smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164663756 719348763 /nfs/dbraw/zinc/34/87/63/719348763.db2.gz LHZIAIJRKKYPOA-UHFFFAOYSA-N 1 2 433.516 3.388 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164663756 719348766 /nfs/dbraw/zinc/34/87/66/719348766.db2.gz LHZIAIJRKKYPOA-UHFFFAOYSA-N 1 2 433.516 3.388 20 5 IGBDLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164944233 721971190 /nfs/dbraw/zinc/97/11/90/721971190.db2.gz HIOIINBSMMELCM-UHFFFAOYSA-N 1 2 445.523 3.422 20 5 IGBDLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164944233 721971192 /nfs/dbraw/zinc/97/11/92/721971192.db2.gz HIOIINBSMMELCM-UHFFFAOYSA-N 1 2 445.523 3.422 20 5 IGBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164947721 721976179 /nfs/dbraw/zinc/97/61/79/721976179.db2.gz RIUAKWUNZFEFJA-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164947721 721976180 /nfs/dbraw/zinc/97/61/80/721976180.db2.gz RIUAKWUNZFEFJA-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164702453 719851253 /nfs/dbraw/zinc/85/12/53/719851253.db2.gz NEZXAIASJJUWJN-SZNDQCEHSA-N 1 2 448.907 3.029 20 5 IGBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164700084 719858624 /nfs/dbraw/zinc/85/86/24/719858624.db2.gz GFRLYTTWNKHQEE-QKKBWIMNSA-N 1 2 448.907 3.029 20 5 IGBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164660875 719355552 /nfs/dbraw/zinc/35/55/52/719355552.db2.gz ZELGIIJHPJRKRE-UHFFFAOYSA-N 1 2 433.516 3.388 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164660875 719355555 /nfs/dbraw/zinc/35/55/55/719355555.db2.gz ZELGIIJHPJRKRE-UHFFFAOYSA-N 1 2 433.516 3.388 20 5 IGBDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164917444 721814589 /nfs/dbraw/zinc/81/45/89/721814589.db2.gz NIKYQICTLHTKQT-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164917444 721814590 /nfs/dbraw/zinc/81/45/90/721814590.db2.gz NIKYQICTLHTKQT-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO O=[N+]([O-])c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc2[nH]ccc21 ZINC001164673397 719517001 /nfs/dbraw/zinc/51/70/01/719517001.db2.gz RTQYYQXGTYGBRX-UHFFFAOYSA-N 1 2 425.464 3.482 20 5 IGBDLO O=[N+]([O-])c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc2[nH]ccc21 ZINC001164673397 719517008 /nfs/dbraw/zinc/51/70/08/719517008.db2.gz RTQYYQXGTYGBRX-UHFFFAOYSA-N 1 2 425.464 3.482 20 5 IGBDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164725462 720312758 /nfs/dbraw/zinc/31/27/58/720312758.db2.gz VQBRRQGELRVIJD-AWEZNQCLSA-N 1 2 442.854 3.205 20 5 IGBDLO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164873237 721216771 /nfs/dbraw/zinc/21/67/71/721216771.db2.gz QGHZFCKLWZPVBR-UHFFFAOYSA-N 1 2 439.850 3.459 20 5 IGBDLO Cc1ccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)cc1[N+](=O)[O-] ZINC001165009200 721709491 /nfs/dbraw/zinc/70/94/91/721709491.db2.gz RIYAXQUREQAEAN-UHFFFAOYSA-N 1 2 436.520 3.202 20 5 IGBDLO Cc1ccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)cc1[N+](=O)[O-] ZINC001165009200 721709497 /nfs/dbraw/zinc/70/94/97/721709497.db2.gz RIYAXQUREQAEAN-UHFFFAOYSA-N 1 2 436.520 3.202 20 5 IGBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2 ZINC001164659856 719345632 /nfs/dbraw/zinc/34/56/32/719345632.db2.gz FVFNSUXOJCGEQE-UHFFFAOYSA-N 1 2 449.515 3.088 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2 ZINC001164659856 719345634 /nfs/dbraw/zinc/34/56/34/719345634.db2.gz FVFNSUXOJCGEQE-UHFFFAOYSA-N 1 2 449.515 3.088 20 5 IGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164919052 721820640 /nfs/dbraw/zinc/82/06/40/721820640.db2.gz LICWKGQDPHZPPM-UHFFFAOYSA-N 1 2 437.479 3.137 20 5 IGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164919103 721821732 /nfs/dbraw/zinc/82/17/32/721821732.db2.gz MDOBOKJBBPQARC-UHFFFAOYSA-N 1 2 427.896 3.137 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165011708 721699966 /nfs/dbraw/zinc/69/99/66/721699966.db2.gz WNRMLGREMIZDQH-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165011708 721699968 /nfs/dbraw/zinc/69/99/68/721699968.db2.gz WNRMLGREMIZDQH-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164702447 719851291 /nfs/dbraw/zinc/85/12/91/719851291.db2.gz NEZXAIASJJUWJN-LHSJRXKWSA-N 1 2 448.907 3.029 20 5 IGBDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164722723 720313175 /nfs/dbraw/zinc/31/31/75/720313175.db2.gz LEJMUHVTJNHAOY-HNNXBMFYSA-N 1 2 442.854 3.205 20 5 IGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164917157 721819342 /nfs/dbraw/zinc/81/93/42/721819342.db2.gz CLLKLLJLTHSMOP-UHFFFAOYSA-N 1 2 445.833 3.003 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001165010757 721698909 /nfs/dbraw/zinc/69/89/09/721698909.db2.gz LVQZZOFESZEIIU-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001165010757 721698911 /nfs/dbraw/zinc/69/89/11/721698911.db2.gz LVQZZOFESZEIIU-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164918430 721814260 /nfs/dbraw/zinc/81/42/60/721814260.db2.gz XIYIDMYMNSCOLJ-UHFFFAOYSA-N 1 2 427.896 3.137 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001165010322 721698920 /nfs/dbraw/zinc/69/89/20/721698920.db2.gz HGILXZMAPCCQRR-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001165010322 721698924 /nfs/dbraw/zinc/69/89/24/721698924.db2.gz HGILXZMAPCCQRR-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673387 719515959 /nfs/dbraw/zinc/51/59/59/719515959.db2.gz RFJLLUUCPVRZCS-UHFFFAOYSA-N 1 2 425.464 3.482 20 5 IGBDLO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673387 719515974 /nfs/dbraw/zinc/51/59/74/719515974.db2.gz RFJLLUUCPVRZCS-UHFFFAOYSA-N 1 2 425.464 3.482 20 5 IGBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001164756994 720976442 /nfs/dbraw/zinc/97/64/42/720976442.db2.gz LQKOKNUATVRAPL-CYBMUJFWSA-N 1 2 427.839 3.448 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001165012034 721721781 /nfs/dbraw/zinc/72/17/81/721721781.db2.gz ZFMRBGJOVAURNH-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001165012034 721721782 /nfs/dbraw/zinc/72/17/82/721721782.db2.gz ZFMRBGJOVAURNH-UHFFFAOYSA-N 1 2 430.900 3.033 20 5 IGBDLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1 ZINC001164912065 721775125 /nfs/dbraw/zinc/77/51/25/721775125.db2.gz JZIZHDIMVICFLQ-AREMUKBSSA-N 1 2 441.535 3.286 20 5 IGBDLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1 ZINC001164912065 721775128 /nfs/dbraw/zinc/77/51/28/721775128.db2.gz JZIZHDIMVICFLQ-AREMUKBSSA-N 1 2 441.535 3.286 20 5 IGBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674392 719497710 /nfs/dbraw/zinc/49/77/10/719497710.db2.gz VZBSSVHCZDFLJQ-UHFFFAOYSA-N 1 2 435.887 3.357 20 5 IGBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674392 719497713 /nfs/dbraw/zinc/49/77/13/719497713.db2.gz VZBSSVHCZDFLJQ-UHFFFAOYSA-N 1 2 435.887 3.357 20 5 IGBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164702451 719851358 /nfs/dbraw/zinc/85/13/58/719851358.db2.gz NEZXAIASJJUWJN-SPLOXXLWSA-N 1 2 448.907 3.029 20 5 IGBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164700085 719858829 /nfs/dbraw/zinc/85/88/29/719858829.db2.gz GFRLYTTWNKHQEE-SPLOXXLWSA-N 1 2 448.907 3.029 20 5 IGBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164702449 719851164 /nfs/dbraw/zinc/85/11/64/719851164.db2.gz NEZXAIASJJUWJN-QKKBWIMNSA-N 1 2 448.907 3.029 20 5 IGBDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164722725 720312630 /nfs/dbraw/zinc/31/26/30/720312630.db2.gz LEJMUHVTJNHAOY-OAHLLOKOSA-N 1 2 442.854 3.205 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001165011501 721718760 /nfs/dbraw/zinc/71/87/60/721718760.db2.gz QZFCTCQIFIZPOS-UHFFFAOYSA-N 1 2 440.483 3.033 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001165011501 721718768 /nfs/dbraw/zinc/71/87/68/721718768.db2.gz QZFCTCQIFIZPOS-UHFFFAOYSA-N 1 2 440.483 3.033 20 5 IGBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164660672 719353303 /nfs/dbraw/zinc/35/33/03/719353303.db2.gz WUTVQTUTJXVIKM-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164660672 719353305 /nfs/dbraw/zinc/35/33/05/719353305.db2.gz WUTVQTUTJXVIKM-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164723380 720311410 /nfs/dbraw/zinc/31/14/10/720311410.db2.gz OKBMAFHIPRXJHN-HNNXBMFYSA-N 1 2 442.854 3.205 20 5 IGBDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164725464 720312219 /nfs/dbraw/zinc/31/22/19/720312219.db2.gz VQBRRQGELRVIJD-CQSZACIVSA-N 1 2 442.854 3.205 20 5 IGBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164870104 721218544 /nfs/dbraw/zinc/21/85/44/721218544.db2.gz FIODLRIBHZUQFH-UHFFFAOYSA-N 1 2 439.850 3.459 20 5 IGBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1Cl ZINC001164875979 721218574 /nfs/dbraw/zinc/21/85/74/721218574.db2.gz YUXNIYKNCXQGHH-UHFFFAOYSA-N 1 2 439.850 3.459 20 5 IGBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164659995 719351520 /nfs/dbraw/zinc/35/15/20/719351520.db2.gz UDHJSXYLMFXOOJ-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164659995 719351521 /nfs/dbraw/zinc/35/15/21/719351521.db2.gz UDHJSXYLMFXOOJ-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164670741 719493122 /nfs/dbraw/zinc/49/31/22/719493122.db2.gz YEIVXLSBMYLACV-UHFFFAOYSA-N 1 2 435.887 3.357 20 5 IGBDLO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164670741 719493132 /nfs/dbraw/zinc/49/31/32/719493132.db2.gz YEIVXLSBMYLACV-UHFFFAOYSA-N 1 2 435.887 3.357 20 5 IGBDLO COc1cc(C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164673214 719506724 /nfs/dbraw/zinc/50/67/24/719506724.db2.gz PUMMMAHKTPCNQV-UHFFFAOYSA-N 1 2 430.480 3.317 20 5 IGBDLO COc1cc(C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164673214 719506734 /nfs/dbraw/zinc/50/67/34/719506734.db2.gz PUMMMAHKTPCNQV-UHFFFAOYSA-N 1 2 430.480 3.317 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001165009932 721695988 /nfs/dbraw/zinc/69/59/88/721695988.db2.gz RXMFHBZIDIGRFU-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001165009932 721695993 /nfs/dbraw/zinc/69/59/93/721695993.db2.gz RXMFHBZIDIGRFU-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1 ZINC001164912068 721774986 /nfs/dbraw/zinc/77/49/86/721774986.db2.gz JZIZHDIMVICFLQ-SANMLTNESA-N 1 2 441.535 3.286 20 5 IGBDLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1 ZINC001164912068 721774988 /nfs/dbraw/zinc/77/49/88/721774988.db2.gz JZIZHDIMVICFLQ-SANMLTNESA-N 1 2 441.535 3.286 20 5 IGBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164945026 721972521 /nfs/dbraw/zinc/97/25/21/721972521.db2.gz NCIQCVFHIZBVIZ-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164945026 721972526 /nfs/dbraw/zinc/97/25/26/721972526.db2.gz NCIQCVFHIZBVIZ-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO O=[N+]([O-])c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164758262 720974747 /nfs/dbraw/zinc/97/47/47/720974747.db2.gz ULNZHMBUPGQMNO-ZDUSSCGKSA-N 1 2 427.839 3.448 20 5 IGBDLO O=[N+]([O-])c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164758261 720975149 /nfs/dbraw/zinc/97/51/49/720975149.db2.gz ULNZHMBUPGQMNO-CYBMUJFWSA-N 1 2 427.839 3.448 20 5 IGBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001165011462 721698610 /nfs/dbraw/zinc/69/86/10/721698610.db2.gz TVGUXMRDEBKSQV-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001165011462 721698612 /nfs/dbraw/zinc/69/86/12/721698612.db2.gz TVGUXMRDEBKSQV-UHFFFAOYSA-N 1 2 429.859 3.030 20 5 IGBDLO O=[N+]([O-])c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164756786 720973242 /nfs/dbraw/zinc/97/32/42/720973242.db2.gz LDWXFIHTENJESP-ZDUSSCGKSA-N 1 2 427.839 3.448 20 5 IGBDLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165008923 721714869 /nfs/dbraw/zinc/71/48/69/721714869.db2.gz LGCOJDKANVHMNF-UHFFFAOYSA-N 1 2 436.520 3.202 20 5 IGBDLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165008923 721714876 /nfs/dbraw/zinc/71/48/76/721714876.db2.gz LGCOJDKANVHMNF-UHFFFAOYSA-N 1 2 436.520 3.202 20 5 IGBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164944971 721973004 /nfs/dbraw/zinc/97/30/04/721973004.db2.gz LJKBRUOEBKQUEX-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164944971 721973007 /nfs/dbraw/zinc/97/30/07/721973007.db2.gz LJKBRUOEBKQUEX-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164700086 719858763 /nfs/dbraw/zinc/85/87/63/719858763.db2.gz GFRLYTTWNKHQEE-SZNDQCEHSA-N 1 2 448.907 3.029 20 5 IGBDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164916200 721812668 /nfs/dbraw/zinc/81/26/68/721812668.db2.gz FWGGXBKWQILZQH-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164916200 721812669 /nfs/dbraw/zinc/81/26/69/721812669.db2.gz FWGGXBKWQILZQH-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164700083 719858704 /nfs/dbraw/zinc/85/87/04/719858704.db2.gz GFRLYTTWNKHQEE-LHSJRXKWSA-N 1 2 448.907 3.029 20 5 IGBDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164658376 719351096 /nfs/dbraw/zinc/35/10/96/719351096.db2.gz FSYOAOGOJYJOEI-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164658376 719351099 /nfs/dbraw/zinc/35/10/99/719351099.db2.gz FSYOAOGOJYJOEI-UHFFFAOYSA-N 1 2 433.516 3.267 20 5 IGBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001164756996 720976217 /nfs/dbraw/zinc/97/62/17/720976217.db2.gz LQKOKNUATVRAPL-ZDUSSCGKSA-N 1 2 427.839 3.448 20 5 IGBDLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164918443 721813856 /nfs/dbraw/zinc/81/38/56/721813856.db2.gz YGOZQMKSPAQUBQ-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164918443 721813858 /nfs/dbraw/zinc/81/38/58/721813858.db2.gz YGOZQMKSPAQUBQ-UHFFFAOYSA-N 1 2 426.855 3.134 20 5 IGBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164946764 721973143 /nfs/dbraw/zinc/97/31/43/721973143.db2.gz VWHGJOJPFUJVHQ-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164946764 721973145 /nfs/dbraw/zinc/97/31/45/721973145.db2.gz VWHGJOJPFUJVHQ-UHFFFAOYSA-N 1 2 431.496 3.114 20 5 IGBDLO CCOc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164674053 719518070 /nfs/dbraw/zinc/51/80/70/719518070.db2.gz ZLBFAVDKSKTKOR-UHFFFAOYSA-N 1 2 430.480 3.399 20 5 IGBDLO CCOc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164674053 719518081 /nfs/dbraw/zinc/51/80/81/719518081.db2.gz ZLBFAVDKSKTKOR-UHFFFAOYSA-N 1 2 430.480 3.399 20 5 IGBDLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164723382 720311003 /nfs/dbraw/zinc/31/10/03/720311003.db2.gz OKBMAFHIPRXJHN-OAHLLOKOSA-N 1 2 442.854 3.205 20 5 IGBDLO O=[N+]([O-])c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164756785 720972742 /nfs/dbraw/zinc/97/27/42/720972742.db2.gz LDWXFIHTENJESP-CYBMUJFWSA-N 1 2 427.839 3.448 20 5 IGBDLO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044422 721959589 /nfs/dbraw/zinc/95/95/89/721959589.db2.gz LAUCQKSJVBXULU-UHFFFAOYSA-N 1 2 431.802 3.258 20 5 IGBDLO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043020 721953030 /nfs/dbraw/zinc/95/30/30/721953030.db2.gz YIVQHVFOAUPTRJ-UHFFFAOYSA-N 1 2 434.880 3.021 20 5 IGBDLO