smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250293 568983720 /nfs/dbraw/zinc/98/37/20/568983720.db2.gz FFBHTSOBLBZCSQ-PGRDOPGGSA-N 1 1 442.560 3.312 50 5 IGBAMO Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1[N+](=O)[O-] ZINC000010186652 132243307 /nfs/dbraw/zinc/24/33/07/132243307.db2.gz MECWXJBYKPQCKC-UHFFFAOYSA-N 1 1 432.484 3.364 50 5 IGBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870348 521747084 /nfs/dbraw/zinc/74/70/84/521747084.db2.gz CYZCUKPDXQOGII-PZJWPPBQSA-N 1 1 428.920 3.247 50 5 IGBAMO O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870400 527596207 /nfs/dbraw/zinc/59/62/07/527596207.db2.gz VBUWGWGBBOUXFX-GMAHTHKFSA-N 1 1 438.503 3.123 50 5 IGBAMO COc1ccc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])c(C)c3)CC2)c(OC)c1OC ZINC000016293846 568875554 /nfs/dbraw/zinc/87/55/54/568875554.db2.gz HWDQAXVPFBISBI-UHFFFAOYSA-N 1 1 445.516 3.126 50 5 IGBAMO Cc1c(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cccc1[N+](=O)[O-] ZINC000010186656 569578449 /nfs/dbraw/zinc/57/84/49/569578449.db2.gz OBRKFDCQXRGALO-UHFFFAOYSA-N 1 1 432.484 3.364 50 5 IGBAMO Cc1cc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)ccc1[N+](=O)[O-] ZINC000010186606 132243141 /nfs/dbraw/zinc/24/31/41/132243141.db2.gz HBHCBEFEKUMREA-UHFFFAOYSA-N 1 1 432.484 3.364 50 5 IGBAMO O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020646284 526816626 /nfs/dbraw/zinc/81/66/26/526816626.db2.gz PIYOFNICGHTMNQ-UHFFFAOYSA-N 1 1 432.911 3.459 50 5 IGBAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000032882731 556509316 /nfs/dbraw/zinc/50/93/16/556509316.db2.gz JXQFKOZOVHXGHH-ZIAGYGMSSA-N 1 1 446.470 3.420 50 5 IGBAMO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000102783267 557387637 /nfs/dbraw/zinc/38/76/37/557387637.db2.gz LPVNYCMLEMZXQI-OYRHEFFESA-N 1 1 446.507 3.373 50 5 IGBAMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000019808184 569329813 /nfs/dbraw/zinc/32/98/13/569329813.db2.gz VDJDONHIKKHKRG-UHFFFAOYSA-N 1 1 442.903 3.301 50 5 IGBAMO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)nc2c3ccccc3oc(=O)c12 ZINC000100707604 556655654 /nfs/dbraw/zinc/65/56/54/556655654.db2.gz ITALBTXXQKRHDH-UHFFFAOYSA-N 1 1 442.519 3.406 50 5 IGBAMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 ZINC000031653193 568741326 /nfs/dbraw/zinc/74/13/26/568741326.db2.gz YWBLAOLXSMQAIG-UHFFFAOYSA-N 1 1 447.421 3.437 50 5 IGBAMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 ZINC000031653193 568741327 /nfs/dbraw/zinc/74/13/27/568741327.db2.gz YWBLAOLXSMQAIG-UHFFFAOYSA-N 1 1 447.421 3.437 50 5 IGBAMO COc1cc(C[C@H]2c3c(cc(OC)c(OC)c3OC)CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000003124410 569440577 /nfs/dbraw/zinc/44/05/77/569440577.db2.gz VBDZJGUUGCSLPF-INIZCTEOSA-N 1 1 432.473 3.410 50 5 IGBAMO COc1ccc(-c2noc(-c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586950 132282509 /nfs/dbraw/zinc/28/25/09/132282509.db2.gz GZNYDLTXCGEIMQ-UHFFFAOYSA-N 1 1 425.445 3.081 50 5 IGBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894791 519741175 /nfs/dbraw/zinc/74/11/75/519741175.db2.gz SEEUMRGRRWWOQR-JTHBVZDNSA-N 1 1 440.519 3.369 50 5 IGBAMO O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1 ZINC000035894818 526569152 /nfs/dbraw/zinc/56/91/52/526569152.db2.gz HFTBBFHGKZJSBI-GMAHTHKFSA-N 1 1 438.503 3.219 50 5 IGBAMO O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681839 568992535 /nfs/dbraw/zinc/99/25/35/568992535.db2.gz VBUWGWGBBOUXFX-GGAORHGYSA-N 1 1 438.503 3.123 50 5 IGBAMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000058138851 569448464 /nfs/dbraw/zinc/44/84/64/569448464.db2.gz AHSQQTBQLUNCPG-UHFFFAOYSA-N 1 1 442.541 3.233 50 5 IGBAMO O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCCC1 ZINC000247372174 557053617 /nfs/dbraw/zinc/05/36/17/557053617.db2.gz HFTBBFHGKZJSBI-JTHBVZDNSA-N 1 1 438.503 3.219 50 5 IGBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000104916144 557464675 /nfs/dbraw/zinc/46/46/75/557464675.db2.gz OMJJVXJCYLSUJZ-IRLDBZIGSA-N 1 1 440.931 3.390 50 5 IGBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677742 568989766 /nfs/dbraw/zinc/98/97/66/568989766.db2.gz CYZCUKPDXQOGII-CTNGQTDRSA-N 1 1 428.920 3.247 50 5 IGBAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000095407814 569364812 /nfs/dbraw/zinc/36/48/12/569364812.db2.gz DWJJRWOIQJNEAB-GOSISDBHSA-N 1 1 447.561 3.333 50 5 IGBAMO Cc1ccc(C[N@@H+]2CCCN(c3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 ZINC000009834399 569570585 /nfs/dbraw/zinc/57/05/85/569570585.db2.gz KYEUBSQOGJTEPL-UHFFFAOYSA-N 1 1 446.573 3.302 50 5 IGBAMO COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000017198575 569584782 /nfs/dbraw/zinc/58/47/82/569584782.db2.gz OBZWXWMBUGEJLR-UHFFFAOYSA-N 1 1 435.488 3.041 50 5 IGBAMO COc1cc(C[C@@H]2c3c(cc(OC)c(OC)c3OC)CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000003124408 569440501 /nfs/dbraw/zinc/44/05/01/569440501.db2.gz VBDZJGUUGCSLPF-MRXNPFEDSA-N 1 1 432.473 3.410 50 5 IGBAMO CC(C)(C)NS(=O)(=O)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000058147759 569448757 /nfs/dbraw/zinc/44/87/57/569448757.db2.gz APQLDBLGRDTMJP-UHFFFAOYSA-N 1 1 448.545 3.247 50 5 IGBAMO CC(C)OC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154866 568964646 /nfs/dbraw/zinc/96/46/46/568964646.db2.gz FXMPJPGOYSKVGZ-UXHICEINSA-N 1 1 426.473 3.304 50 5 IGBAMO Cc1[nH+]c(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000089708966 569161917 /nfs/dbraw/zinc/16/19/17/569161917.db2.gz BXFZPKZMOZRHRL-HNNXBMFYSA-N 1 1 447.561 3.469 50 5 IGBAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000016694517 568938190 /nfs/dbraw/zinc/93/81/90/568938190.db2.gz UQKCJRASSVCVPU-UHFFFAOYSA-N 1 1 441.440 3.041 50 5 IGBAMO CC(C)OC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154868 568964674 /nfs/dbraw/zinc/96/46/74/568964674.db2.gz FXMPJPGOYSKVGZ-PMACEKPBSA-N 1 1 426.473 3.304 50 5 IGBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681837 568992609 /nfs/dbraw/zinc/99/26/09/568992609.db2.gz SEEUMRGRRWWOQR-GGAORHGYSA-N 1 1 440.519 3.369 50 5 IGBAMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000058450238 569454829 /nfs/dbraw/zinc/45/48/29/569454829.db2.gz XWCZJZCYBPEEKC-UHFFFAOYSA-N 1 1 444.557 3.092 50 5 IGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3nonc3-c3ccccc3)CC2)c2ncccc12 ZINC000013896726 132355375 /nfs/dbraw/zinc/35/53/75/132355375.db2.gz KLFVOMYALSMFCK-UHFFFAOYSA-N 1 1 446.467 3.394 50 5 IGBAMO CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894793 519714967 /nfs/dbraw/zinc/71/49/67/519714967.db2.gz QCUKUILEBDHDOZ-IFMALSPDSA-N 1 1 426.492 3.122 50 5 IGBAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)CC1 ZINC000040152040 569493368 /nfs/dbraw/zinc/49/33/68/569493368.db2.gz QAPFRDTWAJKWLR-UHFFFAOYSA-N 1 1 425.514 3.276 50 5 IGBAMO COc1ccccc1Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(N)c1[N+](=O)[O-] ZINC000020328858 518169415 /nfs/dbraw/zinc/16/94/15/518169415.db2.gz NUDSTHQSLZMZCY-UHFFFAOYSA-N 1 1 435.488 3.041 50 5 IGBAMO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000020739477 527116756 /nfs/dbraw/zinc/11/67/56/527116756.db2.gz LPVNYCMLEMZXQI-SFTDATJTSA-N 1 1 446.507 3.373 50 5 IGBAMO O=C(NCCc1ccccc1F)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048300527 557062377 /nfs/dbraw/zinc/06/23/77/557062377.db2.gz RMWXHRPEWOEEBP-UHFFFAOYSA-N 1 1 425.464 3.112 50 5 IGBAMO O=C(C[NH+]1CCCCCC1)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000069814456 569519793 /nfs/dbraw/zinc/51/97/93/569519793.db2.gz DQABIVYISUFUQC-UHFFFAOYSA-N 1 1 432.502 3.210 50 5 IGBAMO C[N@H+](CCO)CCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000009461510 569537061 /nfs/dbraw/zinc/53/70/61/569537061.db2.gz YULUSXHOIOPQBI-UHFFFAOYSA-N 1 1 429.476 3.277 50 5 IGBAMO C[N@@H+](CCO)CCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000009461510 569537062 /nfs/dbraw/zinc/53/70/62/569537062.db2.gz YULUSXHOIOPQBI-UHFFFAOYSA-N 1 1 429.476 3.277 50 5 IGBAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032882734 556509376 /nfs/dbraw/zinc/50/93/76/556509376.db2.gz JXQFKOZOVHXGHH-KBPBESRZSA-N 1 1 446.470 3.420 50 5 IGBAMO O=C(CSc1ccsc1[N+](=O)[O-])NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020355379 569361333 /nfs/dbraw/zinc/36/13/33/569361333.db2.gz IISPTVXPKNQSAB-UHFFFAOYSA-N 1 1 438.550 3.216 50 5 IGBAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000095407813 569364702 /nfs/dbraw/zinc/36/47/02/569364702.db2.gz DWJJRWOIQJNEAB-SFHVURJKSA-N 1 1 447.561 3.333 50 5 IGBAMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000107361827 557535734 /nfs/dbraw/zinc/53/57/34/557535734.db2.gz ZBCCQWRJRFLURP-SUMWQHHRSA-N 1 1 440.466 3.429 50 5 IGBAMO COCCNc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000025082084 568635567 /nfs/dbraw/zinc/63/55/67/568635567.db2.gz VVGIKYVUTVAALC-UHFFFAOYSA-N 1 1 442.516 3.010 50 5 IGBAMO COCCNc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000025082084 568635568 /nfs/dbraw/zinc/63/55/68/568635568.db2.gz VVGIKYVUTVAALC-UHFFFAOYSA-N 1 1 442.516 3.010 50 5 IGBAMO C[N@H+](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1C(F)(F)F ZINC000012526672 568742409 /nfs/dbraw/zinc/74/24/09/568742409.db2.gz AKMHOTQAZLKYOI-UHFFFAOYSA-N 1 1 436.434 3.394 50 5 IGBAMO C[N@@H+](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1C(F)(F)F ZINC000012526672 568742410 /nfs/dbraw/zinc/74/24/10/568742410.db2.gz AKMHOTQAZLKYOI-UHFFFAOYSA-N 1 1 436.434 3.394 50 5 IGBAMO CCc1cc(N2CCC([N@@H+](C)CC(=O)NC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089282890 568917965 /nfs/dbraw/zinc/91/79/65/568917965.db2.gz VKNKHNVBEMEBCT-UHFFFAOYSA-N 1 1 440.548 3.039 50 5 IGBAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250292 568983811 /nfs/dbraw/zinc/98/38/11/568983811.db2.gz FFBHTSOBLBZCSQ-XMSQKQJNSA-N 1 1 442.560 3.312 50 5 IGBAMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CCOc2nonc2-c2ccccc2)CC1 ZINC000055433493 569405194 /nfs/dbraw/zinc/40/51/94/569405194.db2.gz AGCSZKUAUVFRIZ-UHFFFAOYSA-N 1 1 429.864 3.499 50 5 IGBAMO O=c1c2c3c(sc2nc2c4ccccc4c(NCCC[NH+]4CCOCC4)nn12)CCCC3 ZINC000012624906 527459869 /nfs/dbraw/zinc/45/98/69/527459869.db2.gz IHJDDZTZJCUCQL-UHFFFAOYSA-N 1 1 449.580 3.470 50 5 IGBAMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000084714550 568800275 /nfs/dbraw/zinc/80/02/75/568800275.db2.gz ZBCCQWRJRFLURP-GUYCJALGSA-N 1 1 440.466 3.429 50 5 IGBAMO CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH+]2CCCC2)cc1 ZINC000016286100 568875395 /nfs/dbraw/zinc/87/53/95/568875395.db2.gz WXZCCAPOYVXSER-UHFFFAOYSA-N 1 1 440.456 3.058 50 5 IGBAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000040151566 569493321 /nfs/dbraw/zinc/49/33/21/569493321.db2.gz JZUCWENSKMJILB-UHFFFAOYSA-N 1 1 427.505 3.063 50 5 IGBAMO Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1[N+](=O)[O-] ZINC000010186595 132242890 /nfs/dbraw/zinc/24/28/90/132242890.db2.gz LYSQRYWXLLNFNT-UHFFFAOYSA-N 1 1 432.484 3.364 50 5 IGBAMO CC[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000032829947 556416777 /nfs/dbraw/zinc/41/67/77/556416777.db2.gz JAYFXFIAIYZXJL-NRFANRHFSA-N 1 1 438.528 3.316 50 5 IGBAMO Cc1ccc(NS(=O)(=O)c2ccc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015206623 568732127 /nfs/dbraw/zinc/73/21/27/568732127.db2.gz BUXFBUILTWMCGA-UHFFFAOYSA-N 1 1 448.545 3.147 50 5 IGBAMO CN(CC(C)(C)C[N@H+](C)CCN1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000095980377 569377937 /nfs/dbraw/zinc/37/79/37/569377937.db2.gz PBWQEUKJZLMSFB-UHFFFAOYSA-N 1 1 431.581 3.295 50 5 IGBAMO CN(CC(C)(C)C[N@@H+](C)CCN1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000095980377 569377939 /nfs/dbraw/zinc/37/79/39/569377939.db2.gz PBWQEUKJZLMSFB-UHFFFAOYSA-N 1 1 431.581 3.295 50 5 IGBAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032860281 556447102 /nfs/dbraw/zinc/44/71/02/556447102.db2.gz GWDYBJABHFCLKI-CYBMUJFWSA-N 1 1 435.864 3.218 50 5 IGBAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032860282 556447275 /nfs/dbraw/zinc/44/72/75/556447275.db2.gz GWDYBJABHFCLKI-ZDUSSCGKSA-N 1 1 435.864 3.218 50 5 IGBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681838 568992529 /nfs/dbraw/zinc/99/25/29/568992529.db2.gz SEEUMRGRRWWOQR-GMAHTHKFSA-N 1 1 440.519 3.369 50 5 IGBAMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000242324414 569212229 /nfs/dbraw/zinc/21/22/29/569212229.db2.gz ZBCCQWRJRFLURP-CXAGYDPISA-N 1 1 440.466 3.429 50 5 IGBAMO Cc1[nH+]ccn1CCCNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000225422695 569299663 /nfs/dbraw/zinc/29/96/63/569299663.db2.gz OCLHVIGFZMQZMP-UHFFFAOYSA-N 1 1 435.550 3.459 50 5 IGBAMO Cc1ccc(CNC(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1F ZINC000048274215 557051585 /nfs/dbraw/zinc/05/15/85/557051585.db2.gz PIBVSLXBUBJIQS-UHFFFAOYSA-N 1 1 425.464 3.378 50 5 IGBAMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000084714547 568800194 /nfs/dbraw/zinc/80/01/94/568800194.db2.gz ZBCCQWRJRFLURP-DYVFJYSZSA-N 1 1 440.466 3.429 50 5 IGBAMO Cc1c(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cccc1[N+](=O)[O-] ZINC000010186601 132243179 /nfs/dbraw/zinc/24/31/79/132243179.db2.gz KISOBFBTUANYCM-UHFFFAOYSA-N 1 1 432.484 3.364 50 5 IGBAMO CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870347 521744905 /nfs/dbraw/zinc/74/49/05/521744905.db2.gz CYZCUKPDXQOGII-TZIWHRDSSA-N 1 1 428.920 3.247 50 5 IGBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000247406082 557087512 /nfs/dbraw/zinc/08/75/12/557087512.db2.gz OMJJVXJCYLSUJZ-RBBKRZOGSA-N 1 1 440.931 3.390 50 5 IGBAMO Cc1[nH+]c(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000089708967 569161893 /nfs/dbraw/zinc/16/18/93/569161893.db2.gz BXFZPKZMOZRHRL-OAHLLOKOSA-N 1 1 447.561 3.469 50 5 IGBAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014334622 569158589 /nfs/dbraw/zinc/15/85/89/569158589.db2.gz JXQFKOZOVHXGHH-OKILXGFUSA-N 1 1 446.470 3.420 50 5 IGBAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014334622 569158591 /nfs/dbraw/zinc/15/85/91/569158591.db2.gz JXQFKOZOVHXGHH-OKILXGFUSA-N 1 1 446.470 3.420 50 5 IGBAMO Cc1cc(C2=CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966576 569320562 /nfs/dbraw/zinc/32/05/62/569320562.db2.gz OJCBKCVREAEZSO-QFIPXVFZSA-N 1 1 436.512 3.002 50 5 IGBAMO Cc1cc(C2=CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966576 569320564 /nfs/dbraw/zinc/32/05/64/569320564.db2.gz OJCBKCVREAEZSO-QFIPXVFZSA-N 1 1 436.512 3.002 50 5 IGBAMO CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894795 519716264 /nfs/dbraw/zinc/71/62/64/519716264.db2.gz QCUKUILEBDHDOZ-RBBKRZOGSA-N 1 1 426.492 3.122 50 5 IGBAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1 ZINC000022852826 527478812 /nfs/dbraw/zinc/47/88/12/527478812.db2.gz BBKDVFGXZNDPPO-UHFFFAOYSA-N 1 1 435.480 3.445 50 5 IGBAMO O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035870349 527493549 /nfs/dbraw/zinc/49/35/49/527493549.db2.gz OMJJVXJCYLSUJZ-UNMCSNQZSA-N 1 1 440.931 3.390 50 5 IGBAMO Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000061942381 556762471 /nfs/dbraw/zinc/76/24/71/556762471.db2.gz LQKIQMYNVLNVGJ-UHFFFAOYSA-N 1 1 433.516 3.210 50 5 IGBAMO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000102783272 557387652 /nfs/dbraw/zinc/38/76/52/557387652.db2.gz LPVNYCMLEMZXQI-NHCUHLMSSA-N 1 1 446.507 3.373 50 5 IGBAMO CC[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000032829952 556416803 /nfs/dbraw/zinc/41/68/03/556416803.db2.gz JAYFXFIAIYZXJL-OAQYLSRUSA-N 1 1 438.528 3.316 50 5 IGBAMO Cc1cc(N2CCC([N@@H+](C)CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)nc(C)n1 ZINC000072308288 556565996 /nfs/dbraw/zinc/56/59/96/556565996.db2.gz TZDCTAJTPPWTQG-UHFFFAOYSA-N 1 1 426.521 3.239 50 5 IGBAMO CN(C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029118947 569427295 /nfs/dbraw/zinc/42/72/95/569427295.db2.gz IXTDYJXFZOGUEY-UHFFFAOYSA-N 1 1 437.422 3.184 50 5 IGBAMO CN(C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029118947 569427297 /nfs/dbraw/zinc/42/72/97/569427297.db2.gz IXTDYJXFZOGUEY-UHFFFAOYSA-N 1 1 437.422 3.184 50 5 IGBAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000029939855 569439739 /nfs/dbraw/zinc/43/97/39/569439739.db2.gz BZGCSGLLRRMGLP-SFHVURJKSA-N 1 1 439.921 3.372 50 5 IGBAMO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000040017424 569482658 /nfs/dbraw/zinc/48/26/58/569482658.db2.gz QESLYIICLVOUHP-UHFFFAOYSA-N 1 1 438.484 3.017 50 5 IGBAMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000004481721 132272210 /nfs/dbraw/zinc/27/22/10/132272210.db2.gz RVJXXCDSIYVQHS-UHFFFAOYSA-N 1 1 432.889 3.307 50 5 IGBAMO C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024848 525894360 /nfs/dbraw/zinc/89/43/60/525894360.db2.gz MZTSYDOMEBPGFN-OAHLLOKOSA-N 1 1 431.876 3.138 50 5 IGBAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1cccc([N+](=O)[O-])c1 ZINC000022852839 527478783 /nfs/dbraw/zinc/47/87/83/527478783.db2.gz HITIKBJEBKABGV-UHFFFAOYSA-N 1 1 435.480 3.445 50 5 IGBAMO O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104915610 557464349 /nfs/dbraw/zinc/46/43/49/557464349.db2.gz VBUWGWGBBOUXFX-FYYLOGMGSA-N 1 1 438.503 3.123 50 5 IGBAMO CCOc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020289946 569359240 /nfs/dbraw/zinc/35/92/40/569359240.db2.gz QUHCPARHRGPOJG-UHFFFAOYSA-N 1 1 449.515 3.432 50 5 IGBAMO C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCCCC3)cc1[N+](=O)[O-])CC2 ZINC000095460528 569369592 /nfs/dbraw/zinc/36/95/92/569369592.db2.gz MDVQBDCAZFZDRD-UHFFFAOYSA-N 1 1 436.578 3.224 50 5 IGBAMO O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000230127512 569438843 /nfs/dbraw/zinc/43/88/43/569438843.db2.gz OMJJVXJCYLSUJZ-IFMALSPDSA-N 1 1 440.931 3.390 50 5 IGBAMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c(OC)c1OC ZINC000012759258 522120253 /nfs/dbraw/zinc/12/02/53/522120253.db2.gz CBSKMPLAGNQNKN-OAHLLOKOSA-N 1 1 437.880 3.307 50 5 IGBAMO C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000035870233 523930791 /nfs/dbraw/zinc/93/07/91/523930791.db2.gz CCWPZKCEHRABPU-ICSRJNTNSA-N 1 1 448.445 3.223 50 5 IGBAMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000100391821 557401474 /nfs/dbraw/zinc/40/14/74/557401474.db2.gz YYGNSRHUKORFEV-UHFFFAOYSA-N 1 1 432.889 3.307 50 5 IGBAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000032504644 568811440 /nfs/dbraw/zinc/81/14/40/568811440.db2.gz XVWYOVZBAQXOER-UHFFFAOYSA-N 1 1 438.528 3.183 50 5 IGBAMO CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677743 568989757 /nfs/dbraw/zinc/98/97/57/568989757.db2.gz CYZCUKPDXQOGII-FPOVZHCZSA-N 1 1 428.920 3.247 50 5 IGBAMO CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681844 568992573 /nfs/dbraw/zinc/99/25/73/568992573.db2.gz QCUKUILEBDHDOZ-IRLDBZIGSA-N 1 1 426.492 3.122 50 5 IGBAMO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000019683947 569326307 /nfs/dbraw/zinc/32/63/07/569326307.db2.gz UBWBNIXUZIPKDQ-UHFFFAOYSA-N 1 1 438.937 3.499 50 5 IGBAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384405 569461110 /nfs/dbraw/zinc/46/11/10/569461110.db2.gz LEZUPWJYXQXJRO-SFHVURJKSA-N 1 1 430.457 3.153 50 5 IGBAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384405 569461111 /nfs/dbraw/zinc/46/11/11/569461111.db2.gz LEZUPWJYXQXJRO-SFHVURJKSA-N 1 1 430.457 3.153 50 5 IGBAMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040090756 569487456 /nfs/dbraw/zinc/48/74/56/569487456.db2.gz XVCYNJXMPJNDGX-FQEVSTJZSA-N 1 1 440.891 3.396 50 5 IGBAMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000253427982 569267490 /nfs/dbraw/zinc/26/74/90/569267490.db2.gz OOAZAFILVOMOIS-UHFFFAOYSA-N 1 1 427.501 3.323 50 5 IGBAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c(OC)c1OC ZINC000012759261 522116572 /nfs/dbraw/zinc/11/65/72/522116572.db2.gz CBSKMPLAGNQNKN-HNNXBMFYSA-N 1 1 437.880 3.307 50 5 IGBAMO COc1cc(OC)c(C2=CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000032860416 556447480 /nfs/dbraw/zinc/44/74/80/556447480.db2.gz FWMQKBAVFIGVSR-GOSISDBHSA-N 1 1 444.484 3.150 50 5 IGBAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000032860416 556447483 /nfs/dbraw/zinc/44/74/83/556447483.db2.gz FWMQKBAVFIGVSR-GOSISDBHSA-N 1 1 444.484 3.150 50 5 IGBAMO O=C(NCCc1ccccc1F)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048274190 557051532 /nfs/dbraw/zinc/05/15/32/557051532.db2.gz YIMXVTOFWXQCHD-UHFFFAOYSA-N 1 1 425.464 3.112 50 5 IGBAMO CCN(CC)S(=O)(=O)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000058157970 520806322 /nfs/dbraw/zinc/80/63/22/520806322.db2.gz WZJTUKOPRUZBIJ-UHFFFAOYSA-N 1 1 448.545 3.201 50 5 IGBAMO C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000106606208 557530445 /nfs/dbraw/zinc/53/04/45/557530445.db2.gz CCWPZKCEHRABPU-QUCCMNQESA-N 1 1 448.445 3.223 50 5 IGBAMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000026340948 568877039 /nfs/dbraw/zinc/87/70/39/568877039.db2.gz CVZPURJKJCEVOS-MRXNPFEDSA-N 1 1 426.473 3.283 50 5 IGBAMO COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000016757500 569161279 /nfs/dbraw/zinc/16/12/79/569161279.db2.gz LOYYRULNSREEPQ-UHFFFAOYSA-N 1 1 435.488 3.041 50 5 IGBAMO C[NH+](C)CCN(CCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000079047823 569323283 /nfs/dbraw/zinc/32/32/83/569323283.db2.gz AJSPCFIYFIJDAO-UHFFFAOYSA-N 1 1 427.473 3.202 50 5 IGBAMO O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020150132 563023766 /nfs/dbraw/zinc/02/37/66/563023766.db2.gz MLWXFIPSTWMNJP-UHFFFAOYSA-N 1 1 439.903 3.451 50 5 IGBAMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000026340951 568877119 /nfs/dbraw/zinc/87/71/19/568877119.db2.gz CVZPURJKJCEVOS-INIZCTEOSA-N 1 1 426.473 3.283 50 5 IGBAMO Cc1cc(C2=CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966587 569320661 /nfs/dbraw/zinc/32/06/61/569320661.db2.gz OJCBKCVREAEZSO-JOCHJYFZSA-N 1 1 436.512 3.002 50 5 IGBAMO Cc1cc(C2=CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966587 569320662 /nfs/dbraw/zinc/32/06/62/569320662.db2.gz OJCBKCVREAEZSO-JOCHJYFZSA-N 1 1 436.512 3.002 50 5 IGBAMO C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000248090502 556661464 /nfs/dbraw/zinc/66/14/64/556661464.db2.gz CCWPZKCEHRABPU-AZUAARDMSA-N 1 1 448.445 3.223 50 5 IGBAMO Cc1ccc(CNC(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1F ZINC000048289364 557054350 /nfs/dbraw/zinc/05/43/50/557054350.db2.gz XLQIIHHBZQXJRG-UHFFFAOYSA-N 1 1 425.464 3.378 50 5 IGBAMO COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675641 557840766 /nfs/dbraw/zinc/84/07/66/557840766.db2.gz WNBJAMWCYHOYNO-UHFFFAOYSA-N 1 1 443.500 3.256 50 5 IGBAMO COc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[NH+]2CCCC2)cc1 ZINC000015329330 568758339 /nfs/dbraw/zinc/75/83/39/568758339.db2.gz KPMKGHIOYJBXKM-HXUWFJFHSA-N 1 1 433.530 3.336 50 5 IGBAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016043634 568867971 /nfs/dbraw/zinc/86/79/71/568867971.db2.gz YYWUOLOHZNUJHD-UHFFFAOYSA-N 1 1 433.306 3.114 50 5 IGBAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250294 568983750 /nfs/dbraw/zinc/98/37/50/568983750.db2.gz FFBHTSOBLBZCSQ-GCJKJVERSA-N 1 1 442.560 3.312 50 5 IGBAMO COc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020229746 569356966 /nfs/dbraw/zinc/35/69/66/569356966.db2.gz MFHXMQDAAXIJGR-UHFFFAOYSA-N 1 1 435.488 3.041 50 5 IGBAMO O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCCC1 ZINC000230134761 569439129 /nfs/dbraw/zinc/43/91/29/569439129.db2.gz HFTBBFHGKZJSBI-FYYLOGMGSA-N 1 1 438.503 3.219 50 5 IGBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894789 519739803 /nfs/dbraw/zinc/73/98/03/519739803.db2.gz SEEUMRGRRWWOQR-FYYLOGMGSA-N 1 1 440.519 3.369 50 5 IGBAMO C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024849 525890939 /nfs/dbraw/zinc/89/09/39/525890939.db2.gz MZTSYDOMEBPGFN-HNNXBMFYSA-N 1 1 431.876 3.138 50 5 IGBAMO CC(C)OC[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154872 568964757 /nfs/dbraw/zinc/96/47/57/568964757.db2.gz FXMPJPGOYSKVGZ-WOJBJXKFSA-N 1 1 426.473 3.304 50 5 IGBAMO CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681845 568992520 /nfs/dbraw/zinc/99/25/20/568992520.db2.gz QCUKUILEBDHDOZ-UNMCSNQZSA-N 1 1 426.492 3.122 50 5 IGBAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000029939853 569439727 /nfs/dbraw/zinc/43/97/27/569439727.db2.gz BZGCSGLLRRMGLP-GOSISDBHSA-N 1 1 439.921 3.372 50 5 IGBAMO COc1cc(OC)c(C2=CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000032860417 556447513 /nfs/dbraw/zinc/44/75/13/556447513.db2.gz FWMQKBAVFIGVSR-SFHVURJKSA-N 1 1 444.484 3.150 50 5 IGBAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC000032860417 556447517 /nfs/dbraw/zinc/44/75/17/556447517.db2.gz FWMQKBAVFIGVSR-SFHVURJKSA-N 1 1 444.484 3.150 50 5 IGBAMO O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104915612 557464512 /nfs/dbraw/zinc/46/45/12/557464512.db2.gz VBUWGWGBBOUXFX-JTHBVZDNSA-N 1 1 438.503 3.123 50 5 IGBAMO O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1 ZINC000104920692 557465713 /nfs/dbraw/zinc/46/57/13/557465713.db2.gz HFTBBFHGKZJSBI-GGAORHGYSA-N 1 1 438.503 3.219 50 5 IGBAMO CC(C)OC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154874 568964751 /nfs/dbraw/zinc/96/47/51/568964751.db2.gz FXMPJPGOYSKVGZ-VQTJNVASSA-N 1 1 426.473 3.304 50 5 IGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)cc1N1CCOCC1 ZINC000055526908 569363462 /nfs/dbraw/zinc/36/34/62/569363462.db2.gz PVYLVFNPEKLIQR-UHFFFAOYSA-N 1 1 446.935 3.286 50 5 IGBAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384406 569461141 /nfs/dbraw/zinc/46/11/41/569461141.db2.gz LEZUPWJYXQXJRO-GOSISDBHSA-N 1 1 430.457 3.153 50 5 IGBAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384406 569461142 /nfs/dbraw/zinc/46/11/42/569461142.db2.gz LEZUPWJYXQXJRO-GOSISDBHSA-N 1 1 430.457 3.153 50 5 IGBAMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040090755 569487460 /nfs/dbraw/zinc/48/74/60/569487460.db2.gz XVCYNJXMPJNDGX-HXUWFJFHSA-N 1 1 440.891 3.396 50 5 IGBAMO COc1ccc([C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[NH+]2CCCC2)cc1 ZINC000015329331 525362312 /nfs/dbraw/zinc/36/23/12/525362312.db2.gz KPMKGHIOYJBXKM-FQEVSTJZSA-N 1 1 433.530 3.336 50 5 IGBAMO C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000248090505 556661414 /nfs/dbraw/zinc/66/14/14/556661414.db2.gz CCWPZKCEHRABPU-UYAOXDASSA-N 1 1 448.445 3.223 50 5 IGBAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250295 568983856 /nfs/dbraw/zinc/98/38/56/568983856.db2.gz FFBHTSOBLBZCSQ-AVRDEDQJSA-N 1 1 442.560 3.312 50 5 IGBAMO CCCn1nnnc1CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000040120742 569489510 /nfs/dbraw/zinc/48/95/10/569489510.db2.gz YSIQSBAEGZZUGZ-UHFFFAOYSA-N 1 1 427.534 3.038 50 5 IGBAMO