smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000059416424 195399417 /nfs/dbraw/zinc/39/94/17/195399417.db2.gz LKQQYCUEDOYGCC-IFMALSPDSA-N 0 2 488.887 4.174 40 5 JIBBLN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000014275208 555780113 /nfs/dbraw/zinc/78/01/13/555780113.db2.gz VFTQEYVLGOXNTQ-UHFFFAOYSA-N 0 2 476.308 4.352 40 5 JIBBLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014405155 555807660 /nfs/dbraw/zinc/80/76/60/555807660.db2.gz RRKXUJUJMFKFBY-UHFFFAOYSA-N 0 2 491.529 4.450 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000035178448 569677530 /nfs/dbraw/zinc/67/75/30/569677530.db2.gz URCANUVHVNUHSV-FNORWQNLSA-N 0 2 464.261 4.449 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565732 570203441 /nfs/dbraw/zinc/20/34/41/570203441.db2.gz LYNGNBDBJFUGOW-VPHKFGTKSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565732 570203442 /nfs/dbraw/zinc/20/34/42/570203442.db2.gz LYNGNBDBJFUGOW-VPHKFGTKSA-N 0 2 463.921 4.441 40 5 JIBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408568991 570204250 /nfs/dbraw/zinc/20/42/50/570204250.db2.gz VNRZVZIGADVURK-MOXRBOSHSA-N 0 2 485.540 4.329 40 5 JIBBLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)ccc1Cl ZINC000016778266 527340198 /nfs/dbraw/zinc/34/01/98/527340198.db2.gz FUOSOYKATLCLCT-UHFFFAOYSA-N 0 2 471.882 4.441 40 5 JIBBLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014405012 555807448 /nfs/dbraw/zinc/80/74/48/555807448.db2.gz CQQCNMGSRDXOHT-UHFFFAOYSA-N 0 2 491.529 4.450 40 5 JIBBLN O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652901 569995169 /nfs/dbraw/zinc/99/51/69/569995169.db2.gz INXWUVPPVMOFKQ-LMHXZZLNSA-N 0 2 481.291 4.398 40 5 JIBBLN O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652904 569995200 /nfs/dbraw/zinc/99/52/00/569995200.db2.gz INXWUVPPVMOFKQ-TUUBTQOTSA-N 0 2 481.291 4.398 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565048 570203023 /nfs/dbraw/zinc/20/30/23/570203023.db2.gz HMDPRXGQFFJQPI-GGPAXRDESA-N 0 2 487.556 4.495 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408566701 570203887 /nfs/dbraw/zinc/20/38/87/570203887.db2.gz OKYFVAKWFIQCCZ-UYDITSSVSA-N 0 2 491.519 4.325 40 5 JIBBLN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000039768461 569811865 /nfs/dbraw/zinc/81/18/65/569811865.db2.gz SACMDNSIQBHDRT-UHFFFAOYSA-N 0 2 481.515 4.166 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000409318678 570200625 /nfs/dbraw/zinc/20/06/25/570200625.db2.gz WZWJTPMZVFFNAU-DAXSKMNVSA-N 0 2 492.257 4.456 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408564862 570202856 /nfs/dbraw/zinc/20/28/56/570202856.db2.gz GCXUDFRNJHDVJD-YQIFXUADSA-N 0 2 493.947 4.450 40 5 JIBBLN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000013598478 555529752 /nfs/dbraw/zinc/52/97/52/555529752.db2.gz MSGHTQFMJZREGQ-JTDSTZFVSA-N 0 2 481.408 4.020 40 5 JIBBLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1Cl ZINC000033676622 569630618 /nfs/dbraw/zinc/63/06/18/569630618.db2.gz MXJDHGATBHWHPW-QHHAFSJGSA-N 0 2 464.261 4.449 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565619 570203507 /nfs/dbraw/zinc/20/35/07/570203507.db2.gz LNKQUYKVXIIMHU-MQVPCNEGSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565619 570203508 /nfs/dbraw/zinc/20/35/08/570203508.db2.gz LNKQUYKVXIIMHU-MQVPCNEGSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568211 570204129 /nfs/dbraw/zinc/20/41/29/570204129.db2.gz SIHRXNMGQOZLJN-QFZRFWILSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 ZINC000409103792 570129349 /nfs/dbraw/zinc/12/93/49/570129349.db2.gz YXYVMPARAYYFJR-LZYBPNLTSA-N 0 2 477.882 4.028 40 5 JIBBLN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000009062159 554879445 /nfs/dbraw/zinc/87/94/45/554879445.db2.gz UKNNMXAZWLZLPN-UHFFFAOYSA-N 0 2 481.515 4.166 40 5 JIBBLN C[C@@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574061 569764971 /nfs/dbraw/zinc/76/49/71/569764971.db2.gz RADGSAFFTXGRGW-QRXMYIDTSA-N 0 2 457.482 4.400 40 5 JIBBLN C[C@@]1(O)CC(=O)C(=C(O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574061 569764972 /nfs/dbraw/zinc/76/49/72/569764972.db2.gz RADGSAFFTXGRGW-QRXMYIDTSA-N 0 2 457.482 4.400 40 5 JIBBLN O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652898 569995192 /nfs/dbraw/zinc/99/51/92/569995192.db2.gz INXWUVPPVMOFKQ-CSKPTYFESA-N 0 2 481.291 4.398 40 5 JIBBLN Cc1c(Cl)cccc1N1C(=O)[C@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000103769215 569837947 /nfs/dbraw/zinc/83/79/47/569837947.db2.gz LKQQYCUEDOYGCC-RBBKRZOGSA-N 0 2 488.887 4.174 40 5 JIBBLN O=C([O-])[C@@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)[NH2+]1 ZINC000408987087 570092734 /nfs/dbraw/zinc/09/27/34/570092734.db2.gz AFSVFWWIFKXCDM-XHDPSFHLSA-N 0 2 464.506 4.052 40 5 JIBBLN O=C([O-])[C@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)[NH2+]1 ZINC000408987083 570092756 /nfs/dbraw/zinc/09/27/56/570092756.db2.gz AFSVFWWIFKXCDM-IAQYHMDHSA-N 0 2 464.506 4.052 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565055 570203075 /nfs/dbraw/zinc/20/30/75/570203075.db2.gz HMDPRXGQFFJQPI-PTJQVGQKSA-N 0 2 487.556 4.495 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000034849398 569667236 /nfs/dbraw/zinc/66/72/36/569667236.db2.gz YRYGNOVDZXPBHM-ZZXKWVIFSA-N 0 2 464.261 4.449 40 5 JIBBLN O=C([O-])[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)[NH2+]1 ZINC000408987085 570092711 /nfs/dbraw/zinc/09/27/11/570092711.db2.gz AFSVFWWIFKXCDM-NHYWBVRUSA-N 0 2 464.506 4.052 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565029 570203059 /nfs/dbraw/zinc/20/30/59/570203059.db2.gz HGIUPFAJCGLGKP-OICBGKIFSA-N 0 2 473.529 4.105 40 5 JIBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409327360 570202516 /nfs/dbraw/zinc/20/25/16/570202516.db2.gz SNRNUXXDXRERDW-VURMDHGXSA-N 0 2 486.868 4.036 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408567254 570203989 /nfs/dbraw/zinc/20/39/89/570203989.db2.gz QRBXGMYTXFTQIJ-FBQMUFCQSA-N 0 2 473.529 4.186 40 5 JIBBLN CCOc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] ZINC000032116424 556423638 /nfs/dbraw/zinc/42/36/38/556423638.db2.gz VWASKMJMUHLQRI-UHFFFAOYSA-N 0 2 460.078 4.476 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000033432657 569626359 /nfs/dbraw/zinc/62/63/59/569626359.db2.gz FVNHEGQDAUHZGL-VZUCSPMQSA-N 0 2 481.505 4.318 40 5 JIBBLN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000101882245 569807328 /nfs/dbraw/zinc/80/73/28/569807328.db2.gz MSGHTQFMJZREGQ-TXPKVOOTSA-N 0 2 481.408 4.020 40 5 JIBBLN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652909 569995184 /nfs/dbraw/zinc/99/51/84/569995184.db2.gz IOAHIWWUYKKLRN-LMHXZZLNSA-N 0 2 481.291 4.398 40 5 JIBBLN O=C(CSc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408989163 570093330 /nfs/dbraw/zinc/09/33/30/570093330.db2.gz HDJSEBYMMKBEIJ-UTKZUKDTSA-N 0 2 469.544 4.267 40 5 JIBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408568994 570204278 /nfs/dbraw/zinc/20/42/78/570204278.db2.gz VNRZVZIGADVURK-PBPLDAPSSA-N 0 2 485.540 4.329 40 5 JIBBLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014404872 555807435 /nfs/dbraw/zinc/80/74/35/555807435.db2.gz GDWSDYCLGKBSIR-UHFFFAOYSA-N 0 2 491.529 4.450 40 5 JIBBLN CCCCn1nc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000014405596 555807983 /nfs/dbraw/zinc/80/79/83/555807983.db2.gz SMXUSBZBEFBQJY-UHFFFAOYSA-N 0 2 471.539 4.261 40 5 JIBBLN CC(C)(C)c1ccc(OCCOc2cccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2)cc1 ZINC000033646297 569629559 /nfs/dbraw/zinc/62/95/59/569629559.db2.gz RUTZSXOPKTWHIO-KPKJPENVSA-N 0 2 451.479 4.309 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCSc1cccc2ccccc21 ZINC000107647939 569856840 /nfs/dbraw/zinc/85/68/40/569856840.db2.gz LIVJUFMEDQTXEA-PKNBQFBNSA-N 0 2 491.525 4.475 40 5 JIBBLN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408840276 570053533 /nfs/dbraw/zinc/05/35/33/570053533.db2.gz DDAVJNJDPNSVHH-AQIZGWBQSA-N 0 2 499.523 4.072 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408567257 570204002 /nfs/dbraw/zinc/20/40/02/570204002.db2.gz QRBXGMYTXFTQIJ-OICBGKIFSA-N 0 2 473.529 4.186 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408565364 570203148 /nfs/dbraw/zinc/20/31/48/570203148.db2.gz JYUOUAHPCDGYBG-FODJJAHYSA-N 0 2 493.947 4.450 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568208 570204156 /nfs/dbraw/zinc/20/41/56/570204156.db2.gz SIHRXNMGQOZLJN-PBXXJUDPSA-N 0 2 463.921 4.441 40 5 JIBBLN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000008915563 554809575 /nfs/dbraw/zinc/80/95/75/554809575.db2.gz MSGHTQFMJZREGQ-GJYPPUQNSA-N 0 2 481.408 4.020 40 5 JIBBLN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000032119004 556425999 /nfs/dbraw/zinc/42/59/99/556425999.db2.gz LMRXYZKTDAQALA-UHFFFAOYSA-N 0 2 465.112 4.497 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408566705 570203837 /nfs/dbraw/zinc/20/38/37/570203837.db2.gz OKYFVAKWFIQCCZ-YDOVEJIGSA-N 0 2 491.519 4.325 40 5 JIBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408568984 570204288 /nfs/dbraw/zinc/20/42/88/570204288.db2.gz VNRZVZIGADVURK-HSWHJCFASA-N 0 2 485.540 4.329 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408569794 570204506 /nfs/dbraw/zinc/20/45/06/570204506.db2.gz XVPFJEJYAYAGTB-FESMNKHTSA-N 0 2 491.519 4.325 40 5 JIBBLN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000039749772 569811269 /nfs/dbraw/zinc/81/12/69/569811269.db2.gz XSWUFHQAECHZAU-UHFFFAOYSA-N 0 2 481.515 4.166 40 5 JIBBLN O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261361553 570167163 /nfs/dbraw/zinc/16/71/63/570167163.db2.gz AAADGXCBSVWRSN-OAQYLSRUSA-O 0 2 460.495 4.015 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565243 570203166 /nfs/dbraw/zinc/20/31/66/570203166.db2.gz JCUJYUOUQSTCJM-HFRGRHLUSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408567305 570204043 /nfs/dbraw/zinc/20/40/43/570204043.db2.gz QWTLBNCNEJIUDV-FBQMUFCQSA-N 0 2 491.519 4.325 40 5 JIBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000014270320 555762178 /nfs/dbraw/zinc/76/21/78/555762178.db2.gz VHTBQDBBNHIZFB-UHFFFAOYSA-N 0 2 462.281 4.450 40 5 JIBBLN CC(C)(C)c1ccc(OCCOc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000034718974 569652320 /nfs/dbraw/zinc/65/23/20/569652320.db2.gz OWBFNZGJCLLWID-AWNIVKPZSA-N 0 2 451.479 4.309 40 5 JIBBLN Cn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl ZINC000409158789 570151295 /nfs/dbraw/zinc/15/12/95/570151295.db2.gz LSTYBJPEKYRUTP-UHFFFAOYSA-N 0 2 454.295 4.134 40 5 JIBBLN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001839696 553994471 /nfs/dbraw/zinc/99/44/71/553994471.db2.gz MSGHTQFMJZREGQ-BXWFABGCSA-N 0 2 481.408 4.020 40 5 JIBBLN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652906 569995204 /nfs/dbraw/zinc/99/52/04/569995204.db2.gz IOAHIWWUYKKLRN-CSKPTYFESA-N 0 2 481.291 4.398 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565250 570203271 /nfs/dbraw/zinc/20/32/71/570203271.db2.gz JCUJYUOUQSTCJM-VPHKFGTKSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568205 570204133 /nfs/dbraw/zinc/20/41/33/570204133.db2.gz SIHRXNMGQOZLJN-JHMXWDHMSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408568249 570204170 /nfs/dbraw/zinc/20/41/70/570204170.db2.gz SQCUYMHTAHCKQB-TWWGPRNNSA-N 0 2 462.333 4.447 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408569793 570204489 /nfs/dbraw/zinc/20/44/89/570204489.db2.gz XVPFJEJYAYAGTB-FBQMUFCQSA-N 0 2 491.519 4.325 40 5 JIBBLN O=C(CSc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408989165 570093403 /nfs/dbraw/zinc/09/34/03/570093403.db2.gz HDJSEBYMMKBEIJ-UWJYYQICSA-N 0 2 469.544 4.267 40 5 JIBBLN CCCCn1nc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C ZINC000014405303 555807623 /nfs/dbraw/zinc/80/76/23/555807623.db2.gz DIRFXDWUJIOLIG-UHFFFAOYSA-N 0 2 471.539 4.261 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408565367 570203264 /nfs/dbraw/zinc/20/32/64/570203264.db2.gz JYUOUAHPCDGYBG-ZNCVFPSASA-N 0 2 493.947 4.450 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408567307 570204034 /nfs/dbraw/zinc/20/40/34/570204034.db2.gz QWTLBNCNEJIUDV-FESMNKHTSA-N 0 2 491.519 4.325 40 5 JIBBLN CCCCn1nc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1C ZINC000014405447 555807969 /nfs/dbraw/zinc/80/79/69/555807969.db2.gz BYQCOPVOMAJDOH-UHFFFAOYSA-N 0 2 471.539 4.261 40 5 JIBBLN C[C@@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574065 569764984 /nfs/dbraw/zinc/76/49/84/569764984.db2.gz RADGSAFFTXGRGW-ZOJNDGCKSA-N 0 2 457.482 4.400 40 5 JIBBLN C[C@@]1(O)CC(=O)C(=C(O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574065 569764986 /nfs/dbraw/zinc/76/49/86/569764986.db2.gz RADGSAFFTXGRGW-ZOJNDGCKSA-N 0 2 457.482 4.400 40 5 JIBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2F)[nH]1 ZINC000409324332 570201811 /nfs/dbraw/zinc/20/18/11/570201811.db2.gz SBVPIUSCHNWRFZ-FNORWQNLSA-N 0 2 462.231 4.447 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408567310 570204040 /nfs/dbraw/zinc/20/40/40/570204040.db2.gz QWTLBNCNEJIUDV-QOAWAWRESA-N 0 2 491.519 4.325 40 5 JIBBLN CCOc1c(Cl)cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408568253 570204118 /nfs/dbraw/zinc/20/41/18/570204118.db2.gz SQCUYMHTAHCKQB-XHYAQGIWSA-N 0 2 462.333 4.447 40 5 JIBBLN CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408568240 570204140 /nfs/dbraw/zinc/20/41/40/570204140.db2.gz SQCUYMHTAHCKQB-GXKRZCMTSA-N 0 2 462.333 4.447 40 5 JIBBLN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652911 569995202 /nfs/dbraw/zinc/99/52/02/569995202.db2.gz IOAHIWWUYKKLRN-TUUBTQOTSA-N 0 2 481.291 4.398 40 5 JIBBLN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408840279 570053542 /nfs/dbraw/zinc/05/35/42/570053542.db2.gz DDAVJNJDPNSVHH-ZDGAQAAHSA-N 0 2 499.523 4.072 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408565366 570203215 /nfs/dbraw/zinc/20/32/15/570203215.db2.gz JYUOUAHPCDGYBG-SQOVJYTMSA-N 0 2 493.947 4.450 40 5 JIBBLN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014270374 555762588 /nfs/dbraw/zinc/76/25/88/555762588.db2.gz KZQBNDRNJYUQLA-UHFFFAOYSA-N 0 2 455.323 4.334 40 5 JIBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc21 ZINC000033700614 569631066 /nfs/dbraw/zinc/63/10/66/569631066.db2.gz IFDYRNZWJYIFIP-ZRDIBKRKSA-N 0 2 473.441 4.325 40 5 JIBBLN O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261361532 570167288 /nfs/dbraw/zinc/16/72/88/570167288.db2.gz AAADGXCBSVWRSN-NRFANRHFSA-O 0 2 460.495 4.015 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565023 570202921 /nfs/dbraw/zinc/20/29/21/570202921.db2.gz HGIUPFAJCGLGKP-FBQMUFCQSA-N 0 2 473.529 4.105 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408565365 570203209 /nfs/dbraw/zinc/20/32/09/570203209.db2.gz JYUOUAHPCDGYBG-GJECAEJISA-N 0 2 493.947 4.450 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565613 570203467 /nfs/dbraw/zinc/20/34/67/570203467.db2.gz LNKQUYKVXIIMHU-DPQOWFAMSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565613 570203469 /nfs/dbraw/zinc/20/34/69/570203469.db2.gz LNKQUYKVXIIMHU-DPQOWFAMSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568215 570204138 /nfs/dbraw/zinc/20/41/38/570204138.db2.gz SIHRXNMGQOZLJN-XRODADMRSA-N 0 2 463.921 4.441 40 5 JIBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1 ZINC000408568996 570204282 /nfs/dbraw/zinc/20/42/82/570204282.db2.gz VNRZVZIGADVURK-RBYFDUNASA-N 0 2 485.540 4.329 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408569796 570204448 /nfs/dbraw/zinc/20/44/48/570204448.db2.gz XVPFJEJYAYAGTB-QOAWAWRESA-N 0 2 491.519 4.325 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408564858 570202914 /nfs/dbraw/zinc/20/29/14/570202914.db2.gz GCXUDFRNJHDVJD-VFHOHQAYSA-N 0 2 493.947 4.450 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565051 570203063 /nfs/dbraw/zinc/20/30/63/570203063.db2.gz HMDPRXGQFFJQPI-JKJMAWGESA-N 0 2 487.556 4.495 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408566698 570203874 /nfs/dbraw/zinc/20/38/74/570203874.db2.gz OKYFVAKWFIQCCZ-DNKZPPIMSA-N 0 2 491.519 4.325 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000032690727 556470838 /nfs/dbraw/zinc/47/08/38/556470838.db2.gz BOTVTVFBXYKSLN-WAYWQWQTSA-N 0 2 492.257 4.043 40 5 JIBBLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409313134 570199523 /nfs/dbraw/zinc/19/95/23/570199523.db2.gz HPDCCFUBQHXRBI-DUXPYHPUSA-N 0 2 467.478 4.097 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408564861 570202896 /nfs/dbraw/zinc/20/28/96/570202896.db2.gz GCXUDFRNJHDVJD-YLORPAJWSA-N 0 2 493.947 4.450 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565245 570203268 /nfs/dbraw/zinc/20/32/68/570203268.db2.gz JCUJYUOUQSTCJM-NIDLKEISSA-N 0 2 463.921 4.441 40 5 JIBBLN O=[N+]([O-])c1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000005395373 554489784 /nfs/dbraw/zinc/48/97/84/554489784.db2.gz HRYLOGYMMHKSGH-UHFFFAOYSA-N 0 2 452.242 4.220 40 5 JIBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000033404153 569625846 /nfs/dbraw/zinc/62/58/46/569625846.db2.gz BQBIDPSNHCGSFG-SOFGYWHQSA-N 0 2 461.833 4.324 40 5 JIBBLN CC(C)(C)c1ccc(OCCOc2ccccc2C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000033458749 569626665 /nfs/dbraw/zinc/62/66/65/569626665.db2.gz YPLLOTORVFOPPM-MDWZMJQESA-N 0 2 451.479 4.309 40 5 JIBBLN Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000103769211 569837893 /nfs/dbraw/zinc/83/78/93/569837893.db2.gz LKQQYCUEDOYGCC-IRLDBZIGSA-N 0 2 488.887 4.174 40 5 JIBBLN O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1Cl ZINC000409243320 570182962 /nfs/dbraw/zinc/18/29/62/570182962.db2.gz XNVGMTWVFNCMBD-MKMNVTDBSA-N 0 2 468.274 4.282 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565614 570203505 /nfs/dbraw/zinc/20/35/05/570203505.db2.gz LNKQUYKVXIIMHU-DVKBMCPXSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565614 570203506 /nfs/dbraw/zinc/20/35/06/570203506.db2.gz LNKQUYKVXIIMHU-DVKBMCPXSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565730 570203516 /nfs/dbraw/zinc/20/35/16/570203516.db2.gz LYNGNBDBJFUGOW-RZPHLTDDSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565730 570203517 /nfs/dbraw/zinc/20/35/17/570203517.db2.gz LYNGNBDBJFUGOW-RZPHLTDDSA-N 0 2 463.921 4.441 40 5 JIBBLN C[C@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574064 569764989 /nfs/dbraw/zinc/76/49/89/569764989.db2.gz RADGSAFFTXGRGW-VNAWGFGGSA-N 0 2 457.482 4.400 40 5 JIBBLN C[C@]1(O)CC(=O)C(=C(O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100574064 569764990 /nfs/dbraw/zinc/76/49/90/569764990.db2.gz RADGSAFFTXGRGW-VNAWGFGGSA-N 0 2 457.482 4.400 40 5 JIBBLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120338 556248797 /nfs/dbraw/zinc/24/87/97/556248797.db2.gz WXILAKMAWZIDIF-UHFFFAOYSA-N 0 2 479.580 4.142 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565027 570203061 /nfs/dbraw/zinc/20/30/61/570203061.db2.gz HGIUPFAJCGLGKP-FESMNKHTSA-N 0 2 473.529 4.105 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565031 570203098 /nfs/dbraw/zinc/20/30/98/570203098.db2.gz HGIUPFAJCGLGKP-QOAWAWRESA-N 0 2 473.529 4.105 40 5 JIBBLN CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565248 570203178 /nfs/dbraw/zinc/20/31/78/570203178.db2.gz JCUJYUOUQSTCJM-RZPHLTDDSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408566693 570203870 /nfs/dbraw/zinc/20/38/70/570203870.db2.gz OKYFVAKWFIQCCZ-BYGVMDBSSA-N 0 2 491.519 4.325 40 5 JIBBLN CCOc1c(Cl)cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408568245 570204165 /nfs/dbraw/zinc/20/41/65/570204165.db2.gz SQCUYMHTAHCKQB-IKLNAOFOSA-N 0 2 462.333 4.447 40 5 JIBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000409320860 570201087 /nfs/dbraw/zinc/20/10/87/570201087.db2.gz FQBNHRDEBUNEME-XVNBXDOJSA-N 0 2 489.238 4.216 40 5 JIBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408564853 570202877 /nfs/dbraw/zinc/20/28/77/570202877.db2.gz GCXUDFRNJHDVJD-LNXUECGXSA-N 0 2 493.947 4.450 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565729 570203437 /nfs/dbraw/zinc/20/34/37/570203437.db2.gz LYNGNBDBJFUGOW-NIDLKEISSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565729 570203439 /nfs/dbraw/zinc/20/34/39/570203439.db2.gz LYNGNBDBJFUGOW-NIDLKEISSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408567260 570203981 /nfs/dbraw/zinc/20/39/81/570203981.db2.gz QRBXGMYTXFTQIJ-QOAWAWRESA-N 0 2 473.529 4.186 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408569795 570204503 /nfs/dbraw/zinc/20/45/03/570204503.db2.gz XVPFJEJYAYAGTB-OICBGKIFSA-N 0 2 491.519 4.325 40 5 JIBBLN O=C(CSc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408989161 570093360 /nfs/dbraw/zinc/09/33/60/570093360.db2.gz HDJSEBYMMKBEIJ-LAUBAEHRSA-N 0 2 469.544 4.267 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565617 570203489 /nfs/dbraw/zinc/20/34/89/570203489.db2.gz LNKQUYKVXIIMHU-FMNCTDSISA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccccc2Cl)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565617 570203490 /nfs/dbraw/zinc/20/34/90/570203490.db2.gz LNKQUYKVXIIMHU-FMNCTDSISA-N 0 2 463.921 4.441 40 5 JIBBLN Cc1nc(Nc2cc(Br)ccn2)nc(Nc2cc(Br)ccn2)c1[N+](=O)[O-] ZINC000016249506 527003613 /nfs/dbraw/zinc/00/36/13/527003613.db2.gz ZIKQXUUXYKQVOJ-UHFFFAOYSA-N 0 2 481.108 4.495 40 5 JIBBLN O=C([O-])[C@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)[NH2+]1 ZINC000408987081 570092698 /nfs/dbraw/zinc/09/26/98/570092698.db2.gz AFSVFWWIFKXCDM-ABAIWWIYSA-N 0 2 464.506 4.052 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408567255 570203985 /nfs/dbraw/zinc/20/39/85/570203985.db2.gz QRBXGMYTXFTQIJ-FESMNKHTSA-N 0 2 473.529 4.186 40 5 JIBBLN O=C(CSc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408989158 570093343 /nfs/dbraw/zinc/09/33/43/570093343.db2.gz HDJSEBYMMKBEIJ-DYESRHJHSA-N 0 2 469.544 4.267 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408565053 570203041 /nfs/dbraw/zinc/20/30/41/570203041.db2.gz HMDPRXGQFFJQPI-OEQAEZTDSA-N 0 2 487.556 4.495 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565727 570203454 /nfs/dbraw/zinc/20/34/54/570203454.db2.gz LYNGNBDBJFUGOW-HFRGRHLUSA-N 0 2 463.921 4.441 40 5 JIBBLN CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565727 570203456 /nfs/dbraw/zinc/20/34/56/570203456.db2.gz LYNGNBDBJFUGOW-HFRGRHLUSA-N 0 2 463.921 4.441 40 5 JIBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408567308 570203994 /nfs/dbraw/zinc/20/39/94/570203994.db2.gz QWTLBNCNEJIUDV-OICBGKIFSA-N 0 2 491.519 4.325 40 5 JIBBLN