smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)NC1CCCCC1 ZINC000000001515 425529454 /nfs/dbraw/zinc/52/94/54/425529454.db2.gz NFRPNQDSKJJQGV-UHFFFAOYSA-N -1 1 322.430 2.700 40 30 in-man DFEBMM O=S(=O)(N=C([O-])NC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000000001515 425529458 /nfs/dbraw/zinc/52/94/58/425529458.db2.gz NFRPNQDSKJJQGV-UHFFFAOYSA-N -1 1 322.430 2.700 40 30 in-man DFEBMM C=CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000012419308 425728102 /nfs/dbraw/zinc/72/81/02/425728102.db2.gz GYQWMQHQNWAKJF-WQLSENKSSA-N -1 1 307.396 2.749 40 30 DFEBMM Cc1cc(/C=N\[O-])cc(C)c1OS(=O)(=O)c1ccccc1 ZINC000256052982 398427103 /nfs/dbraw/zinc/42/71/03/398427103.db2.gz PNMJIUATOJJNHH-YBEGLDIGSA-N -1 1 305.355 2.879 40 30 DFEBMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC000079109704 399017748 /nfs/dbraw/zinc/01/77/48/399017748.db2.gz ILZJJBCWFKLPFP-UHFFFAOYSA-N -1 1 307.231 2.930 40 30 DFEBMM Cc1cccc2cc(C#N)c(NCC[N-]C(=O)C(F)(F)F)nc12 ZINC000035311135 425843723 /nfs/dbraw/zinc/84/37/23/425843723.db2.gz UDISULOOEVVWQJ-UHFFFAOYSA-N -1 1 322.290 2.505 40 30 DFEBMM CCOC(=O)c1sc(=Nc2ccc(OC)c(OC)c2)[n-]c1C ZINC000104284488 425962190 /nfs/dbraw/zinc/96/21/90/425962190.db2.gz HPVMYCFHJLKQJK-SXXBIRCQSA-N -1 1 322.386 2.831 40 30 DFEBMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000009665798 425693126 /nfs/dbraw/zinc/69/31/26/425693126.db2.gz YHVABMZUNYPYOQ-AWQFTUOYSA-N -1 1 310.279 2.933 40 30 DFEBMM Cc1ccc2nc(NCC[N-]C(=O)C(F)(F)F)c(C#N)cc2c1 ZINC000035289210 425843929 /nfs/dbraw/zinc/84/39/29/425843929.db2.gz DRODVXDOSWYZDC-UHFFFAOYSA-N -1 1 322.290 2.505 40 30 DFEBMM O=C1C=C([O-])CC(=O)C1=CC=CC=Cc1c(O)cc(O)cc1O ZINC000104047055 425957836 /nfs/dbraw/zinc/95/78/36/425957836.db2.gz DVRDGJBDBGWKTN-AHRIBXHZSA-N -1 1 314.293 2.766 40 30 DFEBMM Cn1c2ccccc2[nH]c1=NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000052412216 398839850 /nfs/dbraw/zinc/83/98/50/398839850.db2.gz PWTCBSZSLMKTBV-CXUHLZMHSA-N -1 1 311.301 2.633 40 30 DFEBMM O=C1NC(=O)C(c2ccc(Br)c3ccccc23)=C1[O-] ZINC000031659392 425835506 /nfs/dbraw/zinc/83/55/06/425835506.db2.gz BENYDGHPDJVJAN-UHFFFAOYSA-N -1 1 318.126 2.528 40 30 DFEBMM [O-]/N=C1C(=N/O)\N(c2ccccc2)C(=S)N\1c1ccccc1 ZINC000018251611 283711102 /nfs/dbraw/zinc/71/11/02/283711102.db2.gz YSOJOPOHRLMDJD-DISAMGIASA-N -1 1 312.354 2.874 40 30 DFEBMM CCO[P@@](C)(=O)/C(Cc1ccc(OC)c(OC)c1)=N\[O-] ZINC000016958655 182066746 /nfs/dbraw/zinc/06/67/46/182066746.db2.gz VWNKYRQEVGMBBB-CLEWGBKMSA-N -1 1 301.279 2.978 40 30 DFEBMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000007890719 425655166 /nfs/dbraw/zinc/65/51/66/425655166.db2.gz NBWKRJVDSXJNSY-WOJGMQOQSA-N -1 1 312.325 2.992 40 30 DFEBMM O=C([O-])C(CC(=O)c1ccc([N+](=O)[O-])cc1)=Nc1ccccc1 ZINC000033337478 425842025 /nfs/dbraw/zinc/84/20/25/425842025.db2.gz GWEQEBHRKPKIOK-GXDHUFHOSA-N -1 1 312.281 2.858 40 30 DFEBMM CCCCOc1cccc(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000004423959 520898564 /nfs/dbraw/zinc/89/85/64/520898564.db2.gz LBUARSHNPAMJQL-GZTJUZNOSA-N -1 1 300.362 2.703 40 30 DFEBMM [O-]/N=C(Sc1ccccn1)\C(=N\O)Sc1ccccn1 ZINC000017140291 182077074 /nfs/dbraw/zinc/07/70/74/182077074.db2.gz LWIGRSUVENCDQK-UKVBVZPVSA-N -1 1 306.372 2.936 40 30 DFEBMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000038613804 183004415 /nfs/dbraw/zinc/00/44/15/183004415.db2.gz YHVABMZUNYPYOQ-UKWGHVSLSA-N -1 1 310.279 2.933 40 30 DFEBMM O=C1C(=O)C([C@H](O)C(Cl)(Cl)Cl)=C([O-])c2ccccc21 ZINC000008619391 425673223 /nfs/dbraw/zinc/67/32/23/425673223.db2.gz IMOLAKQAOWORIC-NSHDSACASA-N -1 1 321.543 2.609 40 30 DFEBMM O=C1SC(=S)NC1=Cc1ccc([O-])c(Br)c1 ZINC000006925698 280313067 /nfs/dbraw/zinc/31/30/67/280313067.db2.gz OLRUMFFGIYSBTM-QPJJXVBHSA-N -1 1 316.201 2.644 40 30 DFEBMM C/C(=N\O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005260152 181223503 /nfs/dbraw/zinc/22/35/03/181223503.db2.gz WDYZUIPQZJLQRV-FOWTUZBSSA-N -1 1 304.371 2.994 40 30 DFEBMM O=C1NN=C(C(F)(F)F)C1=N[N-]c1c[nH]nc1-c1ccccc1 ZINC000016491863 182047843 /nfs/dbraw/zinc/04/78/43/182047843.db2.gz MHBWGHLHTANBMU-UHFFFAOYSA-N -1 1 322.250 2.733 40 30 DFEBMM Cc1ccc(-c2ccc(CN=Nc3nn[n-]n3)o2)cc1Cl ZINC000005795390 181284952 /nfs/dbraw/zinc/28/49/52/181284952.db2.gz VQWAKAQZYQSEBR-VIZOYTHASA-N -1 1 302.725 2.868 40 30 DFEBMM COc1ccc(/C=C2/Oc3cc([O-])cc(O)c3C2=O)cc1OC ZINC000148497937 398915120 /nfs/dbraw/zinc/91/51/20/398915120.db2.gz BZIWUSANDYRNLN-GIDUJCDVSA-N -1 1 314.293 2.731 40 30 DFEBMM N#CC(=C([O-])c1cccc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000016523802 182048487 /nfs/dbraw/zinc/04/84/87/182048487.db2.gz DECNQQMGXULDEO-AWEZNQCLSA-N -1 1 323.743 2.806 40 30 DFEBMM C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1O ZINC000002119962 425589221 /nfs/dbraw/zinc/58/92/21/425589221.db2.gz ROFGPQGVYHWMEQ-YRNVUSSQSA-N -1 1 307.396 2.618 40 30 DFEBMM NNC(=CC([O-])(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000006514060 181348522 /nfs/dbraw/zinc/34/85/22/181348522.db2.gz MOLVZKURSYCJAE-UFWORHAWSA-N -1 1 300.202 2.595 40 30 DFEBMM O=C1C(=O)C([C@@H](O)C(Cl)(Cl)Cl)=C([O-])c2ccccc21 ZINC000008619393 425672595 /nfs/dbraw/zinc/67/25/95/425672595.db2.gz IMOLAKQAOWORIC-LLVKDONJSA-N -1 1 321.543 2.609 40 30 DFEBMM COc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1F ZINC000007360494 425641868 /nfs/dbraw/zinc/64/18/68/425641868.db2.gz CGLVNGWOTYUHSX-UHFFFAOYSA-N -1 1 320.345 2.701 40 30 DFEBMM N#CC(=C([O-])c1cccc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000016523800 182048558 /nfs/dbraw/zinc/04/85/58/182048558.db2.gz DECNQQMGXULDEO-CQSZACIVSA-N -1 1 323.743 2.806 40 30 DFEBMM CCOC(=O)C(Cl)=N[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000252478402 257274754 /nfs/dbraw/zinc/27/47/54/257274754.db2.gz ALNGIPRGCSMJCK-UHFFFAOYSA-N -1 1 306.105 2.776 40 30 DFEBMM CCO[P@](C)(=O)/C(Cc1ccc(OC)c(OC)c1)=N/[O-] ZINC000104309956 425963534 /nfs/dbraw/zinc/96/35/34/425963534.db2.gz VWNKYRQEVGMBBB-AIGDTVQASA-N -1 1 301.279 2.978 40 30 DFEBMM C=CCc1cc(C=Nn2c(C)n[n-]c2=S)cc(OC)c1O ZINC000057780005 399061312 /nfs/dbraw/zinc/06/13/12/399061312.db2.gz CTUURQRVQLFWST-OVCLIPMQSA-N -1 1 304.375 2.574 40 30 DFEBMM CN(CCC#N)c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000001652385 425585543 /nfs/dbraw/zinc/58/55/43/425585543.db2.gz GXPVEIYAGUQFEM-XFXZXTDPSA-N -1 1 303.412 2.525 40 30 DFEBMM CCn1c(C)c(C=NNc2nc(C)cc(=O)[n-]2)c2ccccc21 ZINC000015906867 182024035 /nfs/dbraw/zinc/02/40/35/182024035.db2.gz YJCVZUBQDHPHSB-VCHYOVAHSA-N -1 1 309.373 2.807 40 30 DFEBMM NC1=C(Nc2ccccc2)C(=O)c2c(Cl)ccc([O-])c2C1=O ZINC000100251872 257232091 /nfs/dbraw/zinc/23/20/91/257232091.db2.gz VKLPUEAOQJOANB-UHFFFAOYSA-N -1 1 314.728 2.707 40 30 DFEBMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C ZINC000032586429 264003092 /nfs/dbraw/zinc/00/30/92/264003092.db2.gz IXQQDJKQCZKJFW-UHFFFAOYSA-N -1 1 302.355 2.676 40 30 DFEBMM O=C([N-]C(=O)C(F)(F)C(F)(F)F)Nc1cc(F)ccc1F ZINC000001866117 425586671 /nfs/dbraw/zinc/58/66/71/425586671.db2.gz SVCHDGILWOYKJS-UHFFFAOYSA-N -1 1 318.148 2.811 40 30 DFEBMM CCOC(=O)c1sc(=Nc2ccc(OC)c(OC)c2)[n-]c1C ZINC000104284495 425961954 /nfs/dbraw/zinc/96/19/54/425961954.db2.gz HPVMYCFHJLKQJK-BVFVFODLSA-N -1 1 322.386 2.831 40 30 DFEBMM CCS(=O)(=O)[C@H](C)/C(=N/[O-])c1ccc(Cl)cc1Cl ZINC000096524538 426438880 /nfs/dbraw/zinc/43/88/80/426438880.db2.gz SZBGHIBMNURVSR-ODFQPRPBSA-N -1 1 310.202 2.995 40 30 DFEBMM N#CC=C([O-])c1ccc(I)c(F)c1F ZINC000098210943 426480558 /nfs/dbraw/zinc/48/05/58/426480558.db2.gz UNFIILLJASACCW-UHFFFAOYSA-N -1 1 307.037 2.666 40 30 DFEBMM COc1ccc(Nc2nc3ccc(C)cn3c(=O)c2/C=N/[O-])cc1 ZINC000101650018 426485703 /nfs/dbraw/zinc/48/57/03/426485703.db2.gz NAMNIWFRIPQVAO-GIJQJNRQSA-N -1 1 324.340 2.563 40 30 DFEBMM CCCCCCCCSC(=O)n1cc(F)c(=O)[n-]c1=O ZINC000001612823 520045779 /nfs/dbraw/zinc/04/57/79/520045779.db2.gz KTIAILQWAKDSLL-UHFFFAOYSA-N -1 1 302.371 2.738 40 30 DFEBMM C#CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCC ZINC000005128456 181207509 /nfs/dbraw/zinc/20/75/09/181207509.db2.gz FATOHLACAWBODY-LCYFTJDESA-N -1 1 319.407 2.586 40 30 DFEBMM COc1ccc(NC(=O)COc2cccc(/C=N\[O-])c2)cc1 ZINC000409375812 257220082 /nfs/dbraw/zinc/22/00/82/257220082.db2.gz PLTNLFQGKRTERG-YVLHZVERSA-N -1 1 300.314 2.521 40 30 DFEBMM COc1ccccc1NC(=O)COc1cccc(/C=N\[O-])c1 ZINC000409370154 257220342 /nfs/dbraw/zinc/22/03/42/257220342.db2.gz MBQSPWRPYKKNCO-YVLHZVERSA-N -1 1 300.314 2.521 40 30 DFEBMM CCOC(=O)C(Cl)=N[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000100415233 426481788 /nfs/dbraw/zinc/48/17/88/426481788.db2.gz HJLFCDMGCKZXFR-ZROIWOOFSA-N -1 1 306.105 2.776 40 30 DFEBMM CCOC(=O)C(Cl)=N[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC000100415149 426482202 /nfs/dbraw/zinc/48/22/02/426482202.db2.gz AIKIUUOPOBDUPQ-ZROIWOOFSA-N -1 1 306.105 2.776 40 30 DFEBMM C=CCn1c([C@H](C)NC(=O)c2ccccc2C)n[n-]c1=S ZINC000005520666 181253199 /nfs/dbraw/zinc/25/31/99/181253199.db2.gz WUGYVZWSONIFTP-NSHDSACASA-N -1 1 302.403 2.926 40 30 DFEBMM C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OC ZINC000409343753 257220094 /nfs/dbraw/zinc/22/00/94/257220094.db2.gz GGDUSEAFQICWMC-XYOKQWHBSA-N -1 1 321.423 2.921 40 30 DFEBMM C=CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)C(=O)[N-]C1=S ZINC000408903088 257226120 /nfs/dbraw/zinc/22/61/20/257226120.db2.gz PBSWNDHPFLDGHN-GXDHUFHOSA-N -1 1 314.410 2.623 40 30 DFEBMM [O-]/N=C1C(=N/O)/N(c2ccccc2)C(=S)N/1c1ccccc1 ZINC000104232256 257232475 /nfs/dbraw/zinc/23/24/75/257232475.db2.gz YSOJOPOHRLMDJD-YKVSKMSXSA-N -1 1 312.354 2.874 40 30 DFEBMM O=C([O-])C(=CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004535099 181120754 /nfs/dbraw/zinc/12/07/54/181120754.db2.gz SIUJGWJCPDBKIC-UVTDQMKNSA-N -1 1 312.281 2.858 40 30 DFEBMM COc1ccc(/C=N/[O-])c(OCC(=O)Nc2cccc(C)c2)c1 ZINC000409059672 257223401 /nfs/dbraw/zinc/22/34/01/257223401.db2.gz WOAXAAKHHSOPMC-VCHYOVAHSA-N -1 1 314.341 2.829 40 30 DFEBMM CCOC(=O)c1sc(=Nc2ccc(OC)c(OC)c2)[n-]c1C ZINC000017196492 521317114 /nfs/dbraw/zinc/31/71/14/521317114.db2.gz HPVMYCFHJLKQJK-PERWBAPNSA-N -1 1 322.386 2.831 40 30 DFEBMM C=CCN1C(=O)C(=Cc2cc(C)c(O)c(C)c2)C(=O)[N-]C1=S ZINC000038187019 398556425 /nfs/dbraw/zinc/55/64/25/398556425.db2.gz JDDXWBZYUNXYNS-WQLSENKSSA-N -1 1 316.382 2.662 40 30 DFEBMM CCCc1cc(=O)[n-]c(Sc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000006400003 181337683 /nfs/dbraw/zinc/33/76/83/181337683.db2.gz WLYNIOCGEBSMPK-UHFFFAOYSA-N -1 1 316.342 2.653 40 30 DFEBMM C=CCOc1c(C=C2SC(=S)[N-]C2=O)cccc1OC ZINC000408529656 257230310 /nfs/dbraw/zinc/23/03/10/257230310.db2.gz IXKMHFVITQGANI-DHZHZOJOSA-N -1 1 307.396 2.749 40 30 DFEBMM COc1cc(/C=N\[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015990457 182027777 /nfs/dbraw/zinc/02/77/77/182027777.db2.gz UNVDOFRLFOJNHX-SXGWCWSVSA-N -1 1 302.286 2.991 40 30 DFEBMM CCOC(=O)c1sc(=Nc2ccc(OC)c(OC)c2)[n-]c1C ZINC000016957295 521141840 /nfs/dbraw/zinc/14/18/40/521141840.db2.gz HPVMYCFHJLKQJK-WKSPDDFDSA-N -1 1 322.386 2.831 40 30 DFEBMM O=S(=O)(Oc1ccc(/C=N/[O-])cc1Cl)c1ccccc1 ZINC000409068126 257223563 /nfs/dbraw/zinc/22/35/63/257223563.db2.gz FTQWXIQITLHXAV-OQLLNIDSSA-N -1 1 311.746 2.916 40 30 DFEBMM NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2[O-])cc1 ZINC000408962846 257225295 /nfs/dbraw/zinc/22/52/95/257225295.db2.gz KDQDHRDTBLRBET-LSCVHKIXSA-N -1 1 304.733 2.660 40 30 DFEBMM COc1cccc(C=NO)c1OCc1ccc(C(=O)[O-])cc1 ZINC000254835818 332266114 /nfs/dbraw/zinc/26/61/14/332266114.db2.gz ASSDOGWYUZXXPJ-UHFFFAOYSA-N -1 1 301.298 2.781 40 30 DFEBMM CCO[P@@](C)(=O)/C(Cc1ccc(OC)c(OC)c1)=N/[O-] ZINC000104309960 256579186 /nfs/dbraw/zinc/57/91/86/256579186.db2.gz VWNKYRQEVGMBBB-FBRRREGBSA-N -1 1 301.279 2.978 40 30 DFEBMM C#CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000408528002 257230394 /nfs/dbraw/zinc/23/03/94/257230394.db2.gz BXDDKKNMQCMUHR-XFFZJAGNSA-N -1 1 309.799 2.841 40 30 DFEBMM N#Cc1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)(F)F)n1 ZINC000078406602 426169140 /nfs/dbraw/zinc/16/91/40/426169140.db2.gz BCUCVRYGCMIRPZ-UHFFFAOYSA-N -1 1 315.236 2.755 40 30 DFEBMM CCO[P@](C)(=O)/C(Cc1ccc(OC)c(OC)c1)=N\[O-] ZINC000017254043 425787262 /nfs/dbraw/zinc/78/72/62/425787262.db2.gz VWNKYRQEVGMBBB-ODLZTCLXSA-N -1 1 301.279 2.978 40 30 DFEBMM Cc1n[n-]c(=S)n1N=Cc1cc(Br)ccc1O ZINC000005410217 279053455 /nfs/dbraw/zinc/05/34/55/279053455.db2.gz VQVLDNVJTMFMNL-LFYBBSHMSA-N -1 1 313.180 2.599 40 30 DFEBMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000079108504 185158927 /nfs/dbraw/zinc/15/89/27/185158927.db2.gz GGCKQIDHQVWGRN-UHFFFAOYSA-N -1 1 318.402 2.589 40 30 DFEBMM Cn1c2ccccc2nc1NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000007343304 398361331 /nfs/dbraw/zinc/36/13/31/398361331.db2.gz XRQZLTVRORCFIV-CXUHLZMHSA-N -1 1 311.301 2.633 40 30 DFEBMM C=CCn1c([C@@H](C)NC(=O)c2ccccc2C)n[n-]c1=S ZINC000013151279 181834223 /nfs/dbraw/zinc/83/42/23/181834223.db2.gz WUGYVZWSONIFTP-LLVKDONJSA-N -1 1 302.403 2.926 40 30 DFEBMM O=C1C=C([O-])CC(=O)C1=CC=CC=Cc1c(O)cc(O)cc1O ZINC000102312117 426488517 /nfs/dbraw/zinc/48/85/17/426488517.db2.gz DVRDGJBDBGWKTN-VRKNDVPDSA-N -1 1 314.293 2.766 40 30 DFEBMM CC[C@H](/C(=N/[O-])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524578 193676237 /nfs/dbraw/zinc/67/62/37/193676237.db2.gz KSGRXTNRXDEJIK-PIYPRNMZSA-N -1 1 310.202 2.995 40 30 DFEBMM COc1ccc2ccccc2c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000018101012 182093175 /nfs/dbraw/zinc/09/31/75/182093175.db2.gz HRQINFHOTKCDEE-VCHYOVAHSA-N -1 1 308.341 2.686 40 30 DFEBMM COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(=O)[O-])c2)c1O ZINC000002756228 425601859 /nfs/dbraw/zinc/60/18/59/425601859.db2.gz XYLLIEVKXRANEK-LZYBPNLTSA-N -1 1 316.269 2.758 40 30 DFEBMM NNC(=CC([O-])(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000005854454 181289790 /nfs/dbraw/zinc/28/97/90/181289790.db2.gz MOLVZKURSYCJAE-UWVJOHFNSA-N -1 1 300.202 2.595 40 30 DFEBMM CCS(=O)(=O)[C@@H](C)/C(=N/[O-])c1ccc(Cl)cc1Cl ZINC000096524537 426439076 /nfs/dbraw/zinc/43/90/76/426439076.db2.gz SZBGHIBMNURVSR-GWLWYURSSA-N -1 1 310.202 2.995 40 30 DFEBMM [O-]/N=C1C(=N\O)/N(c2ccccc2)C(=S)N/1c1ccccc1 ZINC000104232254 257232509 /nfs/dbraw/zinc/23/25/09/257232509.db2.gz YSOJOPOHRLMDJD-FEUFJANWSA-N -1 1 312.354 2.874 40 30 DFEBMM [O-]/N=C1C(=N\O)\N(c2ccccc2)C(=S)N\1c1ccccc1 ZINC000104232254 257232511 /nfs/dbraw/zinc/23/25/11/257232511.db2.gz YSOJOPOHRLMDJD-FEUFJANWSA-N -1 1 312.354 2.874 40 30 DFEBMM 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