smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(OC(=O)C[S@@](=O)c2ccccc2[N+](=O)[O-])c1 ZINC000004387507 544420764 /nfs/dbraw/zinc/42/07/64/544420764.db2.gz MHGVIMPHYXCORW-QHCPKHFHSA-N 0 1 333.365 2.925 50 5 EFBAMN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1Cl ZINC000004181928 471461576 /nfs/dbraw/zinc/46/15/76/471461576.db2.gz WKNKJJZOWPGJEZ-UHFFFAOYSA-N 0 1 336.691 2.999 50 5 EFBAMN CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000004561325 471469847 /nfs/dbraw/zinc/46/98/47/471469847.db2.gz LPOIGVZLNWEGJG-UHFFFAOYSA-N 0 1 326.400 2.959 50 5 EFBAMN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000004935992 471479073 /nfs/dbraw/zinc/47/90/73/471479073.db2.gz USPLMMSVYKCRII-UHFFFAOYSA-N 0 1 335.316 2.566 50 5 EFBAMN Cc1ccc(-n2c(CCn3ccc([N+](=O)[O-])n3)n[nH]c2=S)c(C)c1 ZINC000006626959 471554808 /nfs/dbraw/zinc/55/48/08/471554808.db2.gz RFBFRGWAMHCGAO-UHFFFAOYSA-N 0 1 344.400 2.894 50 5 EFBAMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000004700128 210252520 /nfs/dbraw/zinc/25/25/20/210252520.db2.gz SMAFGORBZUCLDY-HNNXBMFYSA-N 0 1 329.400 2.709 50 5 EFBAMN Cc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)c1 ZINC000004676489 210244868 /nfs/dbraw/zinc/24/48/68/210244868.db2.gz QIUWQXIQVASFDA-UHFFFAOYSA-N 0 1 331.353 2.736 50 5 EFBAMN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc([N+](=O)[O-])c1O ZINC000036127408 213071406 /nfs/dbraw/zinc/07/14/06/213071406.db2.gz AVKQVEFOZCRINW-YRNVUSSQSA-N 0 1 338.341 2.755 50 5 EFBAMN Cc1c(C(=O)NC[C@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000023105506 212348281 /nfs/dbraw/zinc/34/82/81/212348281.db2.gz DOTVZMRXEDKYRS-CQSZACIVSA-N 0 1 333.413 2.997 50 5 EFBAMN COc1cc(CN(C)CCc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000019606641 212051346 /nfs/dbraw/zinc/05/13/46/212051346.db2.gz MMWFZGKXPGIQGO-UHFFFAOYSA-N 0 1 331.372 2.682 50 5 EFBAMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010329666 211163928 /nfs/dbraw/zinc/16/39/28/211163928.db2.gz GJJJVVUCUWOEJX-MRXNPFEDSA-N 0 1 331.347 2.767 50 5 EFBAMN CC(C)OC(=O)C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004819552 544420781 /nfs/dbraw/zinc/42/07/81/544420781.db2.gz INWSNHNSNKURDR-JOCHJYFZSA-N 0 1 339.291 2.673 50 5 EFBAMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccncc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000013148165 471818919 /nfs/dbraw/zinc/81/89/19/471818919.db2.gz FYEZLJRYDOERNX-UHFFFAOYSA-N 0 1 344.312 2.834 50 5 EFBAMN O=C1NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1 ZINC000018045325 471967624 /nfs/dbraw/zinc/96/76/24/471967624.db2.gz UPERXOCGCBEBOY-UHFFFAOYSA-N 0 1 327.252 2.649 50 5 EFBAMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000003947410 210094398 /nfs/dbraw/zinc/09/43/98/210094398.db2.gz UEOWDZALSKFUNI-UHFFFAOYSA-N 0 1 337.313 2.612 50 5 EFBAMN CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004993677 210353141 /nfs/dbraw/zinc/35/31/41/210353141.db2.gz JOUSBFZAXJFDKA-UHFFFAOYSA-N 0 1 330.182 2.638 50 5 EFBAMN O=[N+]([O-])c1ccc(O)c(CSc2nnnn2-c2ccccc2)c1 ZINC000034772752 471991954 /nfs/dbraw/zinc/99/19/54/471991954.db2.gz RTRMUAMTMGCKOT-UHFFFAOYSA-N 0 1 329.341 2.568 50 5 EFBAMN O=[N+]([O-])c1ccc(CSC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000009708797 201785834 /nfs/dbraw/zinc/78/58/34/201785834.db2.gz WSXQKFLLOVBBMX-UHFFFAOYSA-N 0 1 349.393 2.998 50 5 EFBAMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000000255563 206221938 /nfs/dbraw/zinc/22/19/38/206221938.db2.gz VDYXERQQRKUAJZ-UHFFFAOYSA-N 0 1 326.305 2.543 50 5 EFBAMN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCNCC1 ZINC000002558525 284778706 /nfs/dbraw/zinc/77/87/06/284778706.db2.gz YSSCJSZEFBLRIZ-UHFFFAOYSA-N 0 1 325.777 2.508 50 5 EFBAMN N[C@H](CSCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004284647 471463185 /nfs/dbraw/zinc/46/31/85/471463185.db2.gz HOZQMLJHNCMSRC-OAHLLOKOSA-N 0 1 331.397 2.794 50 5 EFBAMN CN1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000005068242 471485518 /nfs/dbraw/zinc/48/55/18/471485518.db2.gz DYAMYSSTASMFAO-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000006432337 471546198 /nfs/dbraw/zinc/54/61/98/471546198.db2.gz QYFALATWQFESRB-OAHLLOKOSA-N 0 1 329.356 2.755 50 5 EFBAMN CCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000013843347 471843846 /nfs/dbraw/zinc/84/38/46/471843846.db2.gz MXWOTKILICIDLY-UHFFFAOYSA-N 0 1 329.312 2.901 50 5 EFBAMN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000003878497 210082219 /nfs/dbraw/zinc/08/22/19/210082219.db2.gz VPQFHIOTRDEXDO-RMKNXTFCSA-N 0 1 343.364 2.827 50 5 EFBAMN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1O ZINC000004755250 210271817 /nfs/dbraw/zinc/27/18/17/210271817.db2.gz XLIIDEAFONGZGT-UHFFFAOYSA-N 0 1 344.352 2.908 50 5 EFBAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2NC(=O)NC2=O)o1 ZINC000000073165 471319986 /nfs/dbraw/zinc/31/99/86/471319986.db2.gz FLANMRDBWBBVOK-YRNVUSSQSA-N 0 1 329.268 2.884 50 5 EFBAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000006084453 471531125 /nfs/dbraw/zinc/53/11/25/471531125.db2.gz LUCLEYCHVOTYQY-UHFFFAOYSA-N 0 1 341.352 2.750 50 5 EFBAMN CC1=NC(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC(C)(C)C ZINC000000549454 471370437 /nfs/dbraw/zinc/37/04/37/471370437.db2.gz SXHFBGGTGKKSSU-ZDUSSCGKSA-N 0 1 349.412 2.729 50 5 EFBAMN CCC([N+](=O)[O-])[C@@]1(O)c2ccccc2N(Cc2ccccc2F)C1=O ZINC000005353201 471500851 /nfs/dbraw/zinc/50/08/51/471500851.db2.gz GVBQYRYCIQUMMC-WMZOPIPTSA-N 0 1 344.342 2.615 50 5 EFBAMN CCn1cnc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000005451118 471505757 /nfs/dbraw/zinc/50/57/57/471505757.db2.gz UKEBJRRFYPZXSM-UHFFFAOYSA-N 0 1 346.368 2.765 50 5 EFBAMN O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccncc1 ZINC000013212138 471821228 /nfs/dbraw/zinc/82/12/28/471821228.db2.gz VRDPYCAXPHNEKZ-UHFFFAOYSA-N 0 1 344.714 2.717 50 5 EFBAMN CCc1nc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000004697989 210251433 /nfs/dbraw/zinc/25/14/33/210251433.db2.gz SYPPPUUQFOCOHL-UHFFFAOYSA-N 0 1 335.389 2.623 50 5 EFBAMN CCc1n[nH]c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1 ZINC000004697989 210251439 /nfs/dbraw/zinc/25/14/39/210251439.db2.gz SYPPPUUQFOCOHL-UHFFFAOYSA-N 0 1 335.389 2.623 50 5 EFBAMN CCCCCn1ccc2cc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O ZINC000095115663 218282259 /nfs/dbraw/zinc/28/22/59/218282259.db2.gz ZDUGVRFSMIRSBP-UHFFFAOYSA-N 0 1 349.394 2.614 50 5 EFBAMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000007125879 258052613 /nfs/dbraw/zinc/05/26/13/258052613.db2.gz YFXZWXMNJNMRAL-ZDUSSCGKSA-N 0 1 342.746 2.694 50 5 EFBAMN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000000556335 471370932 /nfs/dbraw/zinc/37/09/32/471370932.db2.gz MYXGDMIYNUPAKV-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN N=C1Nc2nc3ccccc3n2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000004741643 471474223 /nfs/dbraw/zinc/47/42/23/471474223.db2.gz PKNLRTKXEJBUNZ-CYBMUJFWSA-N 0 1 342.746 2.885 50 5 EFBAMN CCC([N+](=O)[O-])[C@@]1(O)c2ccccc2N(Cc2ccccc2F)C1=O ZINC000005353208 471501421 /nfs/dbraw/zinc/50/14/21/471501421.db2.gz GVBQYRYCIQUMMC-AEFFLSMTSA-N 0 1 344.342 2.615 50 5 EFBAMN O=C(/C=C\c1cccs1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000016133978 471927060 /nfs/dbraw/zinc/92/70/60/471927060.db2.gz GUIMFLJOFXLEBK-XQRVVYSFSA-N 0 1 349.393 2.888 50 5 EFBAMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000013322775 201889758 /nfs/dbraw/zinc/88/97/58/201889758.db2.gz SLKPPZLLFZJNOU-UHFFFAOYSA-N 0 1 348.403 2.696 50 5 EFBAMN O=[N+]([O-])c1cccc(OCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000004832350 471476928 /nfs/dbraw/zinc/47/69/28/471476928.db2.gz KXDBZZVWAKXDGI-UHFFFAOYSA-N 0 1 341.411 2.791 50 5 EFBAMN CCC([N+](=O)[O-])[C@]1(O)c2ccccc2N(Cc2ccccc2F)C1=O ZINC000005353193 471501250 /nfs/dbraw/zinc/50/12/50/471501250.db2.gz GVBQYRYCIQUMMC-SJLPKXTDSA-N 0 1 344.342 2.615 50 5 EFBAMN N=C1Nc2nc3ccccc3n2[C@H](C=Cc2ccccc2[N+](=O)[O-])N1 ZINC000007125752 471593989 /nfs/dbraw/zinc/59/39/89/471593989.db2.gz XVQKEEYXNARBLX-BOLDSZDNSA-N 0 1 334.339 2.706 50 5 EFBAMN O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000016133977 471926407 /nfs/dbraw/zinc/92/64/07/471926407.db2.gz VPQFHIOTRDEXDO-TWGQIWQCSA-N 0 1 343.364 2.827 50 5 EFBAMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000007125872 258052911 /nfs/dbraw/zinc/05/29/11/258052911.db2.gz YFXZWXMNJNMRAL-CYBMUJFWSA-N 0 1 342.746 2.694 50 5 EFBAMN CC(C)OC(=O)C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004819551 544420742 /nfs/dbraw/zinc/42/07/42/544420742.db2.gz INWSNHNSNKURDR-QFIPXVFZSA-N 0 1 339.291 2.673 50 5 EFBAMN Cc1n[nH]c(Nc2ccc(I)cc2)c1[N+](=O)[O-] ZINC000004321172 280191864 /nfs/dbraw/zinc/19/18/64/280191864.db2.gz UPAKAFUGYAYBQW-UHFFFAOYSA-N 0 1 344.112 2.975 50 5 EFBAMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000000285086 471343218 /nfs/dbraw/zinc/34/32/18/471343218.db2.gz SMAFGORBZUCLDY-OAHLLOKOSA-N 0 1 329.400 2.709 50 5 EFBAMN CC1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000000285157 471343658 /nfs/dbraw/zinc/34/36/58/471343658.db2.gz PTGGZJGVOHWIJH-UHFFFAOYSA-N 0 1 331.416 2.931 50 5 EFBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 ZINC000000371769 471351779 /nfs/dbraw/zinc/35/17/79/471351779.db2.gz LKRHMKMFRULZMI-UHFFFAOYSA-N 0 1 329.337 2.944 50 5 EFBAMN CN1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 ZINC000004575590 471469725 /nfs/dbraw/zinc/46/97/25/471469725.db2.gz PCXLBFJAJPIVSE-UHFFFAOYSA-N 0 1 330.413 2.893 50 5 EFBAMN O=[N+]([O-])c1cccc(CSC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000004329624 210171367 /nfs/dbraw/zinc/17/13/67/210171367.db2.gz CNJNATQWWSRFRE-UHFFFAOYSA-N 0 1 349.393 2.998 50 5 EFBAMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000003893877 210084859 /nfs/dbraw/zinc/08/48/59/210084859.db2.gz OQTNPWPOSIRTET-UHFFFAOYSA-N 0 1 334.353 2.907 50 5 EFBAMN O=C([C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000005071515 210382899 /nfs/dbraw/zinc/38/28/99/210382899.db2.gz LGPRSVNKQQCVHY-MRXNPFEDSA-N 0 1 331.416 2.819 50 5 EFBAMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001602976 471393721 /nfs/dbraw/zinc/39/37/21/471393721.db2.gz RTZPAZZTEDUMKK-UHFFFAOYSA-N 0 1 337.313 2.612 50 5 EFBAMN Cc1ccc(C)c(-n2c(CCn3ccc([N+](=O)[O-])n3)n[nH]c2=S)c1 ZINC000006912383 471578637 /nfs/dbraw/zinc/57/86/37/471578637.db2.gz UWGODXITETYNAU-UHFFFAOYSA-N 0 1 344.400 2.894 50 5 EFBAMN CCCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000013322655 471824746 /nfs/dbraw/zinc/82/47/46/471824746.db2.gz AKVDESAGIUWGPD-UHFFFAOYSA-N 0 1 336.392 2.553 50 5 EFBAMN N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004521200 210213977 /nfs/dbraw/zinc/21/39/77/210213977.db2.gz HOZQMLJHNCMSRC-HNNXBMFYSA-N 0 1 331.397 2.794 50 5 EFBAMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019609083 212051539 /nfs/dbraw/zinc/05/15/39/212051539.db2.gz MNFAGPWYBNXTMM-UHFFFAOYSA-N 0 1 327.384 2.618 50 5 EFBAMN O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Br)o1 ZINC000005065654 284317102 /nfs/dbraw/zinc/31/71/02/284317102.db2.gz VWPYJWLIQWALPA-UHFFFAOYSA-N 0 1 327.090 2.908 50 5 EFBAMN Cc1nc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000009187520 211047943 /nfs/dbraw/zinc/04/79/43/211047943.db2.gz FVTLAUQRGQRRSR-UHFFFAOYSA-N 0 1 343.368 2.905 50 5 EFBAMN O=C([C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000005071514 210383935 /nfs/dbraw/zinc/38/39/35/210383935.db2.gz LGPRSVNKQQCVHY-INIZCTEOSA-N 0 1 331.416 2.819 50 5 EFBAMN CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)CC1 ZINC000000318493 273900521 /nfs/dbraw/zinc/90/05/21/273900521.db2.gz ATMSDVKAEIDKQO-UHFFFAOYSA-N 0 1 349.394 2.957 50 5 EFBAMN COc1cc(CN2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1O ZINC000003879206 471456071 /nfs/dbraw/zinc/45/60/71/471456071.db2.gz PEDYYYBJKXTZER-UHFFFAOYSA-N 0 1 343.383 2.631 50 5 EFBAMN CN1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)CC1 ZINC000004860294 471477899 /nfs/dbraw/zinc/47/78/99/471477899.db2.gz IEIJJYXPXGFJHX-UHFFFAOYSA-N 0 1 349.394 2.957 50 5 EFBAMN CN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000004983754 471481753 /nfs/dbraw/zinc/48/17/53/471481753.db2.gz JNZYNIBGVVFRPS-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN CN1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000005050678 471484209 /nfs/dbraw/zinc/48/42/09/471484209.db2.gz KVSLWVVJTUCSMP-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN CC(=O)c1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004016548 544420604 /nfs/dbraw/zinc/42/06/04/544420604.db2.gz BDDCSNOTPKSANT-UHFFFAOYSA-N 0 1 343.255 2.985 50 5 EFBAMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000004741644 295210266 /nfs/dbraw/zinc/21/02/66/295210266.db2.gz PKNLRTKXEJBUNZ-ZDUSSCGKSA-N 0 1 342.746 2.885 50 5 EFBAMN CN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004748772 471473812 /nfs/dbraw/zinc/47/38/12/471473812.db2.gz TVRQRQUJLFNZHF-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN CCN(CC)CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000004986514 471481783 /nfs/dbraw/zinc/48/17/83/471481783.db2.gz IREDVDPOTNGHLJ-UHFFFAOYSA-N 0 1 330.182 2.638 50 5 EFBAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000006432344 471545750 /nfs/dbraw/zinc/54/57/50/471545750.db2.gz QYFALATWQFESRB-HNNXBMFYSA-N 0 1 329.356 2.755 50 5 EFBAMN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)cc1 ZINC000004329955 210173243 /nfs/dbraw/zinc/17/32/43/210173243.db2.gz SGWYTEAPYSAXJN-UHFFFAOYSA-N 0 1 346.324 2.967 50 5 EFBAMN COc1ccccc1Nc1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004017569 210101907 /nfs/dbraw/zinc/10/19/07/210101907.db2.gz XYTRBVAZSKYGBX-UHFFFAOYSA-N 0 1 331.244 2.791 50 5 EFBAMN Cc1c(C(=O)NC[C@@H](c2cccs2)N(C)C)cccc1[N+](=O)[O-] ZINC000023105503 212348544 /nfs/dbraw/zinc/34/85/44/212348544.db2.gz DOTVZMRXEDKYRS-AWEZNQCLSA-N 0 1 333.413 2.997 50 5 EFBAMN CN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000000515011 135651661 /nfs/dbraw/zinc/65/16/61/135651661.db2.gz ONBQBENKFHVSSD-UHFFFAOYSA-N 0 1 340.383 2.599 50 5 EFBAMN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000000193876 471333221 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N=C1Nc2nc3ccccc3n2[C@@H](C=Cc2ccccc2[N+](=O)[O-])N1 ZINC000007125760 272961054 /nfs/dbraw/zinc/96/10/54/272961054.db2.gz XVQKEEYXNARBLX-FEAKQIBJSA-N 0 1 334.339 2.706 50 5 EFBAMN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000000193878 471333811 /nfs/dbraw/zinc/33/38/11/471333811.db2.gz CSPYARXGGMTLRL-AWEZNQCLSA-N 0 1 349.412 2.587 50 5 EFBAMN O=C(CSc1nc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000006084449 471531159 /nfs/dbraw/zinc/53/11/59/471531159.db2.gz UZECJJMBCVKZRZ-UHFFFAOYSA-N 0 1 330.325 2.948 50 5 EFBAMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010329656 211163880 /nfs/dbraw/zinc/16/38/80/211163880.db2.gz GJJJVVUCUWOEJX-INIZCTEOSA-N 0 1 331.347 2.767 50 5 EFBAMN O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1cccnc1 ZINC000013212141 471821217 /nfs/dbraw/zinc/82/12/17/471821217.db2.gz KMURYGRKQIUZRD-UHFFFAOYSA-N 0 1 344.714 2.717 50 5 EFBAMN