smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164721286 720283035 /nfs/dbraw/zinc/28/30/35/720283035.db2.gz JBNWZIAPRBOJGV-DPVXCJKMSA-N 1 1 432.525 1.187 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738836 720820334 /nfs/dbraw/zinc/82/03/34/720820334.db2.gz GZXIOFKCEGKZCQ-HYVNUMGLSA-N 1 1 428.453 1.869 20 5 IDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744005 720828866 /nfs/dbraw/zinc/82/88/66/720828866.db2.gz TWPVOVHEADVXEL-IXDOHACOSA-N 1 1 428.497 1.673 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164855339 720835585 /nfs/dbraw/zinc/83/55/85/720835585.db2.gz UBQSVWVXOWZMHU-OLZOCXBDSA-N 1 1 443.888 1.388 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164892239 721399097 /nfs/dbraw/zinc/39/90/97/721399097.db2.gz SGRYTRPQOHSQRC-LAUBAEHRSA-N 1 1 433.509 1.542 20 5 IDBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164888713 721445804 /nfs/dbraw/zinc/44/58/04/721445804.db2.gz AOSLODNAXGOOMM-HTAPYJJXSA-N 1 1 447.536 1.932 20 5 IDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804463 721553262 /nfs/dbraw/zinc/55/32/62/721553262.db2.gz JSMZXTPUPVAXTM-VYDXJSESSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804463 721553265 /nfs/dbraw/zinc/55/32/65/721553265.db2.gz JSMZXTPUPVAXTM-VYDXJSESSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804470 721553326 /nfs/dbraw/zinc/55/33/26/721553326.db2.gz JSMZXTPUPVAXTM-ZOBUZTSGSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804470 721553328 /nfs/dbraw/zinc/55/33/28/721553328.db2.gz JSMZXTPUPVAXTM-ZOBUZTSGSA-N 1 1 430.465 1.665 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976239 722155498 /nfs/dbraw/zinc/15/54/98/722155498.db2.gz VPPLSMRGTAAZPQ-ZWKOTPCHSA-N 1 1 441.492 1.774 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974651 722157444 /nfs/dbraw/zinc/15/74/44/722157444.db2.gz ORBHCRULZWLGIX-QFBILLFUSA-N 1 1 427.461 1.899 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC001164681728 719700963 /nfs/dbraw/zinc/70/09/63/719700963.db2.gz ADDQRRBQSNDVKL-UHFFFAOYSA-N 1 1 440.888 1.396 20 5 IDBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700663 719855362 /nfs/dbraw/zinc/85/53/62/719855362.db2.gz ISPMYTLLFDLNJY-LHSJRXKWSA-N 1 1 445.476 1.779 20 5 IDBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700667 719855390 /nfs/dbraw/zinc/85/53/90/719855390.db2.gz ISPMYTLLFDLNJY-SPLOXXLWSA-N 1 1 445.476 1.779 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813839 720229165 /nfs/dbraw/zinc/22/91/65/720229165.db2.gz PXJBSYTVUNSBBN-UHFFFAOYSA-N 1 1 444.492 1.974 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164834964 720542427 /nfs/dbraw/zinc/54/24/27/720542427.db2.gz GCQWDALIYAAMHD-BZUAXINKSA-N 1 1 431.497 1.976 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738311 720620624 /nfs/dbraw/zinc/62/06/24/720620624.db2.gz BUJSQGLHKVXQTK-NWDGAFQWSA-N 1 1 449.855 1.347 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164742692 720827705 /nfs/dbraw/zinc/82/77/05/720827705.db2.gz QOQDPMUMNCLBNP-HRCADAONSA-N 1 1 444.496 1.373 20 5 IDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737745 720831643 /nfs/dbraw/zinc/83/16/43/720831643.db2.gz CKCSWGKMPWJQNP-OWCLPIDISA-N 1 1 433.900 1.853 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164855334 720835622 /nfs/dbraw/zinc/83/56/22/720835622.db2.gz UBQSVWVXOWZMHU-CHWSQXEVSA-N 1 1 443.888 1.388 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752033 720860354 /nfs/dbraw/zinc/86/03/54/720860354.db2.gz SSKNEMOLHOYYDQ-JFIYKMOQSA-N 1 1 441.492 1.747 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164769377 721078943 /nfs/dbraw/zinc/07/89/43/721078943.db2.gz ONWOHRLNPJKQKH-KBPBESRZSA-N 1 1 449.899 1.907 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164768251 721091984 /nfs/dbraw/zinc/09/19/84/721091984.db2.gz MPKRKAILKHWPKY-QWHCGFSZSA-N 1 1 435.872 1.517 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164980557 722108830 /nfs/dbraw/zinc/10/88/30/722108830.db2.gz RTXOHZPVHSIBQZ-VQIMIIECSA-N 1 1 427.461 1.899 20 5 IDBDMO COCCN1CCN(C)C2(CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164640976 719279880 /nfs/dbraw/zinc/27/98/80/719279880.db2.gz RBDADPLANGFJMA-YVMONPNESA-N 1 1 432.525 1.282 20 5 IDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737743 720831427 /nfs/dbraw/zinc/83/14/27/720831427.db2.gz CKCSWGKMPWJQNP-BZUAXINKSA-N 1 1 433.900 1.853 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740511 720833684 /nfs/dbraw/zinc/83/36/84/720833684.db2.gz CEGWGZDENQGQOF-SOLBZPMBSA-N 1 1 441.492 1.747 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164848541 720836936 /nfs/dbraw/zinc/83/69/36/720836936.db2.gz AFKUJKJIBQILIW-ZFWWWQNUSA-N 1 1 442.900 1.993 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752034 720860315 /nfs/dbraw/zinc/86/03/15/720860315.db2.gz SSKNEMOLHOYYDQ-LZLYRXPVSA-N 1 1 441.492 1.747 20 5 IDBDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])[C@@H]2C ZINC001164862672 720934969 /nfs/dbraw/zinc/93/49/69/720934969.db2.gz WUMYALHCCVXDBA-OAHLLOKOSA-N 1 1 429.529 1.412 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164893026 721422513 /nfs/dbraw/zinc/42/25/13/721422513.db2.gz ZWNFRANSKCJUPA-GCJKJVERSA-N 1 1 447.536 1.932 20 5 IDBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164888716 721445430 /nfs/dbraw/zinc/44/54/30/721445430.db2.gz AOSLODNAXGOOMM-JTSKRJEESA-N 1 1 447.536 1.932 20 5 IDBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164888718 721445671 /nfs/dbraw/zinc/44/56/71/721445671.db2.gz AOSLODNAXGOOMM-VGOFRKELSA-N 1 1 447.536 1.932 20 5 IDBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164970895 722116633 /nfs/dbraw/zinc/11/66/33/722116633.db2.gz ALUNLDQTADOQCR-HZPDHXFCSA-N 1 1 430.465 1.524 20 5 IDBDMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164707601 719866892 /nfs/dbraw/zinc/86/68/92/719866892.db2.gz UELIPSULWCEMIV-TXFNUUKDSA-N 1 1 433.509 1.755 20 5 IDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164726438 720307701 /nfs/dbraw/zinc/30/77/01/720307701.db2.gz YVDVAVAMGXZSDC-FQEVSTJZSA-N 1 1 448.911 1.856 20 5 IDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164726438 720307708 /nfs/dbraw/zinc/30/77/08/720307708.db2.gz YVDVAVAMGXZSDC-FQEVSTJZSA-N 1 1 448.911 1.856 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751266 720813964 /nfs/dbraw/zinc/81/39/64/720813964.db2.gz XSMDQKHJZJADGF-HHXXYDBFSA-N 1 1 441.492 1.747 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164742693 720827949 /nfs/dbraw/zinc/82/79/49/720827949.db2.gz QOQDPMUMNCLBNP-OWCLPIDISA-N 1 1 444.496 1.373 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752035 720860574 /nfs/dbraw/zinc/86/05/74/720860574.db2.gz SSKNEMOLHOYYDQ-SOLBZPMBSA-N 1 1 441.492 1.747 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867044 721062165 /nfs/dbraw/zinc/06/21/65/721062165.db2.gz HCKZLBNCHBMTHR-KGLIPLIRSA-N 1 1 448.867 1.700 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867046 721062651 /nfs/dbraw/zinc/06/26/51/721062651.db2.gz HCKZLBNCHBMTHR-ZIAGYGMSSA-N 1 1 448.867 1.700 20 5 IDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC001164868556 721268279 /nfs/dbraw/zinc/26/82/79/721268279.db2.gz BWDQWUFQRQAXEB-UHFFFAOYSA-N 1 1 447.323 1.699 20 5 IDBDMO CC(C)Oc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ccc1[N+](=O)[O-] ZINC001164877563 721286638 /nfs/dbraw/zinc/28/66/38/721286638.db2.gz NTARJMVSEWZGDA-UHFFFAOYSA-N 1 1 435.525 1.784 20 5 IDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(OC)c1[N+](=O)[O-] ZINC001164891015 721410095 /nfs/dbraw/zinc/41/00/95/721410095.db2.gz UXJWLMXIARYWHW-QRWLVFNGSA-N 1 1 436.513 1.167 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164883661 721417877 /nfs/dbraw/zinc/41/78/77/721417877.db2.gz BQQHYWQEHOCWBU-HRAATJIYSA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974646 722157311 /nfs/dbraw/zinc/15/73/11/722157311.db2.gz ORBHCRULZWLGIX-APWZRJJASA-N 1 1 427.461 1.899 20 5 IDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)C2)C1 ZINC001164720088 720252892 /nfs/dbraw/zinc/25/28/92/720252892.db2.gz RFJDBSCVUSCUOA-OAQYLSRUSA-N 1 1 444.492 1.211 20 5 IDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)C2)C1 ZINC001164720088 720252901 /nfs/dbraw/zinc/25/29/01/720252901.db2.gz RFJDBSCVUSCUOA-OAQYLSRUSA-N 1 1 444.492 1.211 20 5 IDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164720509 720282458 /nfs/dbraw/zinc/28/24/58/720282458.db2.gz AEQGCRBKBQQOBQ-JOCHJYFZSA-N 1 1 440.504 1.717 20 5 IDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164720509 720282474 /nfs/dbraw/zinc/28/24/74/720282474.db2.gz AEQGCRBKBQQOBQ-JOCHJYFZSA-N 1 1 440.504 1.717 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738317 720621965 /nfs/dbraw/zinc/62/19/65/720621965.db2.gz BUJSQGLHKVXQTK-VXGBXAGGSA-N 1 1 449.855 1.347 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742982 720627399 /nfs/dbraw/zinc/62/73/99/720627399.db2.gz NWPUXFDNJSRASM-CHWSQXEVSA-N 1 1 448.867 1.952 20 5 IDBDMO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164869002 721268126 /nfs/dbraw/zinc/26/81/26/721268126.db2.gz IUINQXDEOBNQQV-UHFFFAOYSA-N 1 1 425.917 1.959 20 5 IDBDMO CN(C)/C=C/c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164875600 721283195 /nfs/dbraw/zinc/28/31/95/721283195.db2.gz XMVRLWDTLJIPDO-VMPITWQZSA-N 1 1 446.552 1.529 20 5 IDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(OC)c1[N+](=O)[O-] ZINC001164891018 721410200 /nfs/dbraw/zinc/41/02/00/721410200.db2.gz UXJWLMXIARYWHW-YWZLYKJASA-N 1 1 436.513 1.167 20 5 IDBDMO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899075 721518749 /nfs/dbraw/zinc/51/87/49/721518749.db2.gz JXLJOIIWHJYNSM-WMZOPIPTSA-N 1 1 443.483 1.275 20 5 IDBDMO COc1cc(OC)nc(CN2CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)n1 ZINC001165029196 721850040 /nfs/dbraw/zinc/85/00/40/721850040.db2.gz HBONONGQMWSUJA-AATRIKPKSA-N 1 1 429.481 1.652 20 5 IDBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164970894 722116244 /nfs/dbraw/zinc/11/62/44/722116244.db2.gz ALUNLDQTADOQCR-HOTGVXAUSA-N 1 1 430.465 1.524 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976236 722155686 /nfs/dbraw/zinc/15/56/86/722155686.db2.gz VPPLSMRGTAAZPQ-MSOLQXFVSA-N 1 1 441.492 1.774 20 5 IDBDMO COCCN1CC[N@H+](C)C2(CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)C1=O ZINC001164644098 719284834 /nfs/dbraw/zinc/28/48/34/719284834.db2.gz CQOHCLNEQHWUJW-UHFFFAOYSA-N 1 1 448.911 1.951 20 5 IDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)C1=O ZINC001164644098 719284835 /nfs/dbraw/zinc/28/48/35/719284835.db2.gz CQOHCLNEQHWUJW-UHFFFAOYSA-N 1 1 448.911 1.951 20 5 IDBDMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164707602 719866807 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COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164892242 721399667 /nfs/dbraw/zinc/39/96/67/721399667.db2.gz SGRYTRPQOHSQRC-UWJYYQICSA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889715 721452476 /nfs/dbraw/zinc/45/24/76/721452476.db2.gz PMDLNLZXLRLDFS-IERDGZPVSA-N 1 1 433.509 1.542 20 5 IDBDMO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899070 721519005 /nfs/dbraw/zinc/51/90/05/721519005.db2.gz JXLJOIIWHJYNSM-SJLPKXTDSA-N 1 1 443.483 1.275 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806320 721589924 /nfs/dbraw/zinc/58/99/24/721589924.db2.gz MYEHMSHVRSTIML-JENIJYKNSA-N 1 1 441.492 1.915 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806320 721589926 /nfs/dbraw/zinc/58/99/26/721589926.db2.gz MYEHMSHVRSTIML-JENIJYKNSA-N 1 1 441.492 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1.545 20 5 IDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])C3)O2)CC1 ZINC001164885111 721422085 /nfs/dbraw/zinc/42/20/85/721422085.db2.gz FNMVTBSUDLNNJG-APWZRJJASA-N 1 1 425.917 1.647 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164893030 721422921 /nfs/dbraw/zinc/42/29/21/721422921.db2.gz ZWNFRANSKCJUPA-PGRDOPGGSA-N 1 1 447.536 1.932 20 5 IDBDMO CCOC(=O)c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001165001489 722239055 /nfs/dbraw/zinc/23/90/55/722239055.db2.gz GZHUVMLGEYLCQB-UHFFFAOYSA-N 1 1 441.492 1.314 20 5 IDBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164665813 719464639 /nfs/dbraw/zinc/46/46/39/719464639.db2.gz BOVHZDPBUAWQIP-UONOGXRCSA-N 1 1 429.506 1.980 20 5 IDBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700668 719855470 /nfs/dbraw/zinc/85/54/70/719855470.db2.gz ISPMYTLLFDLNJY-SZNDQCEHSA-N 1 1 445.476 1.779 20 5 IDBDMO COC(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164813540 720226300 /nfs/dbraw/zinc/22/63/00/720226300.db2.gz OBGCKIRCHLMWTI-UHFFFAOYSA-N 1 1 430.465 1.584 20 5 IDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164719827 720231452 /nfs/dbraw/zinc/23/14/52/720231452.db2.gz PJLBCWZATOUFEA-HXUWFJFHSA-N 1 1 448.911 1.856 20 5 IDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164719827 720231461 /nfs/dbraw/zinc/23/14/61/720231461.db2.gz PJLBCWZATOUFEA-HXUWFJFHSA-N 1 1 448.911 1.856 20 5 IDBDMO CCOC(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164818247 720243827 /nfs/dbraw/zinc/24/38/27/720243827.db2.gz XOOJNUSATSLABK-UHFFFAOYSA-N 1 1 444.492 1.974 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738835 720820411 /nfs/dbraw/zinc/82/04/11/720820411.db2.gz GZXIOFKCEGKZCQ-DJIMGWMZSA-N 1 1 428.453 1.869 20 5 IDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(OC)c1[N+](=O)[O-] ZINC001164891010 721410527 /nfs/dbraw/zinc/41/05/27/721410527.db2.gz UXJWLMXIARYWHW-FOIQADDNSA-N 1 1 436.513 1.167 20 5 IDBDMO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899063 721519060 /nfs/dbraw/zinc/51/90/60/721519060.db2.gz JXLJOIIWHJYNSM-AEFFLSMTSA-N 1 1 443.483 1.275 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806315 721589938 /nfs/dbraw/zinc/58/99/38/721589938.db2.gz MYEHMSHVRSTIML-AOIWGVFYSA-N 1 1 441.492 1.915 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806315 721589939 /nfs/dbraw/zinc/58/99/39/721589939.db2.gz MYEHMSHVRSTIML-AOIWGVFYSA-N 1 1 441.492 1.915 20 5 IDBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164970897 722116513 /nfs/dbraw/zinc/11/65/13/722116513.db2.gz ALUNLDQTADOQCR-JKSUJKDBSA-N 1 1 430.465 1.524 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164982025 722124385 /nfs/dbraw/zinc/12/43/85/722124385.db2.gz VTQIHUOGMOXPEP-SJLPKXTDSA-N 1 1 427.461 1.899 20 5 IDBDMO CN(C)/C=C\c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001165001857 722237009 /nfs/dbraw/zinc/23/70/09/722237009.db2.gz NMSBRQOFJTVBPX-DAXSKMNVSA-N 1 1 438.536 1.669 20 5 IDBDMO CC(C)Oc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1[N+](=O)[O-] ZINC001165002202 722238348 /nfs/dbraw/zinc/23/83/48/722238348.db2.gz QYGOPDBJMMBWOI-UHFFFAOYSA-N 1 1 427.509 1.924 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738834 720820199 /nfs/dbraw/zinc/82/01/99/720820199.db2.gz GZXIOFKCEGKZCQ-BHYGNILZSA-N 1 1 428.453 1.869 20 5 IDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737742 720831573 /nfs/dbraw/zinc/83/15/73/720831573.db2.gz CKCSWGKMPWJQNP-ARFHVFGLSA-N 1 1 433.900 1.853 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740512 720833471 /nfs/dbraw/zinc/83/34/71/720833471.db2.gz CEGWGZDENQGQOF-XYJFISCASA-N 1 1 441.492 1.747 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164867045 721062427 /nfs/dbraw/zinc/06/24/27/721062427.db2.gz HCKZLBNCHBMTHR-UONOGXRCSA-N 1 1 448.867 1.700 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164769384 721079375 /nfs/dbraw/zinc/07/93/75/721079375.db2.gz ONWOHRLNPJKQKH-UONOGXRCSA-N 1 1 449.899 1.907 20 5 IDBDMO CN(C)/C=C\c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164875603 721283512 /nfs/dbraw/zinc/28/35/12/721283512.db2.gz XMVRLWDTLJIPDO-YVMONPNESA-N 1 1 446.552 1.529 20 5 IDBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164891114 721415328 /nfs/dbraw/zinc/41/53/28/721415328.db2.gz VHBUFBDIPRMGPF-DNVCBOLYSA-N 1 1 425.917 1.647 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164883665 721418193 /nfs/dbraw/zinc/41/81/93/721418193.db2.gz BQQHYWQEHOCWBU-KKSFZXQISA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889719 721452883 /nfs/dbraw/zinc/45/28/83/721452883.db2.gz PMDLNLZXLRLDFS-KKSFZXQISA-N 1 1 433.509 1.542 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806325 721589612 /nfs/dbraw/zinc/58/96/12/721589612.db2.gz MYEHMSHVRSTIML-LNLFQRSKSA-N 1 1 441.492 1.915 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806325 721589614 /nfs/dbraw/zinc/58/96/14/721589614.db2.gz MYEHMSHVRSTIML-LNLFQRSKSA-N 1 1 441.492 1.915 20 5 IDBDMO COc1cc(OC)nc(CN2CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC2)n1 ZINC001165029199 721849844 /nfs/dbraw/zinc/84/98/44/721849844.db2.gz HBONONGQMWSUJA-WAYWQWQTSA-N 1 1 429.481 1.652 20 5 IDBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164970892 722116657 /nfs/dbraw/zinc/11/66/57/722116657.db2.gz ALUNLDQTADOQCR-CVEARBPZSA-N 1 1 430.465 1.524 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974654 722156862 /nfs/dbraw/zinc/15/68/62/722156862.db2.gz ORBHCRULZWLGIX-VQIMIIECSA-N 1 1 427.461 1.899 20 5 IDBDMO COCCN1CCN(C)C2(CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164640972 719279892 /nfs/dbraw/zinc/27/98/92/719279892.db2.gz RBDADPLANGFJMA-VMPITWQZSA-N 1 1 432.525 1.282 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164817061 720244910 /nfs/dbraw/zinc/24/49/10/720244910.db2.gz OQGMIDIICRIXTI-UHFFFAOYSA-N 1 1 444.496 1.459 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164834965 720541541 /nfs/dbraw/zinc/54/15/41/720541541.db2.gz GCQWDALIYAAMHD-HRCADAONSA-N 1 1 431.497 1.976 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751267 720813739 /nfs/dbraw/zinc/81/37/39/720813739.db2.gz XSMDQKHJZJADGF-KVSKMBFKSA-N 1 1 441.492 1.747 20 5 IDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737744 720831361 /nfs/dbraw/zinc/83/13/61/720831361.db2.gz CKCSWGKMPWJQNP-HRCADAONSA-N 1 1 433.900 1.853 20 5 IDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)C1 ZINC001164877718 721291554 /nfs/dbraw/zinc/29/15/54/721291554.db2.gz OGHBFNNIWXTUMZ-UHFFFAOYSA-N 1 1 428.493 1.545 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892122 721388089 /nfs/dbraw/zinc/38/80/89/721388089.db2.gz RRNXCXDJORMDSA-UWJYYQICSA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164883664 721418353 /nfs/dbraw/zinc/41/83/53/721418353.db2.gz BQQHYWQEHOCWBU-IIBYNOLFSA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164883663 721418371 /nfs/dbraw/zinc/41/83/71/721418371.db2.gz BQQHYWQEHOCWBU-IERDGZPVSA-N 1 1 433.509 1.542 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890383 721450110 /nfs/dbraw/zinc/45/01/10/721450110.db2.gz RIMDPBCQXPPWDK-UWJYYQICSA-N 1 1 447.540 1.417 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806331 721589645 /nfs/dbraw/zinc/58/96/45/721589645.db2.gz MYEHMSHVRSTIML-ZIFCJYIRSA-N 1 1 441.492 1.915 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806331 721589646 /nfs/dbraw/zinc/58/96/46/721589646.db2.gz MYEHMSHVRSTIML-ZIFCJYIRSA-N 1 1 441.492 1.915 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974648 722157345 /nfs/dbraw/zinc/15/73/45/722157345.db2.gz ORBHCRULZWLGIX-LPHOPBHVSA-N 1 1 427.461 1.899 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164976263 722159190 /nfs/dbraw/zinc/15/91/90/722159190.db2.gz WJXXDDZVKXXEAK-LPHOPBHVSA-N 1 1 425.493 1.194 20 5 IDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744002 720828855 /nfs/dbraw/zinc/82/88/55/720828855.db2.gz TWPVOVHEADVXEL-GVDBMIGSSA-N 1 1 428.497 1.673 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164848539 720836466 /nfs/dbraw/zinc/83/64/66/720836466.db2.gz AFKUJKJIBQILIW-UKRRQHHQSA-N 1 1 442.900 1.993 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164848537 720836749 /nfs/dbraw/zinc/83/67/49/720836749.db2.gz AFKUJKJIBQILIW-HIFRSBDPSA-N 1 1 442.900 1.993 20 5 IDBDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])[C@H]2C ZINC001164862670 720934593 /nfs/dbraw/zinc/93/45/93/720934593.db2.gz WUMYALHCCVXDBA-HNNXBMFYSA-N 1 1 429.529 1.412 20 5 IDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001164870266 721271451 /nfs/dbraw/zinc/27/14/51/721271451.db2.gz VADABTATKUHIRX-UHFFFAOYSA-N 1 1 428.493 1.545 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164892241 721399763 /nfs/dbraw/zinc/39/97/63/721399763.db2.gz SGRYTRPQOHSQRC-UTKZUKDTSA-N 1 1 433.509 1.542 20 5 IDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164891115 721415880 /nfs/dbraw/zinc/41/58/80/721415880.db2.gz VHBUFBDIPRMGPF-HNAYVOBHSA-N 1 1 425.917 1.647 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164893033 721422746 /nfs/dbraw/zinc/42/27/46/721422746.db2.gz ZWNFRANSKCJUPA-XMSQKQJNSA-N 1 1 447.536 1.932 20 5 IDBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164888720 721445641 /nfs/dbraw/zinc/44/56/41/721445641.db2.gz AOSLODNAXGOOMM-VGSWGCGISA-N 1 1 447.536 1.932 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890382 721450441 /nfs/dbraw/zinc/45/04/41/721450441.db2.gz RIMDPBCQXPPWDK-UTKZUKDTSA-N 1 1 447.540 1.417 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889717 721452749 /nfs/dbraw/zinc/45/27/49/721452749.db2.gz PMDLNLZXLRLDFS-IIBYNOLFSA-N 1 1 433.509 1.542 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164980551 722108665 /nfs/dbraw/zinc/10/86/65/722108665.db2.gz RTXOHZPVHSIBQZ-LPHOPBHVSA-N 1 1 427.461 1.899 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164982026 722124537 /nfs/dbraw/zinc/12/45/37/722124537.db2.gz VTQIHUOGMOXPEP-WMZOPIPTSA-N 1 1 427.461 1.899 20 5 IDBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700665 719855557 /nfs/dbraw/zinc/85/55/57/719855557.db2.gz ISPMYTLLFDLNJY-QKKBWIMNSA-N 1 1 445.476 1.779 20 5 IDBDMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164707600 719867069 /nfs/dbraw/zinc/86/70/69/719867069.db2.gz UELIPSULWCEMIV-PQGDUDRBSA-N 1 1 433.509 1.755 20 5 IDBDMO COc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(OC)c1[N+](=O)[O-] ZINC001164811909 720222670 /nfs/dbraw/zinc/22/26/70/720222670.db2.gz AEWDMQCLRGQDJR-UHFFFAOYSA-N 1 1 433.469 1.209 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164816284 720248541 /nfs/dbraw/zinc/24/85/41/720248541.db2.gz HJEHHWBDOBJATI-UHFFFAOYSA-N 1 1 430.465 1.584 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164834966 720541849 /nfs/dbraw/zinc/54/18/49/720541849.db2.gz GCQWDALIYAAMHD-OWCLPIDISA-N 1 1 431.497 1.976 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740508 720833753 /nfs/dbraw/zinc/83/37/53/720833753.db2.gz CEGWGZDENQGQOF-JFIYKMOQSA-N 1 1 441.492 1.747 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164855345 720835431 /nfs/dbraw/zinc/83/54/31/720835431.db2.gz UBQSVWVXOWZMHU-STQMWFEESA-N 1 1 443.888 1.388 20 5 IDBDMO Cc1cc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1Cl ZINC001164868518 721269061 /nfs/dbraw/zinc/26/90/61/721269061.db2.gz AFDZAACSDPCVHS-UHFFFAOYSA-N 1 1 425.917 1.959 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875636 721279105 /nfs/dbraw/zinc/27/91/05/721279105.db2.gz YGMIYDHVRICSKS-UHFFFAOYSA-N 1 1 449.508 1.174 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890379 721450041 /nfs/dbraw/zinc/45/00/41/721450041.db2.gz RIMDPBCQXPPWDK-DYESRHJHSA-N 1 1 447.540 1.417 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1C1C[NH2+]C1 ZINC001164966375 722062381 /nfs/dbraw/zinc/06/23/81/722062381.db2.gz RRJXXKLVXVOQMG-UHFFFAOYSA-N 1 1 439.520 1.586 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164980549 722108888 /nfs/dbraw/zinc/10/88/88/722108888.db2.gz RTXOHZPVHSIBQZ-APWZRJJASA-N 1 1 427.461 1.899 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164982024 722124186 /nfs/dbraw/zinc/12/41/86/722124186.db2.gz VTQIHUOGMOXPEP-FUHWJXTLSA-N 1 1 427.461 1.899 20 5 IDBDMO COC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164982022 722124505 /nfs/dbraw/zinc/12/45/05/722124505.db2.gz VTQIHUOGMOXPEP-AEFFLSMTSA-N 1 1 427.461 1.899 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976237 722155217 /nfs/dbraw/zinc/15/52/17/722155217.db2.gz VPPLSMRGTAAZPQ-QZTJIDSGSA-N 1 1 441.492 1.774 20 5 IDBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164834962 720541740 /nfs/dbraw/zinc/54/17/40/720541740.db2.gz GCQWDALIYAAMHD-ARFHVFGLSA-N 1 1 431.497 1.976 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738314 720622755 /nfs/dbraw/zinc/62/27/55/720622755.db2.gz BUJSQGLHKVXQTK-RYUDHWBXSA-N 1 1 449.855 1.347 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751269 720813853 /nfs/dbraw/zinc/81/38/53/720813853.db2.gz XSMDQKHJZJADGF-VDZJLULYSA-N 1 1 441.492 1.747 20 5 IDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752036 720860736 /nfs/dbraw/zinc/86/07/36/720860736.db2.gz SSKNEMOLHOYYDQ-XYJFISCASA-N 1 1 441.492 1.747 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164768244 721091477 /nfs/dbraw/zinc/09/14/77/721091477.db2.gz MPKRKAILKHWPKY-CHWSQXEVSA-N 1 1 435.872 1.517 20 5 IDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164768248 721092101 /nfs/dbraw/zinc/09/21/01/721092101.db2.gz MPKRKAILKHWPKY-OLZOCXBDSA-N 1 1 435.872 1.517 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164892117 721388149 /nfs/dbraw/zinc/38/81/49/721388149.db2.gz RRNXCXDJORMDSA-DYESRHJHSA-N 1 1 433.509 1.542 20 5 IDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])C3)O2)CC1 ZINC001164885113 721422001 /nfs/dbraw/zinc/42/20/01/721422001.db2.gz FNMVTBSUDLNNJG-QFBILLFUSA-N 1 1 425.917 1.647 20 5 IDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])C3)O2)CC1 ZINC001164885112 721422170 /nfs/dbraw/zinc/42/21/70/721422170.db2.gz FNMVTBSUDLNNJG-LPHOPBHVSA-N 1 1 425.917 1.647 20 5 IDBDMO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899066 721518875 /nfs/dbraw/zinc/51/88/75/721518875.db2.gz JXLJOIIWHJYNSM-FUHWJXTLSA-N 1 1 443.483 1.275 20 5 IDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804460 721553039 /nfs/dbraw/zinc/55/30/39/721553039.db2.gz JSMZXTPUPVAXTM-HLLBOEOZSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804460 721553040 /nfs/dbraw/zinc/55/30/40/721553040.db2.gz JSMZXTPUPVAXTM-HLLBOEOZSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(OC)c1[N+](=O)[O-] ZINC001164964650 722055559 /nfs/dbraw/zinc/05/55/59/722055559.db2.gz WJWQKUAXZJVNIM-UHFFFAOYSA-N 1 1 444.492 1.916 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976238 722155696 /nfs/dbraw/zinc/15/56/96/722155696.db2.gz VPPLSMRGTAAZPQ-ROUUACIJSA-N 1 1 441.492 1.774 20 5 IDBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164665811 719465242 /nfs/dbraw/zinc/46/52/42/719465242.db2.gz BOVHZDPBUAWQIP-KGLIPLIRSA-N 1 1 429.506 1.980 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738308 720620799 /nfs/dbraw/zinc/62/07/99/720620799.db2.gz BUJSQGLHKVXQTK-NEPJUHHUSA-N 1 1 449.855 1.347 20 5 IDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751268 720814065 /nfs/dbraw/zinc/81/40/65/720814065.db2.gz XSMDQKHJZJADGF-SZVBFZGTSA-N 1 1 441.492 1.747 20 5 IDBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164769388 721078785 /nfs/dbraw/zinc/07/87/85/721078785.db2.gz ONWOHRLNPJKQKH-ZIAGYGMSSA-N 1 1 449.899 1.907 20 5 IDBDMO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164877974 721290449 /nfs/dbraw/zinc/29/04/49/721290449.db2.gz QGQAGOSUJQLSAM-UHFFFAOYSA-N 1 1 449.508 1.174 20 5 IDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C3)O2)CC1 ZINC001164891118 721415678 /nfs/dbraw/zinc/41/56/78/721415678.db2.gz VHBUFBDIPRMGPF-KXBFYZLASA-N 1 1 425.917 1.647 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164893023 721422878 /nfs/dbraw/zinc/42/28/78/721422878.db2.gz ZWNFRANSKCJUPA-AVRDEDQJSA-N 1 1 447.536 1.932 20 5 IDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890380 721450221 /nfs/dbraw/zinc/45/02/21/721450221.db2.gz RIMDPBCQXPPWDK-LAUBAEHRSA-N 1 1 447.540 1.417 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164976278 722158605 /nfs/dbraw/zinc/15/86/05/722158605.db2.gz WJXXDDZVKXXEAK-VQIMIIECSA-N 1 1 425.493 1.194 20 5 IDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996393 722235762 /nfs/dbraw/zinc/23/57/62/722235762.db2.gz FQIPYBXLFYCSBF-UHFFFAOYSA-N 1 1 441.492 1.314 20 5 IDBDMO CN(C)/C=C/c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001165001859 722236945 /nfs/dbraw/zinc/23/69/45/722236945.db2.gz NMSBRQOFJTVBPX-QPJJXVBHSA-N 1 1 438.536 1.669 20 5 IDBDMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164634730 719271453 /nfs/dbraw/zinc/27/14/53/719271453.db2.gz NAKNXMALRFQBME-UHFFFAOYSA-N 1 1 448.911 1.951 20 5 IDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164634730 719271460 /nfs/dbraw/zinc/27/14/60/719271460.db2.gz NAKNXMALRFQBME-UHFFFAOYSA-N 1 1 448.911 1.951 20 5 IDBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164665805 719465432 /nfs/dbraw/zinc/46/54/32/719465432.db2.gz BOVHZDPBUAWQIP-KBPBESRZSA-N 1 1 429.506 1.980 20 5 IDBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164665815 719465902 /nfs/dbraw/zinc/46/59/02/719465902.db2.gz BOVHZDPBUAWQIP-ZIAGYGMSSA-N 1 1 429.506 1.980 20 5 IDBDMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164707599 719866993 /nfs/dbraw/zinc/86/69/93/719866993.db2.gz UELIPSULWCEMIV-LQCVIVONSA-N 1 1 433.509 1.755 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742988 720627279 /nfs/dbraw/zinc/62/72/79/720627279.db2.gz NWPUXFDNJSRASM-STQMWFEESA-N 1 1 448.867 1.952 20 5 IDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742984 720628723 /nfs/dbraw/zinc/62/87/23/720628723.db2.gz NWPUXFDNJSRASM-OLZOCXBDSA-N 1 1 448.867 1.952 20 5 IDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741940 720836761 /nfs/dbraw/zinc/83/67/61/720836761.db2.gz GDHRFSFVOSWFIT-HYVNUMGLSA-N 1 1 433.900 1.853 20 5 IDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741941 720836954 /nfs/dbraw/zinc/83/69/54/720836954.db2.gz GDHRFSFVOSWFIT-USXIJHARSA-N 1 1 433.900 1.853 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164892237 721399182 /nfs/dbraw/zinc/39/91/82/721399182.db2.gz SGRYTRPQOHSQRC-DYESRHJHSA-N 1 1 433.509 1.542 20 5 IDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(OC)c1[N+](=O)[O-] ZINC001164891012 721410211 /nfs/dbraw/zinc/41/02/11/721410211.db2.gz UXJWLMXIARYWHW-MGPUTAFESA-N 1 1 436.513 1.167 20 5 IDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804467 721553201 /nfs/dbraw/zinc/55/32/01/721553201.db2.gz JSMZXTPUPVAXTM-YQQAZPJKSA-N 1 1 430.465 1.665 20 5 IDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804467 721553207 /nfs/dbraw/zinc/55/32/07/721553207.db2.gz JSMZXTPUPVAXTM-YQQAZPJKSA-N 1 1 430.465 1.665 20 5 IDBDMO COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164980553 722108779 /nfs/dbraw/zinc/10/87/79/722108779.db2.gz RTXOHZPVHSIBQZ-QFBILLFUSA-N 1 1 427.461 1.899 20 5 IDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164976262 722158793 /nfs/dbraw/zinc/15/87/93/722158793.db2.gz WJXXDDZVKXXEAK-APWZRJJASA-N 1 1 425.493 1.194 20 5 IDBDMO