smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3)c([O-])c2)cc1 ZINC000018163900 209234361 /nfs/dbraw/zinc/23/43/61/209234361.db2.gz UOXITPNOGQRKSD-UHFFFAOYSA-N -1 3 387.395 4.937 50 5 GJBAHM O=C([N-]c1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830419 570383791 /nfs/dbraw/zinc/38/37/91/570383791.db2.gz QHMORIDZRJHGLG-UHFFFAOYSA-N -1 3 383.747 4.902 50 5 GJBAHM Cc1sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C ZINC000001115279 570753767 /nfs/dbraw/zinc/75/37/67/570753767.db2.gz XGMWNBWHHCEOEQ-UHFFFAOYSA-N -1 3 396.852 4.744 50 5 GJBAHM Cc1ccc(C)c(OCc2ccc(C(=O)[N-]c3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000005793827 204152011 /nfs/dbraw/zinc/15/20/11/204152011.db2.gz OOVLAZIVWPJCOE-UHFFFAOYSA-N -1 3 380.400 4.944 50 5 GJBAHM O=c1[n-]c(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2sc3c(c21)CCCC3 ZINC000005728974 570903577 /nfs/dbraw/zinc/90/35/77/570903577.db2.gz SLDGEAPFEPXCJL-UHFFFAOYSA-N -1 3 393.424 4.699 50 5 GJBAHM O=C([N-]c1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000005172173 204116997 /nfs/dbraw/zinc/11/69/97/204116997.db2.gz WQSVBICHRSIIPN-UHFFFAOYSA-N -1 3 383.747 4.902 50 5 GJBAHM CCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[n-]c(=O)c2s1 ZINC000036612853 570757311 /nfs/dbraw/zinc/75/73/11/570757311.db2.gz ZYVVBBSOEWFSRU-UHFFFAOYSA-N -1 3 384.408 4.507 50 5 GJBAHM CSc1ccccc1[N-]C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000001002092 209287525 /nfs/dbraw/zinc/28/75/25/209287525.db2.gz VTTWSJSEVZLQGC-UHFFFAOYSA-N -1 3 384.413 4.741 50 5 GJBAHM Cc1cccc2c([O-])c3c(=O)cc(OCC(=O)c4ccc(Cl)cc4)cc-3oc12 ZINC000005205398 570507332 /nfs/dbraw/zinc/50/73/32/570507332.db2.gz IEIWZGBOWUOBFE-UHFFFAOYSA-N -1 3 394.810 4.875 50 5 GJBAHM Cc1cccc2c(=O)c3c([O-])cc(OCC(=O)c4ccc(Cl)cc4)cc3oc12 ZINC000005205398 570507333 /nfs/dbraw/zinc/50/73/33/570507333.db2.gz IEIWZGBOWUOBFE-UHFFFAOYSA-N -1 3 394.810 4.875 50 5 GJBAHM O=C([N-]c1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1nc2ccccc2s1 ZINC000004167575 570621069 /nfs/dbraw/zinc/62/10/69/570621069.db2.gz UNBGPJWCZSIXKH-UHFFFAOYSA-N -1 3 388.455 4.642 50 5 GJBAHM COc1ccccc1-c1csc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000004072652 570929884 /nfs/dbraw/zinc/92/98/84/570929884.db2.gz ZKRAYHHMMQCOSJ-UHFFFAOYSA-N -1 3 389.820 4.633 50 5 GJBAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207857 210207238 /nfs/dbraw/zinc/20/72/38/210207238.db2.gz ZMUJSQUPWBKHBQ-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207857 210207240 /nfs/dbraw/zinc/20/72/40/210207240.db2.gz ZMUJSQUPWBKHBQ-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C([N-]c1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830420 209270821 /nfs/dbraw/zinc/27/08/21/209270821.db2.gz VBTPEIVUODJGRO-UHFFFAOYSA-N -1 3 383.747 4.902 50 5 GJBAHM Cc1cc(C(F)F)nc2sc3c4nc(NC(C)C)sc4c(=O)[n-]c3c21 ZINC000020607318 210352001 /nfs/dbraw/zinc/35/20/01/210352001.db2.gz JMTUBOFVEZCSRS-UHFFFAOYSA-N -1 3 380.445 4.814 50 5 GJBAHM CCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[n-]c(=O)c2s1 ZINC000020607481 570271313 /nfs/dbraw/zinc/27/13/13/570271313.db2.gz XDMSXZUXLRARII-UHFFFAOYSA-N -1 3 392.456 4.994 50 5 GJBAHM CCOc1ccc2nc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 ZINC000004072626 570929854 /nfs/dbraw/zinc/92/98/54/570929854.db2.gz ZOUBTSUFEQXTRD-UHFFFAOYSA-N -1 3 377.809 4.509 50 5 GJBAHM COc1ccc(-c2ccc(C(=O)[N-]c3ccccc3SC)o2)c([N+](=O)[O-])c1 ZINC000005034598 204105945 /nfs/dbraw/zinc/10/59/45/204105945.db2.gz XNVCWDWMOMLDLR-UHFFFAOYSA-N -1 3 384.413 4.838 50 5 GJBAHM O=c1cc(OCc2ccc([N+](=O)[O-])cc2)cc2oc3ccc(Cl)cc3c([O-])c1-2 ZINC000005423641 204131405 /nfs/dbraw/zinc/13/14/05/204131405.db2.gz SQKLGAGNMRSPHZ-UHFFFAOYSA-N -1 3 397.770 4.792 50 5 GJBAHM O=c1c2cc(Cl)ccc2oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc([O-])c12 ZINC000005423641 204131407 /nfs/dbraw/zinc/13/14/07/204131407.db2.gz SQKLGAGNMRSPHZ-UHFFFAOYSA-N -1 3 397.770 4.792 50 5 GJBAHM O=C([N-]c1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830444 570380667 /nfs/dbraw/zinc/38/06/67/570380667.db2.gz HLBXBUBUOGUJGW-UHFFFAOYSA-N -1 3 383.747 4.902 50 5 GJBAHM COc1ccc(-c2csc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000005193283 570499319 /nfs/dbraw/zinc/49/93/19/570499319.db2.gz ODSDKXPTHBPPCY-UHFFFAOYSA-N -1 3 389.820 4.633 50 5 GJBAHM CC(C)(C)c1ccc(-c2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000001062582 570749718 /nfs/dbraw/zinc/74/97/18/570749718.db2.gz KIIXMXGDXSADSN-UHFFFAOYSA-N -1 3 382.445 4.663 50 5 GJBAHM Cc1nn(-c2ccccc2)c(Cl)c1-c1cc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1 ZINC000002750015 203959541 /nfs/dbraw/zinc/95/95/41/203959541.db2.gz CEDQJKGRVDPUTP-UHFFFAOYSA-N -1 3 397.778 4.799 50 5 GJBAHM CCCc1ccc(OCc2ccc(C(=O)[N-]c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000006400055 204176619 /nfs/dbraw/zinc/17/66/19/204176619.db2.gz FHINSBDICRBEKJ-UHFFFAOYSA-N -1 3 380.400 4.972 50 5 GJBAHM O=C([N-]c1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004072649 570929868 /nfs/dbraw/zinc/92/98/68/570929868.db2.gz QVEHXFDYLFQRHP-UHFFFAOYSA-N -1 3 377.784 4.763 50 5 GJBAHM COc1ccc(-c2nc3ccccc3s2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000004487755 204047572 /nfs/dbraw/zinc/04/75/72/204047572.db2.gz MUVSRMHSMDQLEJ-UHFFFAOYSA-N -1 3 395.396 4.725 50 5 GJBAHM CCCNc1nc2c3sc4nc(C(F)F)cc(C)c4c3[n-]c(=O)c2s1 ZINC000020607322 210352483 /nfs/dbraw/zinc/35/24/83/210352483.db2.gz FULLPKJJLMQQCQ-UHFFFAOYSA-N -1 3 380.445 4.815 50 5 GJBAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017208146 210207632 /nfs/dbraw/zinc/20/76/32/210207632.db2.gz RFMORLKBSBJSGA-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017208146 210207635 /nfs/dbraw/zinc/20/76/35/210207635.db2.gz RFMORLKBSBJSGA-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM CCOC(=O)c1c([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1CC ZINC000001111879 570753787 /nfs/dbraw/zinc/75/37/87/570753787.db2.gz TURJGPRWQQAGHM-UHFFFAOYSA-N -1 3 396.852 4.610 50 5 GJBAHM O=C([N-]c1nc(-c2ccc(F)cc2F)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000671391 209257627 /nfs/dbraw/zinc/25/76/27/209257627.db2.gz BFZCEIFBAXNAKH-UHFFFAOYSA-N -1 3 395.774 4.902 50 5 GJBAHM O=C([N-]c1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000001436450 571002571 /nfs/dbraw/zinc/00/25/71/571002571.db2.gz UZSAODAWILAORW-UHFFFAOYSA-N -1 3 387.367 4.672 50 5 GJBAHM CCOC(=O)c1cc(C(C)C)sc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000676022 570288256 /nfs/dbraw/zinc/28/82/56/570288256.db2.gz OCIPZACIVUWXJS-UHFFFAOYSA-N -1 3 396.852 4.862 50 5 GJBAHM C[C@@H]1Oc2ccccc2C=C1c1c2cnn(C)c2[nH]c2c1oc1cc(=O)cc([O-])c12 ZINC000409415346 534213648 /nfs/dbraw/zinc/21/36/48/534213648.db2.gz BOJJKIYDOFCFNL-NSHDSACASA-N -1 3 399.406 4.600 50 5 biogenic GJBAHM COc1ccc([O-])c(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000004647292 570800474 /nfs/dbraw/zinc/80/04/74/570800474.db2.gz JJARTENOXWQYRC-UHFFFAOYSA-N -1 3 387.395 4.954 50 5 GJBAHM O=c1cc(OCc2ccc(Br)cc2)cc2oc3ccccc3c([O-])c1-2 ZINC000008519990 221043418 /nfs/dbraw/zinc/04/34/18/221043418.db2.gz HMXBUIUXWALQPN-UHFFFAOYSA-N -1 3 397.224 4.993 50 5 biogenic GJBAHM O=c1c2ccccc2oc2cc(OCc3ccc(Br)cc3)cc([O-])c12 ZINC000008519990 221043421 /nfs/dbraw/zinc/04/34/21/221043421.db2.gz HMXBUIUXWALQPN-UHFFFAOYSA-N -1 3 397.224 4.993 50 5 biogenic GJBAHM O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000007003204 570734865 /nfs/dbraw/zinc/73/48/65/570734865.db2.gz KUUGHEAEGHQRHU-UHFFFAOYSA-N -1 3 387.735 4.669 50 5 GJBAHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004072368 570929430 /nfs/dbraw/zinc/92/94/30/570929430.db2.gz FERPKYBBYQVHCW-UHFFFAOYSA-N -1 3 395.227 4.672 50 5 GJBAHM CCCCOc1ccc(-c2cc(C(=O)[N-]c3ccccc3[N+](=O)[O-])no2)cc1 ZINC000046086276 571023164 /nfs/dbraw/zinc/02/31/64/571023164.db2.gz YSDNWGUNYNIBAM-UHFFFAOYSA-N -1 3 381.388 4.681 50 5 GJBAHM O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccccc3[O-])c12 ZINC000000633886 209113880 /nfs/dbraw/zinc/11/38/80/209113880.db2.gz PWPAAPVGCNMMQV-UHFFFAOYSA-N -1 3 375.383 4.663 50 5 GJBAHM Cc1ccc([N-]c2nc(Nc3ccc(C)cc3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])cc1 ZINC000019638796 207144085 /nfs/dbraw/zinc/14/40/85/207144085.db2.gz NCECSSUKBAUXFT-UHFFFAOYSA-N -1 3 394.391 4.584 50 5 GJBAHM O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccc([O-])cc3)c12 ZINC000000629680 212167013 /nfs/dbraw/zinc/16/70/13/212167013.db2.gz GIVQKVWIDSVTRZ-UHFFFAOYSA-N -1 3 375.383 4.663 50 5 GJBAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207858 221381207 /nfs/dbraw/zinc/38/12/07/221381207.db2.gz ZMUJSQUPWBKHBQ-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000017207858 221381209 /nfs/dbraw/zinc/38/12/09/221381209.db2.gz ZMUJSQUPWBKHBQ-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=c1cc(Nc2cccc([N+](=O)[O-])c2)[n-]n1-c1c(Cl)cc(Cl)cc1Cl ZINC000004108447 220682037 /nfs/dbraw/zinc/68/20/37/220682037.db2.gz OWDMXAKKMUMBJI-UHFFFAOYSA-N -1 3 399.621 4.717 50 5 GJBAHM O=c1cc(OCc2cccc(Br)c2)cc2oc3ccccc3c([O-])c1-2 ZINC000005443204 570594914 /nfs/dbraw/zinc/59/49/14/570594914.db2.gz SINLXOUWEISOKB-UHFFFAOYSA-N -1 3 397.224 4.993 50 5 GJBAHM O=c1c2ccccc2oc2cc(OCc3cccc(Br)c3)cc([O-])c12 ZINC000005443204 570594916 /nfs/dbraw/zinc/59/49/16/570594916.db2.gz SINLXOUWEISOKB-UHFFFAOYSA-N -1 3 397.224 4.993 50 5 GJBAHM O=C(COc1cc(=O)c2c([O-])c3ccccc3oc-2c1)c1ccc(Cl)cc1 ZINC000004084020 212146429 /nfs/dbraw/zinc/14/64/29/212146429.db2.gz QVLVJXZPEDCHRF-UHFFFAOYSA-N -1 3 380.783 4.567 50 5 biogenic GJBAHM O=C(COc1cc([O-])c2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1 ZINC000004084020 212146433 /nfs/dbraw/zinc/14/64/33/212146433.db2.gz QVLVJXZPEDCHRF-UHFFFAOYSA-N -1 3 380.783 4.567 50 5 biogenic GJBAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017208143 207088086 /nfs/dbraw/zinc/08/80/86/207088086.db2.gz RFMORLKBSBJSGA-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000017208143 207088089 /nfs/dbraw/zinc/08/80/89/207088089.db2.gz RFMORLKBSBJSGA-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2[n-]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1 ZINC000005090929 570414837 /nfs/dbraw/zinc/41/48/37/570414837.db2.gz IZAIDELMEMUXIA-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1 ZINC000005090929 570414839 /nfs/dbraw/zinc/41/48/39/570414839.db2.gz IZAIDELMEMUXIA-QFIPXVFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=c1[n-]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c21)CCCC3 ZINC000001199045 212228877 /nfs/dbraw/zinc/22/88/77/212228877.db2.gz ZYKANEFDSJERBC-UHFFFAOYSA-N -1 3 393.424 4.699 50 5 GJBAHM CCc1ccc(-c2nc3cc([N-]C(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 ZINC000001209892 206368451 /nfs/dbraw/zinc/36/84/51/206368451.db2.gz ODVREANKOMGDFH-UHFFFAOYSA-N -1 3 377.356 4.811 50 5 GJBAHM CCOc1cccc2cc(-c3csc([N-]C(=O)c4ccc([N+](=O)[O-])o4)n3)oc21 ZINC000010749646 221107609 /nfs/dbraw/zinc/10/76/09/221107609.db2.gz CYYPGASHGCEAJP-UHFFFAOYSA-N -1 3 399.384 4.709 50 5 GJBAHM C[C@H]1Oc2ccccc2C=C1c1c2cnn(C)c2[nH]c2c1oc1cc(=O)cc([O-])c12 ZINC000409415345 231203644 /nfs/dbraw/zinc/20/36/44/231203644.db2.gz BOJJKIYDOFCFNL-LLVKDONJSA-N -1 3 399.406 4.600 50 5 biogenic GJBAHM O=C([N-]c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830427 212187368 /nfs/dbraw/zinc/18/73/68/212187368.db2.gz NFDAYXPKMUAGNK-UHFFFAOYSA-N -1 3 397.774 4.826 50 5 GJBAHM CCCc1cc(C(=O)OCC)c([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000000668997 206314829 /nfs/dbraw/zinc/31/48/29/206314829.db2.gz CDQXOLRKDVHDOL-UHFFFAOYSA-N -1 3 396.852 4.691 50 5 GJBAHM Cc1c(CSc2nnc([N-]c3ccccc3F)s2)cccc1[N+](=O)[O-] ZINC000059123263 222056316 /nfs/dbraw/zinc/05/63/16/222056316.db2.gz IPZNEFNYVYEILG-UHFFFAOYSA-N -1 3 376.438 4.930 50 5 GJBAHM O=C([N-]c1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000849441 206327651 /nfs/dbraw/zinc/32/76/51/206327651.db2.gz NCDMXFKAZBHCOH-UHFFFAOYSA-N -1 3 383.747 4.902 50 5 GJBAHM CCCCN(CCCC)c1nc(Cl)nc([N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC000004179490 220690572 /nfs/dbraw/zinc/69/05/72/220690572.db2.gz COPFYMZBZKQDPH-UHFFFAOYSA-N -1 3 378.864 4.583 50 5 GJBAHM O=C([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005568350 570645798 /nfs/dbraw/zinc/64/57/98/570645798.db2.gz WDSJNRQXKFXBOS-UHFFFAOYSA-N -1 3 390.566 4.716 50 5 GJBAHM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000104238143 570898647 /nfs/dbraw/zinc/89/86/47/570898647.db2.gz GRGSMPGWYSXKSE-UHFFFAOYSA-N -1 3 380.316 4.822 50 5 GJBAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])s1 ZINC000003187566 206461520 /nfs/dbraw/zinc/46/15/20/206461520.db2.gz BXDSPDAWDBNJAD-UHFFFAOYSA-N -1 3 397.437 4.891 50 5 GJBAHM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(Oc3ccccc3)cc2)c2nonc21 ZINC000016310097 221361088 /nfs/dbraw/zinc/36/10/88/221361088.db2.gz JPUSHPXDJXMAKM-UHFFFAOYSA-N -1 3 393.315 4.575 50 5 GJBAHM Cc1cc(C(F)F)nc2sc3c4nc(NC5CC5)sc4c(=O)[n-]c3c21 ZINC000020607469 570271290 /nfs/dbraw/zinc/27/12/90/570271290.db2.gz AEYUUWAJLZJHFV-UHFFFAOYSA-N -1 3 378.429 4.568 50 5 GJBAHM O=C1c2[n-]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005090927 570414756 /nfs/dbraw/zinc/41/47/56/570414756.db2.gz IZAIDELMEMUXIA-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM O=C1c2n[n-]c(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005090927 570414758 /nfs/dbraw/zinc/41/47/58/570414758.db2.gz IZAIDELMEMUXIA-JOCHJYFZSA-N -1 3 396.406 4.735 50 5 GJBAHM CCCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[n-]c(=O)c2s1 ZINC000020607474 207206073 /nfs/dbraw/zinc/20/60/73/207206073.db2.gz DOWSPYBCLVRXLV-UHFFFAOYSA-N -1 3 398.435 4.897 50 5 GJBAHM COc1ccc([O-])c(C2=Nc3ccccc3N=C(c3cccc([N+](=O)[O-])c3)C2)c1 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