smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408577223 555927635 /nfs/dbraw/zinc/92/76/35/555927635.db2.gz YTSXMZOZTLFUAX-JSECANHTSA-N 1 2 432.274 3.026 40 5 IGBBLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366154 569315877 /nfs/dbraw/zinc/31/58/77/569315877.db2.gz XQSYEEIVMRPFQW-FQEVSTJZSA-O 1 2 438.489 3.460 40 5 IGBBLO COc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566297 557417115 /nfs/dbraw/zinc/41/71/15/557417115.db2.gz NKVJTNGQQWXROZ-NRGOMDOESA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br ZINC000408566297 557417117 /nfs/dbraw/zinc/41/71/17/557417117.db2.gz NKVJTNGQQWXROZ-NRGOMDOESA-N 1 2 432.274 3.026 40 5 IGBBLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504723 132348317 /nfs/dbraw/zinc/34/83/17/132348317.db2.gz HVSZWKFMVWDHGG-NRFANRHFSA-N 1 2 439.495 3.432 40 5 IGBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362550 569315650 /nfs/dbraw/zinc/31/56/50/569315650.db2.gz KTIVZOHEZXEVEC-GOSISDBHSA-O 1 2 444.880 3.334 40 5 IGBBLO COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566289 557417122 /nfs/dbraw/zinc/41/71/22/557417122.db2.gz NKVJTNGQQWXROZ-BXFWJSQNSA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566289 557417124 /nfs/dbraw/zinc/41/71/24/557417124.db2.gz NKVJTNGQQWXROZ-BXFWJSQNSA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408577231 557419629 /nfs/dbraw/zinc/41/96/29/557419629.db2.gz YTSXMZOZTLFUAX-NRGOMDOESA-N 1 2 432.274 3.026 40 5 IGBBLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366161 568733809 /nfs/dbraw/zinc/73/38/09/568733809.db2.gz XRRLHKGBWQDHAA-HXUWFJFHSA-O 1 2 438.489 3.460 40 5 IGBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)c(C)cc1[N+](=O)[O-] ZINC000009287526 569295125 /nfs/dbraw/zinc/29/51/25/569295125.db2.gz DPMUTYNODWNDAB-GXRSIYKFSA-N 1 2 447.447 3.016 40 5 IGBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)c(C)cc1[N+](=O)[O-] ZINC000009287526 569295126 /nfs/dbraw/zinc/29/51/26/569295126.db2.gz DPMUTYNODWNDAB-GXRSIYKFSA-N 1 2 447.447 3.016 40 5 IGBBLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000035425426 524041592 /nfs/dbraw/zinc/04/15/92/524041592.db2.gz MMJPHRQASWYHHR-SFHVURJKSA-N 1 2 425.445 3.402 40 5 biogenic,in-vitro IGBBLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000035425426 524041596 /nfs/dbraw/zinc/04/15/96/524041596.db2.gz MMJPHRQASWYHHR-SFHVURJKSA-N 1 2 425.445 3.402 40 5 biogenic,in-vitro IGBBLO O=[N+]([O-])c1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000019904951 569331776 /nfs/dbraw/zinc/33/17/76/569331776.db2.gz LPHANDAHCUVPCZ-UHFFFAOYSA-N 1 2 441.513 3.179 40 5 IGBBLO CCC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057671844 569440779 /nfs/dbraw/zinc/44/07/79/569440779.db2.gz DORZDLUXWBDSTF-QFIPXVFZSA-N 1 2 435.532 3.487 40 5 IGBBLO CCOc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408570735 557419209 /nfs/dbraw/zinc/41/92/09/557419209.db2.gz LZMRNCTXABHSKX-ZSOARMDNSA-N 1 2 446.301 3.416 40 5 IGBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(C)=O)[N@H+]2C=Cc4ccccc4[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000104019940 557449203 /nfs/dbraw/zinc/44/92/03/557449203.db2.gz DPMUTYNODWNDAB-YSFYHYPLSA-N 1 2 447.447 3.016 40 5 IGBBLO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(C)=O)[N@@H+]2C=Cc4ccccc4[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000104019940 557449207 /nfs/dbraw/zinc/44/92/07/557449207.db2.gz DPMUTYNODWNDAB-YSFYHYPLSA-N 1 2 447.447 3.016 40 5 IGBBLO COc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566292 557417595 /nfs/dbraw/zinc/41/75/95/557417595.db2.gz NKVJTNGQQWXROZ-JSECANHTSA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566292 557417596 /nfs/dbraw/zinc/41/75/96/557417596.db2.gz NKVJTNGQQWXROZ-JSECANHTSA-N 1 2 432.274 3.026 40 5 IGBBLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000261363975 569315790 /nfs/dbraw/zinc/31/57/90/569315790.db2.gz IVMMFVUWQHUOFB-HXUWFJFHSA-O 1 2 438.489 3.460 40 5 IGBBLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505433 132348911 /nfs/dbraw/zinc/34/89/11/132348911.db2.gz OAWFXFHXSOSZIR-QFIPXVFZSA-N 1 2 435.532 3.343 40 5 IGBBLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000012644404 525565747 /nfs/dbraw/zinc/56/57/47/525565747.db2.gz LRAYOJCARDBHTE-UHFFFAOYSA-N 1 2 430.892 3.390 40 5 IGBBLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504722 535722554 /nfs/dbraw/zinc/72/25/54/535722554.db2.gz HVSZWKFMVWDHGG-OAQYLSRUSA-N 1 2 439.495 3.432 40 5 IGBBLO CCC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057671847 569440798 /nfs/dbraw/zinc/44/07/98/569440798.db2.gz DORZDLUXWBDSTF-JOCHJYFZSA-N 1 2 435.532 3.487 40 5 IGBBLO C[N@@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808627 524013766 /nfs/dbraw/zinc/01/37/66/524013766.db2.gz MCWBHPUGSASSAT-SNYIIPAISA-N 1 2 428.448 3.366 40 5 IGBBLO C[N@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808627 524013770 /nfs/dbraw/zinc/01/37/70/524013770.db2.gz MCWBHPUGSASSAT-SNYIIPAISA-N 1 2 428.448 3.366 40 5 IGBBLO O=C(C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000012644371 526728114 /nfs/dbraw/zinc/72/81/14/526728114.db2.gz OQGLJRYXSMHWRB-UHFFFAOYSA-N 1 2 440.544 3.330 40 5 IGBBLO CCOc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408570732 557418440 /nfs/dbraw/zinc/41/84/40/557418440.db2.gz LZMRNCTXABHSKX-SDNIMSTDSA-N 1 2 446.301 3.416 40 5 IGBBLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000035424999 521752021 /nfs/dbraw/zinc/75/20/21/521752021.db2.gz SVMKGBJLHBGOES-SFHVURJKSA-N 1 2 425.445 3.402 40 5 biogenic,in-vitro IGBBLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000035424999 521752027 /nfs/dbraw/zinc/75/20/27/521752027.db2.gz SVMKGBJLHBGOES-SFHVURJKSA-N 1 2 425.445 3.402 40 5 biogenic,in-vitro IGBBLO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006444734 568906941 /nfs/dbraw/zinc/90/69/41/568906941.db2.gz HUWRAWVTGAUAON-UHFFFAOYSA-N 1 2 437.485 3.116 40 5 IGBBLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000261363974 569315765 /nfs/dbraw/zinc/31/57/65/569315765.db2.gz IVMMFVUWQHUOFB-FQEVSTJZSA-O 1 2 438.489 3.460 40 5 IGBBLO CCOc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408570731 557417391 /nfs/dbraw/zinc/41/73/91/557417391.db2.gz LZMRNCTXABHSKX-GFDJHTQQSA-N 1 2 446.301 3.416 40 5 IGBBLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C[N@@H+](C)CC2 ZINC000408574756 557418989 /nfs/dbraw/zinc/41/89/89/557418989.db2.gz KXDULFVWTCLYTO-UHFFFAOYSA-N 1 2 435.527 3.303 40 5 IGBBLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C[N@H+](C)CC2 ZINC000408574756 557418994 /nfs/dbraw/zinc/41/89/94/557418994.db2.gz KXDULFVWTCLYTO-UHFFFAOYSA-N 1 2 435.527 3.303 40 5 IGBBLO Cn1c(=O)nc2n(-c3ccc([NH+]4CCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497873 557826306 /nfs/dbraw/zinc/82/63/06/557826306.db2.gz QILHNYFEAWAYSV-UHFFFAOYSA-N 1 2 431.452 3.088 40 5 IGBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362551 569315654 /nfs/dbraw/zinc/31/56/54/569315654.db2.gz KTIVZOHEZXEVEC-SFHVURJKSA-O 1 2 444.880 3.334 40 5 IGBBLO C[N@@H+]1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000036542239 569117204 /nfs/dbraw/zinc/11/72/04/569117204.db2.gz XTYQJDDJSCXYNN-XVWGUNQUSA-N 1 2 428.448 3.366 40 5 IGBBLO C[N@H+]1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000036542239 569117205 /nfs/dbraw/zinc/11/72/05/569117205.db2.gz XTYQJDDJSCXYNN-XVWGUNQUSA-N 1 2 428.448 3.366 40 5 IGBBLO COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1Br ZINC000408566295 557417012 /nfs/dbraw/zinc/41/70/12/557417012.db2.gz NKVJTNGQQWXROZ-LYEUKMHKSA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br ZINC000408566295 557417018 /nfs/dbraw/zinc/41/70/18/557417018.db2.gz NKVJTNGQQWXROZ-LYEUKMHKSA-N 1 2 432.274 3.026 40 5 IGBBLO COc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408577227 557419442 /nfs/dbraw/zinc/41/94/42/557419442.db2.gz YTSXMZOZTLFUAX-LYEUKMHKSA-N 1 2 432.274 3.026 40 5 IGBBLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505432 535169681 /nfs/dbraw/zinc/16/96/81/535169681.db2.gz OAWFXFHXSOSZIR-JOCHJYFZSA-N 1 2 435.532 3.343 40 5 IGBBLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000004908263 556825788 /nfs/dbraw/zinc/82/57/88/556825788.db2.gz FFTZODLAHOORCU-AYHJJNSGSA-N 1 2 429.521 3.161 40 5 IGBBLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000004908263 556825791 /nfs/dbraw/zinc/82/57/91/556825791.db2.gz FFTZODLAHOORCU-AYHJJNSGSA-N 1 2 429.521 3.161 40 5 IGBBLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000261365888 568733763 /nfs/dbraw/zinc/73/37/63/568733763.db2.gz WAKRZWWHSIDOJS-HXUWFJFHSA-O 1 2 438.489 3.460 40 5 IGBBLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366160 569315951 /nfs/dbraw/zinc/31/59/51/569315951.db2.gz XRRLHKGBWQDHAA-FQEVSTJZSA-O 1 2 438.489 3.460 40 5 IGBBLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989841 568861870 /nfs/dbraw/zinc/86/18/70/568861870.db2.gz GUDLRFKUINIPKG-WNRNVDISSA-N 1 2 438.827 3.326 40 5 IGBBLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989841 568861871 /nfs/dbraw/zinc/86/18/71/568861871.db2.gz GUDLRFKUINIPKG-WNRNVDISSA-N 1 2 438.827 3.326 40 5 IGBBLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016401484 527460048 /nfs/dbraw/zinc/46/00/48/527460048.db2.gz CCBNDUNJVQEGED-UHFFFAOYSA-N 1 2 434.905 3.207 40 5 IGBBLO Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000033522464 557403568 /nfs/dbraw/zinc/40/35/68/557403568.db2.gz SNJZDLMWUSLSDV-UHFFFAOYSA-N 1 2 437.475 3.245 40 5 IGBBLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261366155 569315983 /nfs/dbraw/zinc/31/59/83/569315983.db2.gz XQSYEEIVMRPFQW-HXUWFJFHSA-O 1 2 438.489 3.460 40 5 IGBBLO COc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408577217 555927669 /nfs/dbraw/zinc/92/76/69/555927669.db2.gz YTSXMZOZTLFUAX-BXFWJSQNSA-N 1 2 432.274 3.026 40 5 IGBBLO CCOc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@]2([NH2+][C@H]1C)C(=O)Nc1ccccc12 ZINC000408570728 557419273 /nfs/dbraw/zinc/41/92/73/557419273.db2.gz LZMRNCTXABHSKX-DZJWMVGBSA-N 1 2 446.301 3.416 40 5 IGBBLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016401480 568887614 /nfs/dbraw/zinc/88/76/14/568887614.db2.gz MOKATFMUXDQEJM-UHFFFAOYSA-N 1 2 434.905 3.207 40 5 IGBBLO CC(C)n1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012640115 519926910 /nfs/dbraw/zinc/92/69/10/519926910.db2.gz TYQFAXNQMWTJOY-UHFFFAOYSA-N 1 2 429.502 3.036 40 5 IGBBLO C[N@@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808621 524013861 /nfs/dbraw/zinc/01/38/61/524013861.db2.gz DOFNEERPAASDCH-SNYIIPAISA-N 1 2 428.448 3.366 40 5 IGBBLO C[N@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808621 524013864 /nfs/dbraw/zinc/01/38/64/524013864.db2.gz DOFNEERPAASDCH-SNYIIPAISA-N 1 2 428.448 3.366 40 5 IGBBLO CCCn1c2ccccc2[nH+]c1N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000001370947 556792895 /nfs/dbraw/zinc/79/28/95/556792895.db2.gz GLKPHNXWRIDJBU-UHFFFAOYSA-N 1 2 436.516 3.424 40 5 IGBBLO O=C(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000039013574 569470043 /nfs/dbraw/zinc/47/00/43/569470043.db2.gz KKJOXLNCYXBXRS-UHFFFAOYSA-N 1 2 438.509 3.188 40 5 IGBBLO Cn1c(=O)nc2n(-c3ccc([NH+]4CCCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497874 557826331 /nfs/dbraw/zinc/82/63/31/557826331.db2.gz YAVAWYMQAHIITP-UHFFFAOYSA-N 1 2 445.479 3.478 40 5 IGBBLO C[N@@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000035808504 524013271 /nfs/dbraw/zinc/01/32/71/524013271.db2.gz SVKPQABTYLBYBG-XVWGUNQUSA-N 1 2 428.448 3.366 40 5 IGBBLO C[N@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000035808504 524013276 /nfs/dbraw/zinc/01/32/76/524013276.db2.gz SVKPQABTYLBYBG-XVWGUNQUSA-N 1 2 428.448 3.366 40 5 IGBBLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000261365887 568733747 /nfs/dbraw/zinc/73/37/47/568733747.db2.gz WAKRZWWHSIDOJS-FQEVSTJZSA-O 1 2 438.489 3.460 40 5 IGBBLO