smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c2nc3ccccc3nc2n(CCOC)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000003191458 194236999 /nfs/dbraw/zinc/23/69/99/194236999.db2.gz UJTTVINTBIWXKA-UHFFFAOYSA-N -1 3 453.411 3.161 50 5 JGBAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000009960654 195039181 /nfs/dbraw/zinc/03/91/81/195039181.db2.gz ZYBWFPYGQUHXSU-IBDYFIJFSA-N -1 3 476.507 3.119 50 5 JGBAHM Cc1c(C(N)=O)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000096279258 130022714 /nfs/dbraw/zinc/02/27/14/130022714.db2.gz DCOHSSHJQUIWSN-UHFFFAOYSA-N -1 3 491.913 3.074 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000009069500 554886242 /nfs/dbraw/zinc/88/62/42/554886242.db2.gz IXBAPRHXVWSYRR-FPOVZHCZSA-N -1 3 457.402 3.286 50 5 JGBAHM O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000020235456 555727999 /nfs/dbraw/zinc/72/79/99/555727999.db2.gz AIBIRFRKTAXTCX-SFHVURJKSA-N -1 3 483.531 3.128 50 5 JGBAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(N2CCOCC2)n1 ZINC000015838406 556021858 /nfs/dbraw/zinc/02/18/58/556021858.db2.gz VBQJJFSPANWYPW-UHFFFAOYSA-N -1 3 470.511 3.074 50 5 JGBAHM COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018045383 556279874 /nfs/dbraw/zinc/27/98/74/556279874.db2.gz HRZYQCWAWVJHII-VSKRKVRLSA-N -1 3 473.441 3.433 50 5 JGBAHM COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102709150 569816760 /nfs/dbraw/zinc/81/67/60/569816760.db2.gz HRZYQCWAWVJHII-YPAWHYETSA-N -1 3 473.441 3.433 50 5 JGBAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000102743379 569819487 /nfs/dbraw/zinc/81/94/87/569819487.db2.gz CKVUZFWTUJPATH-HBMCJLEFSA-N -1 3 459.414 3.344 50 5 JGBAHM O=C([N-]N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000003044986 194216364 /nfs/dbraw/zinc/21/63/64/194216364.db2.gz BKGUIQSVABWQQO-UHFFFAOYSA-N -1 3 485.206 3.360 50 5 JGBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1CC ZINC000096203551 129986974 /nfs/dbraw/zinc/98/69/74/129986974.db2.gz TWOPGILBDKDAQE-ZDUSSCGKSA-N -1 3 467.548 3.127 50 5 JGBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000096278834 130021393 /nfs/dbraw/zinc/02/13/93/130021393.db2.gz DQWOMEXRWCPUPA-UHFFFAOYSA-N -1 3 489.485 3.261 50 5 JGBAHM O=C(CSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccc2c(c1)OCO2 ZINC000008822908 554710715 /nfs/dbraw/zinc/71/07/15/554710715.db2.gz JUKNKNHUEGPNAB-UHFFFAOYSA-N -1 3 459.465 3.158 50 5 JGBAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000009382010 555145732 /nfs/dbraw/zinc/14/57/32/555145732.db2.gz IVQPIGCQZIZCSK-UHFFFAOYSA-N -1 3 464.507 3.052 50 5 JGBAHM O=[N+]([O-])c1ccc([N-]c2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1 ZINC000009520012 555318668 /nfs/dbraw/zinc/31/86/68/555318668.db2.gz TVCUWZGXFGQVOB-UHFFFAOYSA-N -1 3 468.314 3.232 50 5 JGBAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000014528465 555816691 /nfs/dbraw/zinc/81/66/91/555816691.db2.gz UYCGHXNXMXDSEC-UHFFFAOYSA-N -1 3 458.540 3.061 50 5 JGBAHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1ccc(COCC(F)(F)F)cc1)OCCCO2 ZINC000032895831 556525657 /nfs/dbraw/zinc/52/56/57/556525657.db2.gz IPKNPQPHHFIMHH-UHFFFAOYSA-N -1 3 476.429 3.314 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCO2 ZINC000103602683 569836671 /nfs/dbraw/zinc/83/66/71/569836671.db2.gz BLLWKUZDXPENLR-RBBKRZOGSA-N -1 3 456.414 3.106 50 5 JGBAHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000002922396 194169633 /nfs/dbraw/zinc/16/96/33/194169633.db2.gz XZDRWFGIVJETQM-ZDUSSCGKSA-N -1 3 499.549 3.337 50 5 JGBAHM CCOC(=O)c1c([N-]C(=O)COC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])oc(C)c1C(C)=O ZINC000019356229 521409114 /nfs/dbraw/zinc/40/91/14/521409114.db2.gz DJMDFQGEFIYUFM-UHFFFAOYSA-N -1 3 492.437 3.078 50 5 JGBAHM O=C(Nc1nccc(-c2ccc(OC(F)F)cc2)n1)c1n[n-]c([N+](=O)[O-])c1Br ZINC000008782512 554679618 /nfs/dbraw/zinc/67/96/18/554679618.db2.gz XUKLAVJOTRPPJX-UHFFFAOYSA-N -1 3 455.175 3.391 50 5 JGBAHM O=C(Nc1nccc(-c2ccc(OC(F)F)cc2)n1)c1[n-]nc([N+](=O)[O-])c1Br ZINC000008782512 554679620 /nfs/dbraw/zinc/67/96/20/554679620.db2.gz XUKLAVJOTRPPJX-UHFFFAOYSA-N -1 3 455.175 3.391 50 5 JGBAHM O=c1cc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000009382097 555146159 /nfs/dbraw/zinc/14/61/59/555146159.db2.gz OEDIJNBVLNOPTP-UHFFFAOYSA-N -1 3 470.898 3.089 50 5 JGBAHM COc1ccc(S(=O)(=O)CCc2nnc([N-]C(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000015837765 556021256 /nfs/dbraw/zinc/02/12/56/556021256.db2.gz ODXLZNYFLQURBA-UHFFFAOYSA-N -1 3 462.509 3.032 50 5 JGBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1O ZINC000018120880 556290303 /nfs/dbraw/zinc/29/03/03/556290303.db2.gz AAXSHIZYBXAEFI-VSKRKVRLSA-N -1 3 461.430 3.360 50 5 JGBAHM CCn1nc(C(=O)N2CCCC2)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000096203570 129987327 /nfs/dbraw/zinc/98/73/27/129987327.db2.gz DKQFUJPDQHHOAV-UHFFFAOYSA-N -1 3 479.559 3.225 50 5 JGBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000674401 553748143 /nfs/dbraw/zinc/74/81/43/553748143.db2.gz HWTGRSZOQOGTSU-UHFFFAOYSA-N -1 3 457.464 3.422 50 5 JGBAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000009281311 555050588 /nfs/dbraw/zinc/05/05/88/555050588.db2.gz CKVUZFWTUJPATH-NJDAHSKKSA-N -1 3 459.414 3.344 50 5 JGBAHM COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(I)c1[O-] ZINC000016662892 556149719 /nfs/dbraw/zinc/14/97/19/556149719.db2.gz UIMWRJAKHOESNA-UHFFFAOYSA-N -1 3 469.279 3.236 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCO2 ZINC000100884651 569774139 /nfs/dbraw/zinc/77/41/39/569774139.db2.gz BLLWKUZDXPENLR-IRLDBZIGSA-N -1 3 456.414 3.106 50 5 JGBAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000020664469 195197541 /nfs/dbraw/zinc/19/75/41/195197541.db2.gz NGPURLZEVYBFHQ-UHFFFAOYSA-N -1 3 486.897 3.410 50 5 JGBAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000020664469 195197542 /nfs/dbraw/zinc/19/75/42/195197542.db2.gz NGPURLZEVYBFHQ-UHFFFAOYSA-N -1 3 486.897 3.410 50 5 JGBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1CC ZINC000096203541 129986874 /nfs/dbraw/zinc/98/68/74/129986874.db2.gz MEXCXBBDKNYHIO-AWEZNQCLSA-N -1 3 481.575 3.375 50 5 JGBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)Nc2ccc(F)cc2)nn1C ZINC000096278822 535179623 /nfs/dbraw/zinc/17/96/23/535179623.db2.gz GUXWQIUDYPSRIA-UHFFFAOYSA-N -1 3 477.474 3.200 50 5 JGBAHM O=C([O-])C1CCN(Cc2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC000008763258 554663287 /nfs/dbraw/zinc/66/32/87/554663287.db2.gz LMAZDGVWYZFTIG-UHFFFAOYSA-N -1 3 482.581 3.483 50 5 JGBAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccsc1 ZINC000025331533 556209351 /nfs/dbraw/zinc/20/93/51/556209351.db2.gz DSQCZYALLNTYMD-FQEVSTJZSA-N -1 3 474.564 3.490 50 5 JGBAHM Cc1c(C(=O)NCc2ccco2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000096203520 569737530 /nfs/dbraw/zinc/73/75/30/569737530.db2.gz CAPXMWLAXSGPMK-UHFFFAOYSA-N -1 3 491.526 3.029 50 5 JGBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1ccccc1 ZINC000096203703 569737748 /nfs/dbraw/zinc/73/77/48/569737748.db2.gz OKADAKBNYHXBFS-UHFFFAOYSA-N -1 3 499.549 3.462 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000103602208 569836574 /nfs/dbraw/zinc/83/65/74/569836574.db2.gz QYAVYCDACQDGJW-FYYLOGMGSA-N -1 3 470.441 3.149 50 5 JGBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000226939092 570039453 /nfs/dbraw/zinc/03/94/53/570039453.db2.gz NATCCOPVGBHQHE-PCCBWWKXSA-N -1 3 459.414 3.344 50 5 JGBAHM Cc1c(C(=O)NC2CC2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000096279054 130022125 /nfs/dbraw/zinc/02/21/25/130022125.db2.gz WZWHTCXZUCISJG-UHFFFAOYSA-N -1 3 499.549 3.460 50 5 JGBAHM O=C(c1cccc(Cl)c1)N1CCC(c2nc3c(nnn3Cc3ccc([N+](=O)[O-])cc3)c(=O)[n-]2)CC1 ZINC000020444569 526758618 /nfs/dbraw/zinc/75/86/18/526758618.db2.gz RCPAJTNYULBOST-UHFFFAOYSA-N -1 3 493.911 3.144 50 5 JGBAHM Cc1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000002868655 554393911 /nfs/dbraw/zinc/39/39/11/554393911.db2.gz YNAKBKOZGXFCJE-UHFFFAOYSA-N -1 3 468.487 3.156 50 5 JGBAHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1=O ZINC000009591945 555406039 /nfs/dbraw/zinc/40/60/39/555406039.db2.gz BOSGVJLHULXSMZ-XMMPIXPASA-N -1 3 465.510 3.333 50 5 JGBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(O)cc1 ZINC000013770293 555614323 /nfs/dbraw/zinc/61/43/23/555614323.db2.gz HTIGCRRTALNJER-QHAWAJNXSA-N -1 3 476.401 3.260 50 5 JGBAHM CCCN(C)C(=O)c1nn(CC)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000096203538 569737518 /nfs/dbraw/zinc/73/75/18/569737518.db2.gz CZXYFKJGDKDUCI-UHFFFAOYSA-N -1 3 467.548 3.081 50 5 JGBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1CC ZINC000096203545 569737592 /nfs/dbraw/zinc/73/75/92/569737592.db2.gz BUPINDPJIXWSDB-AWEZNQCLSA-N -1 3 479.559 3.225 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000100892779 569774523 /nfs/dbraw/zinc/77/45/23/569774523.db2.gz QYAVYCDACQDGJW-GGAORHGYSA-N -1 3 470.441 3.149 50 5 JGBAHM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100961662 569777917 /nfs/dbraw/zinc/77/79/17/569777917.db2.gz HRZYQCWAWVJHII-BDTNDASRSA-N -1 3 473.441 3.433 50 5 JGBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000102710223 569816823 /nfs/dbraw/zinc/81/68/23/569816823.db2.gz NATCCOPVGBHQHE-PWRODBHTSA-N -1 3 459.414 3.344 50 5 JGBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H](O)COCC(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000040122885 569816833 /nfs/dbraw/zinc/81/68/33/569816833.db2.gz NQADJSPANXAOKG-QGZVFWFLSA-N -1 3 451.545 3.458 50 5 JGBAHM COc1ccnc(N2CCN(c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[N+](=O)[O-])CC2)n1 ZINC000040155601 569820870 /nfs/dbraw/zinc/82/08/70/569820870.db2.gz KDULBGVEVGXPIU-UHFFFAOYSA-N -1 3 498.565 3.138 50 5 JGBAHM CCOC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C ZINC000001940194 194156272 /nfs/dbraw/zinc/15/62/72/194156272.db2.gz CJMKTTHKDBKFDC-UHFFFAOYSA-N -1 3 451.413 3.479 50 5 JGBAHM O=C(c1ccccc1Cl)N1CCC(c2nc3c(nnn3Cc3ccc([N+](=O)[O-])cc3)c(=O)[n-]2)CC1 ZINC000020444592 526802049 /nfs/dbraw/zinc/80/20/49/526802049.db2.gz DXCDMAPLGAFAGI-UHFFFAOYSA-N -1 3 493.911 3.144 50 5 JGBAHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000002079003 554025565 /nfs/dbraw/zinc/02/55/65/554025565.db2.gz ARVUVKXUPXUKNV-UHFFFAOYSA-N -1 3 497.352 3.478 50 5 JGBAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)N1 ZINC000013958081 555661788 /nfs/dbraw/zinc/66/17/88/555661788.db2.gz YBUILCGIHSEOCU-OAHLLOKOSA-N -1 3 476.209 3.075 50 5 JGBAHM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000020565384 555820237 /nfs/dbraw/zinc/82/02/37/555820237.db2.gz PHIUVIDQNUAGGF-UHFFFAOYSA-N -1 3 467.916 3.173 50 5 JGBAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000016043470 556122810 /nfs/dbraw/zinc/12/28/10/556122810.db2.gz NNRZAFGEVBPOIT-UHFFFAOYSA-N -1 3 469.903 3.121 50 5 JGBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2c(c1)OCO2 ZINC000103602675 569836642 /nfs/dbraw/zinc/83/66/42/569836642.db2.gz BLLWKUZDXPENLR-IFMALSPDSA-N -1 3 456.414 3.106 50 5 JGBAHM O=C(CSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccc2c(c1)OCCO2 ZINC000009600092 194801376 /nfs/dbraw/zinc/80/13/76/194801376.db2.gz KSMHNGGWNMRZMQ-UHFFFAOYSA-N -1 3 473.492 3.201 50 5 JGBAHM CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000014943768 523930845 /nfs/dbraw/zinc/93/08/45/523930845.db2.gz COZVZLVOMBYYJR-AVRDEDQJSA-N -1 3 469.885 3.034 50 5 JGBAHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000002913099 527534928 /nfs/dbraw/zinc/53/49/28/527534928.db2.gz OTXVHXOGKGHPJB-UHFFFAOYSA-N -1 3 452.901 3.368 50 5 JGBAHM COC(=O)c1c([N-]C(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCC2 ZINC000008782542 554679662 /nfs/dbraw/zinc/67/96/62/554679662.db2.gz ZPESKPPPZPCRCH-UHFFFAOYSA-N -1 3 459.484 3.342 50 5 JGBAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000009382008 555145715 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JGBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)Nc2cccc(C)c2)nn1C ZINC000096203484 535179118 /nfs/dbraw/zinc/17/91/18/535179118.db2.gz RQOMVSPINHDMAE-UHFFFAOYSA-N -1 3 473.511 3.370 50 5 JGBAHM COc1cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002807111 554357403 /nfs/dbraw/zinc/35/74/03/554357403.db2.gz RKETYBZHJWTOAZ-UHFFFAOYSA-N -1 3 450.860 3.075 50 5 JGBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000009316322 555091672 /nfs/dbraw/zinc/09/16/72/555091672.db2.gz NATCCOPVGBHQHE-QHAWAJNXSA-N -1 3 459.414 3.344 50 5 JGBAHM CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000016956679 556187550 /nfs/dbraw/zinc/18/75/50/556187550.db2.gz UZDODSAFDFBGJD-CVDCTZTESA-N -1 3 483.912 3.425 50 5 JGBAHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccsc1 ZINC000025331534 556209488 /nfs/dbraw/zinc/20/94/88/556209488.db2.gz DSQCZYALLNTYMD-HXUWFJFHSA-N -1 3 474.564 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