smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCN(C)C2(CCN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC2)C1=O ZINC001164644716 719282897 /nfs/dbraw/zinc/28/28/97/719282897.db2.gz RREULXAUCYVDAR-UHFFFAOYSA-N 0 0 474.949 2.465 20 5 JEBDRN O=[N+]([O-])c1cc(-c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)nn2)ccc1Cl ZINC001164681312 719588769 /nfs/dbraw/zinc/58/87/69/719588769.db2.gz XJIHSGROYUUIKM-UHFFFAOYSA-N 0 0 456.894 2.149 20 5 JEBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164705055 719875066 /nfs/dbraw/zinc/87/50/66/719875066.db2.gz NGLPFSWTRIEYFH-OPAMFIHVSA-N 0 0 459.478 2.424 20 5 JEBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164705056 719875159 /nfs/dbraw/zinc/87/51/59/719875159.db2.gz NGLPFSWTRIEYFH-ZHRRBRCNSA-N 0 0 459.478 2.424 20 5 JEBDRN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164701624 719881787 /nfs/dbraw/zinc/88/17/87/719881787.db2.gz NYKIRCRAXVJKMG-CYZMBNFOSA-N 0 0 454.821 2.316 20 5 JEBDRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164699732 719882601 /nfs/dbraw/zinc/88/26/01/719882601.db2.gz HUELFUISEQWSCJ-RAIGVLPGSA-N 0 0 454.821 2.316 20 5 JEBDRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001164699731 719882652 /nfs/dbraw/zinc/88/26/52/719882652.db2.gz HUELFUISEQWSCJ-KGYLQXTDSA-N 0 0 454.821 2.316 20 5 JEBDRN O=C(N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164711484 720051935 /nfs/dbraw/zinc/05/19/35/720051935.db2.gz HYXLUEPLZXBJLF-HFBAOOFYSA-N 0 0 468.848 2.392 20 5 JEBDRN O=C(N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164710213 720052294 /nfs/dbraw/zinc/05/22/94/720052294.db2.gz DCPRRJLAIPEBAP-GHJWDPDVSA-N 0 0 468.848 2.392 20 5 JEBDRN COc1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)c1[N+](=O)[O-] ZINC001164823156 720368561 /nfs/dbraw/zinc/36/85/61/720368561.db2.gz BKWJJEYATODYOH-UHFFFAOYSA-N 0 0 460.560 2.385 20 5 JEBDRN Cc1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001164826995 720442434 /nfs/dbraw/zinc/44/24/34/720442434.db2.gz XXWFLJGXXAGNEA-HNNXBMFYSA-N 0 0 450.927 2.138 20 5 JEBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164827270 720445588 /nfs/dbraw/zinc/44/55/88/720445588.db2.gz ZTKHZVNNAOIDFU-OAHLLOKOSA-N 0 0 450.927 2.138 20 5 JEBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164832255 720462598 /nfs/dbraw/zinc/46/25/98/720462598.db2.gz RXEZUYZAHKQGRS-GOSISDBHSA-N 0 0 452.515 2.329 20 5 JEBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164830256 720470187 /nfs/dbraw/zinc/47/01/87/720470187.db2.gz JXHCEFJYBRVPFS-LJQANCHMSA-N 0 0 479.541 2.238 20 5 JEBDRN O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21)c1ccno1 ZINC001164853467 720906530 /nfs/dbraw/zinc/90/65/30/720906530.db2.gz ATGKJKYADQWOAU-WDMOLILDSA-N 0 0 457.821 2.447 20 5 JEBDRN CNC(=O)[C@]12CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866470 721202682 /nfs/dbraw/zinc/20/26/82/721202682.db2.gz BBESDFVCOXHGEO-KBXCAEBGSA-N 0 0 467.864 2.200 20 5 JEBDRN O=C(NCc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)c1ccno1 ZINC001164769357 721268534 /nfs/dbraw/zinc/26/85/34/721268534.db2.gz XZFDYMUZIPSWGD-UHFFFAOYSA-N 0 0 453.793 2.323 20 5 JEBDRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)c1ccnnc1 ZINC001164874668 721320364 /nfs/dbraw/zinc/32/03/64/721320364.db2.gz DPYVEEAQKNCNLY-PJODQICGSA-N 0 0 468.848 2.392 20 5 JEBDRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)c1ccnnc1 ZINC001164878447 721321251 /nfs/dbraw/zinc/32/12/51/721321251.db2.gz OFLGZIAXCYRCGQ-IUIKQTSFSA-N 0 0 468.848 2.392 20 5 JEBDRN CCOC(=O)c1nc(Cl)nc(N2CCCn3c(CN(C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165008113 721695596 /nfs/dbraw/zinc/69/55/96/721695596.db2.gz IMKHIJDSBRTADM-UHFFFAOYSA-N 0 0 452.903 2.057 20 5 JEBDRN O=C([C@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)N1CCOCC1 ZINC001165019596 721774488 /nfs/dbraw/zinc/77/44/88/721774488.db2.gz WOZNQKGRRDCFLV-QAPCUYQASA-N 0 0 460.865 2.422 20 5 JEBDRN O=C([C@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)N1CCOCC1 ZINC001165014889 721775176 /nfs/dbraw/zinc/77/51/76/721775176.db2.gz GWKBBTIDBQPDOX-KDOFPFPSSA-N 0 0 460.865 2.422 20 5 JEBDRN O=C([C@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)N1CCOCC1 ZINC001165020334 721775246 /nfs/dbraw/zinc/77/52/46/721775246.db2.gz XRPQWHGARUOKOI-QAPCUYQASA-N 0 0 460.865 2.422 20 5 JEBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946022 721976445 /nfs/dbraw/zinc/97/64/45/721976445.db2.gz ILJZSIPFVJVBCQ-UHFFFAOYSA-N 0 0 453.499 2.138 20 5 JEBDRN Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)CC[C@H]32)cn1 ZINC001164956149 722030391 /nfs/dbraw/zinc/03/03/91/722030391.db2.gz CHTGDOKHZCRXFB-XPKDYRNWSA-N 0 0 470.864 2.193 20 5 JEBDRN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC[C@H]23)cn1 ZINC001164962614 722031136 /nfs/dbraw/zinc/03/11/36/722031136.db2.gz YANGIJKXGQEPIA-NOLJZWGESA-N 0 0 470.864 2.193 20 5 JEBDRN O=C([C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2)N1CCOCC1 ZINC001164962388 722044639 /nfs/dbraw/zinc/04/46/39/722044639.db2.gz OSPPVRYDJUVNKF-ZDUSSCGKSA-N 0 0 460.865 2.422 20 5 JEBDRN Cn1ccnc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164981944 722092693 /nfs/dbraw/zinc/09/26/93/722092693.db2.gz POWAGVSJVTVIRR-JTNHKYCSSA-N 0 0 456.837 2.088 20 5 JEBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165007189 722266057 /nfs/dbraw/zinc/26/60/57/722266057.db2.gz PWFWXHLIOGDMHW-JOCHJYFZSA-N 0 0 457.462 2.233 20 5 JEBDRN COCCN1CCN(C)C2(CCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC2)C1=O ZINC001164640812 719277798 /nfs/dbraw/zinc/27/77/98/719277798.db2.gz PSYNUEGGJXNAEE-UHFFFAOYSA-N 0 0 454.531 2.120 20 5 JEBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164701669 719869165 /nfs/dbraw/zinc/86/91/65/719869165.db2.gz GNHOGGWHGNGEMN-QFYYESIMSA-N 0 0 467.832 2.290 20 5 JEBDRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001164701626 719882004 /nfs/dbraw/zinc/88/20/04/719882004.db2.gz NYKIRCRAXVJKMG-KGYLQXTDSA-N 0 0 454.821 2.316 20 5 JEBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164708640 719936636 /nfs/dbraw/zinc/93/66/36/719936636.db2.gz OARIDFBSDUWQQJ-UHFFFAOYSA-N 0 0 469.933 2.480 20 5 JEBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164710646 720050243 /nfs/dbraw/zinc/05/02/43/720050243.db2.gz FZBHONRJUZLXEI-DJSGYFEHSA-N 0 0 468.848 2.392 20 5 JEBDRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164822677 720442656 /nfs/dbraw/zinc/44/26/56/720442656.db2.gz GAFIQAZTBPVYOT-HNNXBMFYSA-N 0 0 487.948 2.378 20 5 JEBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164824142 720449303 /nfs/dbraw/zinc/44/93/03/720449303.db2.gz MRQYKVAIMSUFGZ-CYBMUJFWSA-N 0 0 471.345 2.483 20 5 JEBDRN O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]12)c1ccno1 ZINC001164863763 720904627 /nfs/dbraw/zinc/90/46/27/720904627.db2.gz YXDHGYGHWOJLOS-HCKVZZMMSA-N 0 0 457.821 2.447 20 5 JEBDRN O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12)c1ccno1 ZINC001164853464 720906734 /nfs/dbraw/zinc/90/67/34/720906734.db2.gz ATGKJKYADQWOAU-GYSYKLTISA-N 0 0 457.821 2.447 20 5 JEBDRN CNC(=O)[C@@]12CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866472 721203111 /nfs/dbraw/zinc/20/31/11/721203111.db2.gz BBESDFVCOXHGEO-KSSFIOAISA-N 0 0 467.864 2.200 20 5 JEBDRN O=C(NCc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)c1ccno1 ZINC001164767048 721268451 /nfs/dbraw/zinc/26/84/51/721268451.db2.gz QRRDPULLRUGXHM-UHFFFAOYSA-N 0 0 453.793 2.323 20 5 JEBDRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)c1ccnnc1 ZINC001164874669 721320486 /nfs/dbraw/zinc/32/04/86/721320486.db2.gz DPYVEEAQKNCNLY-SGIREYDYSA-N 0 0 468.848 2.392 20 5 JEBDRN O=C(COC[C@]12COC[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)N1CCCC1 ZINC001164873899 721334648 /nfs/dbraw/zinc/33/46/48/721334648.db2.gz DKYRMYAXGMOFOB-UGSOOPFHSA-N 0 0 460.865 2.280 20 5 JEBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164913015 721771554 /nfs/dbraw/zinc/77/15/54/721771554.db2.gz SYRUDYYXXXRZDC-LJQANCHMSA-N 0 0 466.951 2.263 20 5 JEBDRN O=C([C@@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)N1CCOCC1 ZINC001165019598 721774521 /nfs/dbraw/zinc/77/45/21/721774521.db2.gz WOZNQKGRRDCFLV-YJBOKZPZSA-N 0 0 460.865 2.422 20 5 JEBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164924439 721830156 /nfs/dbraw/zinc/83/01/56/721830156.db2.gz WEKAZTFDYYCKPN-OAQYLSRUSA-N 0 0 477.543 2.039 20 5 JEBDRN COc1cc(OC)nc(CN2CCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC2)n1 ZINC001165029175 721849260 /nfs/dbraw/zinc/84/92/60/721849260.db2.gz GQFPANCFKWSXKF-UHFFFAOYSA-N 0 0 451.487 2.490 20 5 JEBDRN COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1[N+](=O)[O-] ZINC001164985377 722177856 /nfs/dbraw/zinc/17/78/56/722177856.db2.gz HKCHFSZDWOETFT-KGLIPLIRSA-N 0 0 482.950 2.460 20 5 JEBDRN COc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc(OC)c1[N+](=O)[O-] ZINC001164989106 722181546 /nfs/dbraw/zinc/18/15/46/722181546.db2.gz LGLFNCJXHBFFAC-LSDHHAIUSA-N 0 0 450.521 2.037 20 5 JEBDRN O=C(NC[C@H]1Cn2ccnc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)c1ccnnc1 ZINC001165002458 722240973 /nfs/dbraw/zinc/24/09/73/722240973.db2.gz DHEFLXXWDSJFFZ-LBPRGKRZSA-N 0 0 478.847 2.241 20 5 JEBDRN O=C(NC[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)c1ccnnc1 ZINC001165002451 722240996 /nfs/dbraw/zinc/24/09/96/722240996.db2.gz DHEFLXXWDSJFFZ-GFCCVEGCSA-N 0 0 478.847 2.241 20 5 JEBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164709495 719904965 /nfs/dbraw/zinc/90/49/65/719904965.db2.gz WLXREWYWXXKXJZ-UHFFFAOYSA-N 0 0 469.933 2.480 20 5 JEBDRN Cc1ccc(-c2ccc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)nn2)cc1[N+](=O)[O-] ZINC001164708255 719917280 /nfs/dbraw/zinc/91/72/80/719917280.db2.gz GNNWPKCZHDSFKC-UHFFFAOYSA-N 0 0 476.541 2.044 20 5 JEBDRN O=C(NC[C@H]1CC[C@]2(COCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)O1)c1cnccn1 ZINC001164820861 720271933 /nfs/dbraw/zinc/27/19/33/720271933.db2.gz YFUYBRFKBMQXNH-YJYMSZOUSA-N 0 0 498.874 2.163 20 5 JEBDRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164832241 720467809 /nfs/dbraw/zinc/46/78/09/720467809.db2.gz RQTUPWCYTAFNDQ-SFHVURJKSA-N 0 0 452.515 2.329 20 5 JEBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164832593 720482882 /nfs/dbraw/zinc/48/28/82/720482882.db2.gz JWCKGGJXNKBPLH-GOSISDBHSA-N 0 0 452.515 2.329 20 5 JEBDRN O=c1cc(Cn2ccnc2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164856927 720895516 /nfs/dbraw/zinc/89/55/16/720895516.db2.gz IDRCVKPFFFQMNZ-UHFFFAOYSA-N 0 0 451.821 2.400 20 5 JEBDRN O=C1COC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)CN1c1cncnc1 ZINC001164864469 721037867 /nfs/dbraw/zinc/03/78/67/721037867.db2.gz ZXASJFTYRYFMQW-UHFFFAOYSA-N 0 0 454.821 2.381 20 5 JEBDRN O=C1COC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)CN1c1cncnc1 ZINC001164862671 721038157 /nfs/dbraw/zinc/03/81/57/721038157.db2.gz OGYHFCQLQCGDCO-UHFFFAOYSA-N 0 0 454.821 2.381 20 5 JEBDRN CNC(=O)[C@@]12CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871752 721201009 /nfs/dbraw/zinc/20/10/09/721201009.db2.gz ZUHPEVKODVXHRK-KSSFIOAISA-N 0 0 467.864 2.200 20 5 JEBDRN CNC(=O)[C@]12CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871744 721201406 /nfs/dbraw/zinc/20/14/06/721201406.db2.gz ZUHPEVKODVXHRK-KBXCAEBGSA-N 0 0 467.864 2.200 20 5 JEBDRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)c1ccnnc1 ZINC001164878451 721321702 /nfs/dbraw/zinc/32/17/02/721321702.db2.gz OFLGZIAXCYRCGQ-UVBJJODRSA-N 0 0 468.848 2.392 20 5 JEBDRN O=C(COC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)N1CCCC1 ZINC001164874140 721334316 /nfs/dbraw/zinc/33/43/16/721334316.db2.gz GPLGFEDYDMPIOX-FZKQIMNGSA-N 0 0 460.865 2.280 20 5 JEBDRN O=C([C@H]1C[C@]2(CO1)CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)N1CCOCC1 ZINC001165020326 721775420 /nfs/dbraw/zinc/77/54/20/721775420.db2.gz XRPQWHGARUOKOI-CRAIPNDOSA-N 0 0 460.865 2.422 20 5 JEBDRN CSc1nc(Cl)nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164916426 721784756 /nfs/dbraw/zinc/78/47/56/721784756.db2.gz QVEHQKMPAHBATI-IBGZPJMESA-N 0 0 466.951 2.263 20 5 JEBDRN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC[C@@H]23)cn1 ZINC001164962612 722031056 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