 430.936 4.131 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164711804 720156049 /nfs/dbraw/zinc/15/60/49/720156049.db2.gz CCFJGYJANJLLSD-QFIPXVFZSA-N 1 1 447.539 4.046 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842032 720680362 /nfs/dbraw/zinc/68/03/62/720680362.db2.gz LCYNAPASSNVBGD-SFHVURJKSA-N 1 1 430.936 4.212 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164842744 720686206 /nfs/dbraw/zinc/68/62/06/720686206.db2.gz NAGFKBHFFFEEJA-HXUWFJFHSA-N 1 1 432.524 4.403 20 5 IIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164804541 721539684 /nfs/dbraw/zinc/53/96/84/721539684.db2.gz KEZLPEIHUHCXKO-XLGIIRLISA-N 1 1 425.536 4.046 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)c(C)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938985 721924562 /nfs/dbraw/zinc/92/45/62/721924562.db2.gz FZBCNJITVLTREM-UHFFFAOYSA-N 1 1 430.936 4.131 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)CC3)C2)cc1 ZINC001164939868 721925122 /nfs/dbraw/zinc/92/51/22/721925122.db2.gz OQVATEMIPKNHOJ-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cnc1Cl ZINC001164954407 722012771 /nfs/dbraw/zinc/01/27/71/722012771.db2.gz MGWNOCIWPLDUBB-UHFFFAOYSA-N 1 1 437.878 4.076 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164719090 720115487 /nfs/dbraw/zinc/11/54/87/720115487.db2.gz VUBIBOYFOWODGM-NRFANRHFSA-N 1 1 447.539 4.046 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164710829 720136910 /nfs/dbraw/zinc/13/69/10/720136910.db2.gz DJQGTYQMSUHQTL-QFIPXVFZSA-N 1 1 447.539 4.046 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164842742 720685076 /nfs/dbraw/zinc/68/50/76/720685076.db2.gz NAGFKBHFFFEEJA-FQEVSTJZSA-N 1 1 432.524 4.403 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164860465 721005929 /nfs/dbraw/zinc/00/59/29/721005929.db2.gz OJKNWKLYBQVWLQ-CQSZACIVSA-N 1 1 428.924 4.414 20 5 IIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)cc1 ZINC001164774420 721303214 /nfs/dbraw/zinc/30/32/14/721303214.db2.gz BOCLEYUXWFEUHR-UHFFFAOYSA-N 1 1 449.889 4.172 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165024091 721810349 /nfs/dbraw/zinc/81/03/49/721810349.db2.gz IPSBTRXRVYRVDZ-JLJPHGGASA-N 1 1 436.343 4.429 20 5 IIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)ccc1F ZINC001164623499 719107011 /nfs/dbraw/zinc/10/70/11/719107011.db2.gz DHUJPTQAHZSKCO-WMZHIEFXSA-N 1 1 433.487 4.292 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@@H]2C ZINC001164858016 720972183 /nfs/dbraw/zinc/97/21/83/720972183.db2.gz GGPVBQKWVCYCOU-CQSZACIVSA-N 1 1 428.924 4.414 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164716957 720113977 /nfs/dbraw/zinc/11/39/77/720113977.db2.gz MIQKEYSWJLGRBC-HXUWFJFHSA-N 1 1 447.539 4.046 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164710828 720136106 /nfs/dbraw/zinc/13/61/06/720136106.db2.gz DJQGTYQMSUHQTL-JOCHJYFZSA-N 1 1 447.539 4.046 20 5 IIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4ccc5cccnc5c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839072 720521741 /nfs/dbraw/zinc/52/17/41/720521741.db2.gz SLXCIOJWXSZMTG-RJGXRXQPSA-N 1 1 426.568 4.357 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164844937 720682006 /nfs/dbraw/zinc/68/20/06/720682006.db2.gz WRUOOZSBMGFDEC-JOCHJYFZSA-N 1 1 432.524 4.403 20 5 IIBDMO O=[N+]([O-])c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164908381 721701414 /nfs/dbraw/zinc/70/14/14/721701414.db2.gz YTQRWSFQRLXJSI-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164718554 720115567 /nfs/dbraw/zinc/11/55/67/720115567.db2.gz SERBEPCTMQKWCZ-FQEVSTJZSA-N 1 1 447.539 4.046 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164843660 720687077 /nfs/dbraw/zinc/68/70/77/720687077.db2.gz PZIRFCVZPHSJMZ-NRFANRHFSA-N 1 1 432.524 4.403 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164861608 720953688 /nfs/dbraw/zinc/95/36/88/720953688.db2.gz TVCRMTDSLYQKIM-AWEZNQCLSA-N 1 1 428.924 4.414 20 5 IIBDMO c1cnc2c(c1)ccc1ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc12 ZINC001164961940 722053863 /nfs/dbraw/zinc/05/38/63/722053863.db2.gz ZLUUKOPWSMHYOO-UHFFFAOYSA-N 1 1 439.563 4.297 20 5 IIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793974 721491285 /nfs/dbraw/zinc/49/12/85/721491285.db2.gz ZNZKHDPWUTWWDJ-UHFFFAOYSA-N 1 1 448.980 4.036 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027495 721806682 /nfs/dbraw/zinc/80/66/82/721806682.db2.gz VYWQGKRETUIRML-JLJPHGGASA-N 1 1 436.343 4.429 20 5 IIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953589 722015347 /nfs/dbraw/zinc/01/53/47/722015347.db2.gz VMPWVRPSIDBLKL-UHFFFAOYSA-N 1 1 438.919 4.079 20 5 IIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)ccc1F ZINC001164623504 719107236 /nfs/dbraw/zinc/10/72/36/719107236.db2.gz DHUJPTQAHZSKCO-XXBNENTESA-N 1 1 433.487 4.292 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164711679 720128940 /nfs/dbraw/zinc/12/89/40/720128940.db2.gz HVLUQVBWFXNCSC-OAQYLSRUSA-N 1 1 447.539 4.046 20 5 IIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841652 720640570 /nfs/dbraw/zinc/64/05/70/720640570.db2.gz UAVUJJFELWFDRU-FDFHNCONSA-N 1 1 446.555 4.231 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164844938 720680471 /nfs/dbraw/zinc/68/04/71/720680471.db2.gz WRUOOZSBMGFDEC-QFIPXVFZSA-N 1 1 432.524 4.403 20 5 IIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164796692 721500141 /nfs/dbraw/zinc/50/01/41/721500141.db2.gz VJRFMYRSTJWQBU-UHFFFAOYSA-N 1 1 444.539 4.328 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164909433 721750533 /nfs/dbraw/zinc/75/05/33/721750533.db2.gz SYNVUUDMZSFKAD-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164909433 721750538 /nfs/dbraw/zinc/75/05/38/721750538.db2.gz SYNVUUDMZSFKAD-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164939369 721925804 /nfs/dbraw/zinc/92/58/04/721925804.db2.gz KLTFKURBOBUIPQ-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164952230 722014826 /nfs/dbraw/zinc/01/48/26/722014826.db2.gz KAHRBRDVKIZBIA-UHFFFAOYSA-N 1 1 437.878 4.076 20 5 IIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995611 722209894 /nfs/dbraw/zinc/20/98/94/722209894.db2.gz OORPVHNQHANXCR-DEOSSOPVSA-N 1 1 433.487 4.436 20 5 IIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164654155 719317541 /nfs/dbraw/zinc/31/75/41/719317541.db2.gz PETJQQISSWEUGY-UHFFFAOYSA-N 1 1 428.924 4.198 20 5 IIBDMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2ccc([N+](=O)[O-])cc12 ZINC001164695734 719888799 /nfs/dbraw/zinc/88/87/99/719888799.db2.gz UDCFWXMOYISBME-UHFFFAOYSA-N 1 1 438.553 4.384 20 5 IIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696113 719891556 /nfs/dbraw/zinc/89/15/56/719891556.db2.gz XQCMAZUNIYDTHS-UHFFFAOYSA-N 1 1 443.356 4.230 20 5 IIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696113 719891559 /nfs/dbraw/zinc/89/15/59/719891559.db2.gz XQCMAZUNIYDTHS-UHFFFAOYSA-N 1 1 443.356 4.230 20 5 IIBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834868 720522374 /nfs/dbraw/zinc/52/23/74/720522374.db2.gz HSLWYORJSSAWNX-JXHRLWIKSA-N 1 1 434.544 4.026 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@H]2C ZINC001164861011 721020860 /nfs/dbraw/zinc/02/08/60/721020860.db2.gz MQOPFZUIJNFZPX-AWEZNQCLSA-N 1 1 428.924 4.414 20 5 IIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@H]3C2)cn1 ZINC001164774091 721139481 /nfs/dbraw/zinc/13/94/81/721139481.db2.gz ZUPXZZDSLYIVMJ-VQTJNVASSA-N 1 1 432.959 4.128 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165027497 721806408 /nfs/dbraw/zinc/80/64/08/721806408.db2.gz VYWQGKRETUIRML-UKPHBRMFSA-N 1 1 436.343 4.429 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165024098 721810396 /nfs/dbraw/zinc/81/03/96/721810396.db2.gz IPSBTRXRVYRVDZ-YSVLISHTSA-N 1 1 436.343 4.429 20 5 IIBDMO CSc1nc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994448 722201962 /nfs/dbraw/zinc/20/19/62/722201962.db2.gz HEEBURGJOIMNED-LJQANCHMSA-N 1 1 437.928 4.144 20 5 IIBDMO CSc1nc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994448 722201965 /nfs/dbraw/zinc/20/19/65/722201965.db2.gz HEEBURGJOIMNED-LJQANCHMSA-N 1 1 437.928 4.144 20 5 IIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC001164841655 720640487 /nfs/dbraw/zinc/64/04/87/720640487.db2.gz UAVUJJFELWFDRU-FKBYEOEOSA-N 1 1 446.555 4.231 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164841050 720701823 /nfs/dbraw/zinc/70/18/23/720701823.db2.gz HHOBYHCZNORGQX-NRFANRHFSA-N 1 1 432.524 4.403 20 5 IIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164912584 721737666 /nfs/dbraw/zinc/73/76/66/721737666.db2.gz NZPWZCHTYRZTTO-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165024088 721810361 /nfs/dbraw/zinc/81/03/61/721810361.db2.gz IPSBTRXRVYRVDZ-FRFSOERESA-N 1 1 436.343 4.429 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21 ZINC001165027002 721823085 /nfs/dbraw/zinc/82/30/85/721823085.db2.gz QQRFWAREXCRODX-ZFJSRUIDSA-N 1 1 444.539 4.184 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628867 719098709 /nfs/dbraw/zinc/09/87/09/719098709.db2.gz PGJWNBYCUPVVGY-UONOGXRCSA-N 1 1 441.841 4.158 20 5 IIBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834870 720521838 /nfs/dbraw/zinc/52/18/38/720521838.db2.gz HSLWYORJSSAWNX-QMHWCDLVSA-N 1 1 434.544 4.026 20 5 IIBDMO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164840569 720682052 /nfs/dbraw/zinc/68/20/52/720682052.db2.gz GSTMGITZBYLFCP-SFHVURJKSA-N 1 1 430.936 4.212 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164861625 720954380 /nfs/dbraw/zinc/95/43/80/720954380.db2.gz TVCRMTDSLYQKIM-CQSZACIVSA-N 1 1 428.924 4.414 20 5 IIBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nc3c2n1 ZINC001164865740 721094471 /nfs/dbraw/zinc/09/44/71/721094471.db2.gz OWVKQHNBRNRENK-RTWAWAEBSA-N 1 1 445.954 4.311 20 5 IIBDMO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908517 721697913 /nfs/dbraw/zinc/69/79/13/721697913.db2.gz ZUQKUOBWLSKIQE-IBGZPJMESA-N 1 1 437.878 4.084 20 5 IIBDMO Cc1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910016 721750807 /nfs/dbraw/zinc/75/08/07/721750807.db2.gz YDCOUXREDIVTPG-UHFFFAOYSA-N 1 1 427.892 4.134 20 5 IIBDMO Cc1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910016 721750811 /nfs/dbraw/zinc/75/08/11/721750811.db2.gz YDCOUXREDIVTPG-UHFFFAOYSA-N 1 1 427.892 4.134 20 5 IIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992880 722193776 /nfs/dbraw/zinc/19/37/76/722193776.db2.gz BTXIAMAPBZGZAV-LJQANCHMSA-N 1 1 437.928 4.144 20 5 IIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992880 722193778 /nfs/dbraw/zinc/19/37/78/722193778.db2.gz BTXIAMAPBZGZAV-LJQANCHMSA-N 1 1 437.928 4.144 20 5 IIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 ZINC000609707714 1126100623 /nfs/dbraw/zinc/10/06/23/1126100623.db2.gz UUQOCVQJGGFWMN-ROUUACIJSA-N 1 1 437.443 4.342 20 5 IIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001164839073 720522335 /nfs/dbraw/zinc/52/23/35/720522335.db2.gz SLXCIOJWXSZMTG-VABKMULXSA-N 1 1 426.568 4.357 20 5 IIBDMO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164840568 720680788 /nfs/dbraw/zinc/68/07/88/720680788.db2.gz GSTMGITZBYLFCP-GOSISDBHSA-N 1 1 430.936 4.212 20 5 IIBDMO CCc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164863125 721010683 /nfs/dbraw/zinc/01/06/83/721010683.db2.gz TYVIUSMUSUAVBR-QGZVFWFLSA-N 1 1 449.559 4.232 20 5 IIBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nc3c2n1 ZINC001164865739 721094010 /nfs/dbraw/zinc/09/40/10/721094010.db2.gz OWVKQHNBRNRENK-NHCUHLMSSA-N 1 1 445.954 4.311 20 5 IIBDMO CC(C)Oc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164795709 721501855 /nfs/dbraw/zinc/50/18/55/721501855.db2.gz JVQWQGHVZQFQDJ-UHFFFAOYSA-N 1 1 425.533 4.053 20 5 IIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906626 721701786 /nfs/dbraw/zinc/70/17/86/721701786.db2.gz NQNXBZMMJDKTKN-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908446 721751544 /nfs/dbraw/zinc/75/15/44/721751544.db2.gz JDPKXFARRFZEMH-UHFFFAOYSA-N 1 1 427.892 4.134 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908446 721751551 /nfs/dbraw/zinc/75/15/51/721751551.db2.gz JDPKXFARRFZEMH-UHFFFAOYSA-N 1 1 427.892 4.134 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)CC3)C2)cc1 ZINC001164945790 721933043 /nfs/dbraw/zinc/93/30/43/721933043.db2.gz WZBKPODUBFGAKQ-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952483 722015429 /nfs/dbraw/zinc/01/54/29/722015429.db2.gz LPYSYOBWNUUTQP-UHFFFAOYSA-N 1 1 438.919 4.079 20 5 IIBDMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164955220 722022941 /nfs/dbraw/zinc/02/29/41/722022941.db2.gz AJMYMQGYVFBFGU-UHFFFAOYSA-N 1 1 444.539 4.248 20 5 IIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 ZINC000609707712 1126100561 /nfs/dbraw/zinc/10/05/61/1126100561.db2.gz UUQOCVQJGGFWMN-MSOLQXFVSA-N 1 1 437.443 4.342 20 5 IIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 ZINC000609707715 1126100635 /nfs/dbraw/zinc/10/06/35/1126100635.db2.gz UUQOCVQJGGFWMN-ZWKOTPCHSA-N 1 1 437.443 4.342 20 5 IIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164692798 719806343 /nfs/dbraw/zinc/80/63/43/719806343.db2.gz MWRSFGVTAIKTLN-UHFFFAOYSA-N 1 1 443.360 4.092 20 5 IIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC001164841658 720640588 /nfs/dbraw/zinc/64/05/88/720640588.db2.gz UAVUJJFELWFDRU-FSSWDIPSSA-N 1 1 446.555 4.231 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842345 720709083 /nfs/dbraw/zinc/70/90/83/720709083.db2.gz YRIOQPCJBLFYSS-QFIPXVFZSA-N 1 1 432.524 4.403 20 5 IIBDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904808 721696405 /nfs/dbraw/zinc/69/64/05/721696405.db2.gz GOWQRDKAUITDKL-LJQANCHMSA-N 1 1 437.878 4.084 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165024094 721810319 /nfs/dbraw/zinc/81/03/19/721810319.db2.gz IPSBTRXRVYRVDZ-UKPHBRMFSA-N 1 1 436.343 4.429 20 5 IIBDMO CSc1nc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994447 722201745 /nfs/dbraw/zinc/20/17/45/722201745.db2.gz HEEBURGJOIMNED-IBGZPJMESA-N 1 1 437.928 4.144 20 5 IIBDMO CSc1nc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994447 722201749 /nfs/dbraw/zinc/20/17/49/722201749.db2.gz HEEBURGJOIMNED-IBGZPJMESA-N 1 1 437.928 4.144 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164711676 720128510 /nfs/dbraw/zinc/12/85/10/720128510.db2.gz HVLUQVBWFXNCSC-NRFANRHFSA-N 1 1 447.539 4.046 20 5 IIBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164834867 720522069 /nfs/dbraw/zinc/52/20/69/720522069.db2.gz HSLWYORJSSAWNX-GREBRCKQSA-N 1 1 434.544 4.026 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@H]2C ZINC001164862422 721021170 /nfs/dbraw/zinc/02/11/70/721021170.db2.gz QGXQBZBAJAUMDG-INIZCTEOSA-N 1 1 438.507 4.414 20 5 IIBDMO Cc1ccc(-c2nc3sccc3c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cc1[N+](=O)[O-] ZINC001164770218 721298820 /nfs/dbraw/zinc/29/88/20/721298820.db2.gz QGKNGIAVPCYFSW-UHFFFAOYSA-N 1 1 435.553 4.497 20 5 IIBDMO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164908518 721698258 /nfs/dbraw/zinc/69/82/58/721698258.db2.gz ZUQKUOBWLSKIQE-LJQANCHMSA-N 1 1 437.878 4.084 20 5 IIBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164907019 721699950 /nfs/dbraw/zinc/69/99/50/721699950.db2.gz QGXOECYUXTZRBX-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO O=[N+]([O-])c1cccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164908379 721701597 /nfs/dbraw/zinc/70/15/97/721701597.db2.gz YTQRWSFQRLXJSI-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164677003 719532701 /nfs/dbraw/zinc/53/27/01/719532701.db2.gz ACYGIPCKWLZJAG-UHFFFAOYSA-N 1 1 436.487 4.154 20 5 IIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164677003 719532711 /nfs/dbraw/zinc/53/27/11/719532711.db2.gz ACYGIPCKWLZJAG-UHFFFAOYSA-N 1 1 436.487 4.154 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164841052 720700459 /nfs/dbraw/zinc/70/04/59/720700459.db2.gz HHOBYHCZNORGQX-OAQYLSRUSA-N 1 1 432.524 4.403 20 5 IIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)c1 ZINC001164775490 721303437 /nfs/dbraw/zinc/30/34/37/721303437.db2.gz XTFIERBBDMVQMD-UHFFFAOYSA-N 1 1 449.889 4.172 20 5 IIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@H]2CCCO[C@@H]12 ZINC001164804540 721540117 /nfs/dbraw/zinc/54/01/17/721540117.db2.gz KEZLPEIHUHCXKO-VVZHRXSXSA-N 1 1 425.536 4.046 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164911385 721753581 /nfs/dbraw/zinc/75/35/81/721753581.db2.gz VDXFGFKAJJFJBX-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164911385 721753590 /nfs/dbraw/zinc/75/35/90/721753590.db2.gz VDXFGFKAJJFJBX-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164911722 721760014 /nfs/dbraw/zinc/76/00/14/721760014.db2.gz XUJVWCCZQDQZSY-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164911722 721760016 /nfs/dbraw/zinc/76/00/16/721760016.db2.gz XUJVWCCZQDQZSY-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1 ZINC001164939430 721929721 /nfs/dbraw/zinc/92/97/21/721929721.db2.gz LBSPVQHPMPLZKR-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@@H]3C2)cn1 ZINC001164774087 721140053 /nfs/dbraw/zinc/14/00/53/721140053.db2.gz ZUPXZZDSLYIVMJ-UXHICEINSA-N 1 1 432.959 4.128 20 5 IIBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164907022 721700334 /nfs/dbraw/zinc/70/03/34/721700334.db2.gz QGXOECYUXTZRBX-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21 ZINC001165027000 721823037 /nfs/dbraw/zinc/82/30/37/721823037.db2.gz QQRFWAREXCRODX-NGYIFUPDSA-N 1 1 444.539 4.184 20 5 IIBDMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC3)cs1 ZINC001164692716 719814359 /nfs/dbraw/zinc/81/43/59/719814359.db2.gz RJNZYHYLDKXUEZ-UHFFFAOYSA-N 1 1 431.562 4.177 20 5 IIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]21 ZINC001164839074 720522126 /nfs/dbraw/zinc/52/21/26/720522126.db2.gz SLXCIOJWXSZMTG-VJBWXMMDSA-N 1 1 426.568 4.357 20 5 IIBDMO Cc1cc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164845238 720679878 /nfs/dbraw/zinc/67/98/78/720679878.db2.gz XCFMZWOEESOCKZ-SFHVURJKSA-N 1 1 430.936 4.212 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164841893 720687657 /nfs/dbraw/zinc/68/76/57/720687657.db2.gz JZUAWQGKJPKOAH-HXUWFJFHSA-N 1 1 432.524 4.403 20 5 IIBDMO CCc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164863122 721010871 /nfs/dbraw/zinc/01/08/71/721010871.db2.gz TYVIUSMUSUAVBR-KRWDZBQOSA-N 1 1 449.559 4.232 20 5 IIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@H]2CCCO[C@H]12 ZINC001164804538 721539915 /nfs/dbraw/zinc/53/99/15/721539915.db2.gz KEZLPEIHUHCXKO-VRUMLPLGSA-N 1 1 425.536 4.046 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164910010 721749306 /nfs/dbraw/zinc/74/93/06/721749306.db2.gz XSQZVNMONUGJGP-UHFFFAOYSA-N 1 1 448.310 4.479 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164910010 721749307 /nfs/dbraw/zinc/74/93/07/721749307.db2.gz XSQZVNMONUGJGP-UHFFFAOYSA-N 1 1 448.310 4.479 20 5 IIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992879 722193496 /nfs/dbraw/zinc/19/34/96/722193496.db2.gz BTXIAMAPBZGZAV-IBGZPJMESA-N 1 1 437.928 4.144 20 5 IIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164992879 722193498 /nfs/dbraw/zinc/19/34/98/722193498.db2.gz BTXIAMAPBZGZAV-IBGZPJMESA-N 1 1 437.928 4.144 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993677 722196323 /nfs/dbraw/zinc/19/63/23/722196323.db2.gz HIOCJUFJBYRQLQ-GOSISDBHSA-N 1 1 426.279 4.076 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993677 722196325 /nfs/dbraw/zinc/19/63/25/722196325.db2.gz HIOCJUFJBYRQLQ-GOSISDBHSA-N 1 1 426.279 4.076 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164717495 720111276 /nfs/dbraw/zinc/11/12/76/720111276.db2.gz PONBVFTZUHMXIQ-QFIPXVFZSA-N 1 1 447.539 4.046 20 5 IIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4ccc5cccnc5c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839075 720521938 /nfs/dbraw/zinc/52/19/38/720521938.db2.gz SLXCIOJWXSZMTG-XPWALMASSA-N 1 1 426.568 4.357 20 5 IIBDMO O=[N+]([O-])c1ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907952 721698043 /nfs/dbraw/zinc/69/80/43/721698043.db2.gz XEAWNBOYKDAVCE-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164908942 721752510 /nfs/dbraw/zinc/75/25/10/721752510.db2.gz OXFRSKSBKSQUNI-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164908942 721752514 /nfs/dbraw/zinc/75/25/14/721752514.db2.gz OXFRSKSBKSQUNI-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21 ZINC001165030174 721826782 /nfs/dbraw/zinc/82/67/82/721826782.db2.gz YEEGDWATHZESRL-RZFNWQHOSA-N 1 1 444.539 4.184 20 5 IIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953585 722015747 /nfs/dbraw/zinc/01/57/47/722015747.db2.gz VHJQYZBZZXMYOI-UHFFFAOYSA-N 1 1 437.878 4.076 20 5 IIBDMO Cc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630526 719090032 /nfs/dbraw/zinc/09/00/32/719090032.db2.gz WUTUZSCODSRDSD-QPPBQGQZSA-N 1 1 429.524 4.461 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628866 719098413 /nfs/dbraw/zinc/09/84/13/719098413.db2.gz PGJWNBYCUPVVGY-KGLIPLIRSA-N 1 1 441.841 4.158 20 5 IIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164716956 720114335 /nfs/dbraw/zinc/11/43/35/720114335.db2.gz MIQKEYSWJLGRBC-FQEVSTJZSA-N 1 1 447.539 4.046 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628865 719098222 /nfs/dbraw/zinc/09/82/22/719098222.db2.gz PGJWNBYCUPVVGY-KBPBESRZSA-N 1 1 441.841 4.158 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164719091 720114869 /nfs/dbraw/zinc/11/48/69/720114869.db2.gz VUBIBOYFOWODGM-OAQYLSRUSA-N 1 1 447.539 4.046 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842344 720708219 /nfs/dbraw/zinc/70/82/19/720708219.db2.gz YRIOQPCJBLFYSS-JOCHJYFZSA-N 1 1 432.524 4.403 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@@H]2C ZINC001164862426 721020639 /nfs/dbraw/zinc/02/06/39/721020639.db2.gz QGXQBZBAJAUMDG-MRXNPFEDSA-N 1 1 438.507 4.414 20 5 IIBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nc3c2n1 ZINC001164865741 721095012 /nfs/dbraw/zinc/09/50/12/721095012.db2.gz OWVKQHNBRNRENK-SFTDATJTSA-N 1 1 445.954 4.311 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905615 721698116 /nfs/dbraw/zinc/69/81/16/721698116.db2.gz KEUVTWCJCKYRIU-LJQANCHMSA-N 1 1 437.878 4.084 20 5 IIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164912583 721737446 /nfs/dbraw/zinc/73/74/46/721737446.db2.gz NZPWZCHTYRZTTO-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001165027493 721806524 /nfs/dbraw/zinc/80/65/24/721806524.db2.gz VYWQGKRETUIRML-FRFSOERESA-N 1 1 436.343 4.429 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)CC3)C2)cc1 ZINC001164938899 721924340 /nfs/dbraw/zinc/92/43/40/721924340.db2.gz AGWQZIBMAIAYBA-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO Cc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164630532 719090223 /nfs/dbraw/zinc/09/02/23/719090223.db2.gz WUTUZSCODSRDSD-XUZZJYLKSA-N 1 1 429.524 4.461 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164717494 720110745 /nfs/dbraw/zinc/11/07/45/720110745.db2.gz PONBVFTZUHMXIQ-JOCHJYFZSA-N 1 1 447.539 4.046 20 5 IIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841650 720640892 /nfs/dbraw/zinc/64/08/92/720640892.db2.gz UAVUJJFELWFDRU-BHIFYINESA-N 1 1 446.555 4.231 20 5 IIBDMO Cc1cc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164845237 720678467 /nfs/dbraw/zinc/67/84/67/720678467.db2.gz XCFMZWOEESOCKZ-GOSISDBHSA-N 1 1 430.936 4.212 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164840339 720727871 /nfs/dbraw/zinc/72/78/71/720727871.db2.gz PMXKJIKTSCCLGH-QFIPXVFZSA-N 1 1 432.524 4.403 20 5 IIBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nc3c2n1 ZINC001164865738 721094722 /nfs/dbraw/zinc/09/47/22/721094722.db2.gz OWVKQHNBRNRENK-LEWJYISDSA-N 1 1 445.954 4.311 20 5 IIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995613 722209927 /nfs/dbraw/zinc/20/99/27/722209927.db2.gz OORPVHNQHANXCR-XMMPIXPASA-N 1 1 433.487 4.436 20 5 IIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)ccc1F ZINC001164623490 719107249 /nfs/dbraw/zinc/10/72/49/719107249.db2.gz DHUJPTQAHZSKCO-AUSIDOKSSA-N 1 1 433.487 4.292 20 5 IIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H]2CCCO[C@H]12 ZINC001164804537 721540127 /nfs/dbraw/zinc/54/01/27/721540127.db2.gz KEZLPEIHUHCXKO-DRLORSAXSA-N 1 1 425.536 4.046 20 5 IIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905613 721698597 /nfs/dbraw/zinc/69/85/97/721698597.db2.gz KEUVTWCJCKYRIU-IBGZPJMESA-N 1 1 437.878 4.084 20 5 IIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907362 721719936 /nfs/dbraw/zinc/71/99/36/721719936.db2.gz RCSDJSHUCMYPHL-QFIPXVFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164909590 721753239 /nfs/dbraw/zinc/75/32/39/721753239.db2.gz JESGGSDIPTZSMB-UHFFFAOYSA-N 1 1 448.310 4.479 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164909590 721753242 /nfs/dbraw/zinc/75/32/42/721753242.db2.gz JESGGSDIPTZSMB-UHFFFAOYSA-N 1 1 448.310 4.479 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21 ZINC001165027001 721823232 /nfs/dbraw/zinc/82/32/32/721823232.db2.gz QQRFWAREXCRODX-WNOPAQSVSA-N 1 1 444.539 4.184 20 5 IIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164843661 720687691 /nfs/dbraw/zinc/68/76/91/720687691.db2.gz PZIRFCVZPHSJMZ-OAQYLSRUSA-N 1 1 432.524 4.403 20 5 IIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@H]2C ZINC001164858014 720972330 /nfs/dbraw/zinc/97/23/30/720972330.db2.gz GGPVBQKWVCYCOU-AWEZNQCLSA-N 1 1 428.924 4.414 20 5 IIBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907355 721720828 /nfs/dbraw/zinc/72/08/28/721720828.db2.gz RCSDJSHUCMYPHL-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21 ZINC001165026999 721822978 /nfs/dbraw/zinc/82/29/78/721822978.db2.gz QQRFWAREXCRODX-BPUDTRNYSA-N 1 1 444.539 4.184 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21 ZINC001165030171 721826856 /nfs/dbraw/zinc/82/68/56/721826856.db2.gz YEEGDWATHZESRL-AVCGJXAMSA-N 1 1 444.539 4.184 20 5 IIBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 ZINC000609707713 1126100591 /nfs/dbraw/zinc/10/05/91/1126100591.db2.gz UUQOCVQJGGFWMN-QZTJIDSGSA-N 1 1 437.443 4.342 20 5 IIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628868 719098053 /nfs/dbraw/zinc/09/80/53/719098053.db2.gz PGJWNBYCUPVVGY-ZIAGYGMSSA-N 1 1 441.841 4.158 20 5 IIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164718555 720115127 /nfs/dbraw/zinc/11/51/27/720115127.db2.gz SERBEPCTMQKWCZ-HXUWFJFHSA-N 1 1 447.539 4.046 20 5 IIBDMO O=[N+]([O-])c1cccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906617 721701990 /nfs/dbraw/zinc/70/19/90/721701990.db2.gz NQNXBZMMJDKTKN-JOCHJYFZSA-N 1 1 439.466 4.276 20 5 IIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164909530 721765343 /nfs/dbraw/zinc/76/53/43/721765343.db2.gz BTEMTTTZODIJHT-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164909530 721765345 /nfs/dbraw/zinc/76/53/45/721765345.db2.gz BTEMTTTZODIJHT-UHFFFAOYSA-N 1 1 429.480 4.326 20 5 IIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164962669 722025142 /nfs/dbraw/zinc/02/51/42/722025142.db2.gz QSKOEMJHZWANAA-UHFFFAOYSA-N 1 1 438.919 4.079 20 5 IIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164650250 719315734 /nfs/dbraw/zinc/31/57/34/719315734.db2.gz AWNSZVDHDOGHBU-UHFFFAOYSA-N 1 1 428.924 4.198 20 5 IIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc6ccc(Cl)nc6c5n4)C[C@H]3C2)cn1 ZINC001164774096 721139804 /nfs/dbraw/zinc/13/98/04/721139804.db2.gz ZUPXZZDSLYIVMJ-WOJBJXKFSA-N 1 1 432.959 4.128 20 5 IIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21 ZINC001165030172 721826907 /nfs/dbraw/zinc/82/69/07/721826907.db2.gz YEEGDWATHZESRL-JMUQELJHSA-N 1 1 444.539 4.184 20 5 IIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5ccccc5cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938663 721928870 /nfs/dbraw/zinc/92/88/70/721928870.db2.gz DEERCCUJFWSAQJ-UHFFFAOYSA-N 1 1 432.524 4.323 20 5 IIBDMO