smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCOCC(F)F ZINC001067389267 837455764 /nfs/dbraw/zinc/45/57/64/837455764.db2.gz WISDPPOGGNJRAY-GHMZBOCLSA-N 0 1 351.350 0.630 20 5 FCBDMN COCc1ncsc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389503 837456260 /nfs/dbraw/zinc/45/62/60/837456260.db2.gz AXCOEEZGCBALKM-ZYHUDNBSSA-N 0 1 370.431 0.875 20 5 FCBDMN Cc1nn(C)c(F)c1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389025 837456333 /nfs/dbraw/zinc/45/63/33/837456333.db2.gz PBGSXVJJOVUFNJ-GHMZBOCLSA-N 0 1 355.370 0.453 20 5 FCBDMN COc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001067391752 837456911 /nfs/dbraw/zinc/45/69/11/837456911.db2.gz ARYNVSNOWCDBAO-CHWSQXEVSA-N 0 1 350.375 0.676 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCn1ccnn1 ZINC001067389807 837457014 /nfs/dbraw/zinc/45/70/14/837457014.db2.gz QARVZGNHCYKHMU-CHWSQXEVSA-N 0 1 352.395 0.030 20 5 FCBDMN CCc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001067391874 837457468 /nfs/dbraw/zinc/45/74/68/837457468.db2.gz KQUMRYWFFBNIJI-TZMCWYRMSA-N 0 1 351.407 0.568 20 5 FCBDMN CC(C)(C)/C=C/C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395205 837495090 /nfs/dbraw/zinc/49/50/90/837495090.db2.gz SPVVMEQAMJLTJS-IJWDBEHRSA-N 0 1 351.403 0.694 20 5 FCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)Cc2ccon2)CC1 ZINC001069264427 837526611 /nfs/dbraw/zinc/52/66/11/837526611.db2.gz AMPFIOXALKVVEG-CHWSQXEVSA-N 0 1 350.375 0.770 20 5 FCBDMN CCC1(NC(=O)C2=CCOCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367788 837527855 /nfs/dbraw/zinc/52/78/55/837527855.db2.gz AAGLFTBPRHQUFV-ZIAGYGMSSA-N 0 1 351.403 0.886 20 5 FCBDMN O=C(NCc1cnn2c1CN(Cc1ccns1)CC2)[C@@H]1CC1[N+](=O)[O-] ZINC001069861018 837538782 /nfs/dbraw/zinc/53/87/82/837538782.db2.gz SLIRKEIWURVFEY-CHWSQXEVSA-N 0 1 362.415 0.637 20 5 FCBDMN CC(C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1)=C1CCC1 ZINC001070109691 837618515 /nfs/dbraw/zinc/61/85/15/837618515.db2.gz JLDLMBPROMDAPO-ZIAGYGMSSA-N 0 1 351.403 0.934 20 5 FCBDMN Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)o1 ZINC001070113161 837619208 /nfs/dbraw/zinc/61/92/08/837619208.db2.gz JKLXMEFSKSZNAH-VXGBXAGGSA-N 0 1 351.359 0.648 20 5 FCBDMN Cc1ncoc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113335 837619304 /nfs/dbraw/zinc/61/93/04/837619304.db2.gz RVMABRDHHDNBNC-GHMZBOCLSA-N 0 1 352.347 0.043 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1)c1ccc(F)s1 ZINC001070114483 837619770 /nfs/dbraw/zinc/61/97/70/837619770.db2.gz RYMSFDAOBKEANN-NXEZZACHSA-N 0 1 371.390 0.948 20 5 FCBDMN C=C/C(C)=C\CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070201862 837633503 /nfs/dbraw/zinc/63/35/03/837633503.db2.gz UTPQIMXMCNHKBO-RHHBVARJSA-N 0 1 351.403 0.956 20 5 FCBDMN CCOCCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013874 837752400 /nfs/dbraw/zinc/75/24/00/837752400.db2.gz ABVMRTZVDFEEFH-CHWSQXEVSA-N 0 1 357.407 0.202 20 5 FCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCOCC2CC2)CC1 ZINC001073029304 837752595 /nfs/dbraw/zinc/75/25/95/837752595.db2.gz SOUJAGPBUQAYHK-ZIAGYGMSSA-N 0 1 353.419 0.966 20 5 FCBDMN CC(C)CCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001073532108 837774106 /nfs/dbraw/zinc/77/41/06/837774106.db2.gz CHHXVKKHUHENEN-HUUCEWRRSA-N 0 1 352.435 0.443 20 5 FCBDMN COCCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC001074330891 837793656 /nfs/dbraw/zinc/79/36/56/837793656.db2.gz VSZBPMSYYPFZCT-LXTVHRRPSA-N 0 1 353.419 0.775 20 5 FCBDMN CC(C)(C)/C=C\C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074520424 837801680 /nfs/dbraw/zinc/80/16/80/837801680.db2.gz VSRCIDHZDGILSI-DIABFLQPSA-N 0 1 353.419 0.724 20 5 FCBDMN Cc1cc[nH]c1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074569859 837805138 /nfs/dbraw/zinc/80/51/38/837805138.db2.gz VTAVDLYCVIEXIY-VXGBXAGGSA-N 0 1 350.375 0.072 20 5 FCBDMN Cc1nc(C(=O)N2CCC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001074686422 837826040 /nfs/dbraw/zinc/82/60/40/837826040.db2.gz HLZROGKABNSIBQ-ZYHUDNBSSA-N 0 1 368.415 0.200 20 5 FCBDMN Cc1csc(=O)n1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989050 836745920 /nfs/dbraw/zinc/74/59/20/836745920.db2.gz MDKPXHFGDXECNH-GHMZBOCLSA-N 0 1 368.415 0.039 20 5 FCBDMN CCc1nnsc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989279 836747386 /nfs/dbraw/zinc/74/73/86/836747386.db2.gz XNSURIOFFQSPRW-PSASIEDQSA-N 0 1 353.404 0.534 20 5 FCBDMN CCc1noc(C)c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063016845 836748301 /nfs/dbraw/zinc/74/83/01/836748301.db2.gz FCHVHTRBBLCCAW-ZYHUDNBSSA-N 0 1 350.375 0.979 20 5 FCBDMN O=C(COC1CCOCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064623127 836806071 /nfs/dbraw/zinc/80/60/71/836806071.db2.gz PJPRAEPNPLTWLX-CHWSQXEVSA-N 0 1 355.391 0.002 20 5 FCBDMN CCCNC(=O)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079744254 839582771 /nfs/dbraw/zinc/58/27/71/839582771.db2.gz YPBYHIZKBXFPHC-CHWSQXEVSA-N 0 1 354.407 0.017 20 5 FCBDMN Cc1ccc(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001080686376 839777187 /nfs/dbraw/zinc/77/71/87/839777187.db2.gz IGEPYNWDHDJDFP-VXGBXAGGSA-N 0 1 367.427 0.805 20 5 FCBDMN O=C(Cc1cccs1)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080683641 839777653 /nfs/dbraw/zinc/77/76/53/839777653.db2.gz BAUHKMDCQYZVSZ-CHWSQXEVSA-N 0 1 367.427 0.426 20 5 FCBDMN C/C(=C/C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001080748416 839789599 /nfs/dbraw/zinc/78/95/99/839789599.db2.gz DYUWVZQPGHYQSQ-RDNHTORASA-N 0 1 351.403 0.478 20 5 FCBDMN O=C(CCC(F)(F)F)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080793522 839801216 /nfs/dbraw/zinc/80/12/16/839801216.db2.gz VBCCDVCPMLDIKG-NXEZZACHSA-N 0 1 367.324 0.464 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccoc1Cl ZINC001080835149 839804958 /nfs/dbraw/zinc/80/49/58/839804958.db2.gz FZRPOEPZFZWJEU-GHMZBOCLSA-N 0 1 371.777 0.682 20 5 FCBDMN Cc1occc1C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080855724 839809888 /nfs/dbraw/zinc/80/98/88/839809888.db2.gz YXMOXUCHMPRNLP-CHWSQXEVSA-N 0 1 351.359 0.337 20 5 FCBDMN CCC(C)(CC)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856800 839810605 /nfs/dbraw/zinc/81/06/05/839810605.db2.gz VDQGMWHOMWQISY-CHWSQXEVSA-N 0 1 355.435 0.948 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1(F)CCCC1 ZINC001080905954 839827613 /nfs/dbraw/zinc/82/76/13/839827613.db2.gz BLFSBJRTTNTMOP-VXGBXAGGSA-N 0 1 357.382 0.404 20 5 FCBDMN CN(Cc1ccsc1)C(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835645 846535901 /nfs/dbraw/zinc/53/59/01/846535901.db2.gz HPKDCXLZZMSHJA-ZIAGYGMSSA-N 0 1 366.443 0.516 20 5 FCBDMN COC[C@]1(C(=O)[O-])CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001119007232 847672065 /nfs/dbraw/zinc/67/20/65/847672065.db2.gz DTSIUHKCGCOUKO-HNNXBMFYSA-N 0 1 372.399 0.792 20 5 FCBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001119007232 847672069 /nfs/dbraw/zinc/67/20/69/847672069.db2.gz DTSIUHKCGCOUKO-HNNXBMFYSA-N 0 1 372.399 0.792 20 5 FCBDMN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cnns2)CC1 ZINC001151121820 849677578 /nfs/dbraw/zinc/67/75/78/849677578.db2.gz UPLCVAAOFQYSIA-CHWSQXEVSA-N 0 1 369.447 0.691 20 5 FCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001154777659 849813234 /nfs/dbraw/zinc/81/32/34/849813234.db2.gz SCXKCSHPVZWEJJ-LLVKDONJSA-N 0 1 368.350 0.943 20 5 FCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC001154777659 849813242 /nfs/dbraw/zinc/81/32/42/849813242.db2.gz SCXKCSHPVZWEJJ-LLVKDONJSA-N 0 1 368.350 0.943 20 5 FCBDMN COC(=O)[C@@H](N)C1CCN(c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1 ZINC001155153827 849834275 /nfs/dbraw/zinc/83/42/75/849834275.db2.gz SBPXUWOEYBMRPM-VIFPVBQESA-N 0 1 355.351 0.119 20 5 FCBDMN COC(=O)c1ccnc(N2CCC([C@@H](N)C(=O)OC)CC2)c1[N+](=O)[O-] ZINC001155160121 849834339 /nfs/dbraw/zinc/83/43/39/849834339.db2.gz QIBUGPDYMFIDRQ-LLVKDONJSA-N 0 1 352.347 0.493 20 5 FCBDMN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncc([N+](=O)[O-])cc1N ZINC001165500259 850444683 /nfs/dbraw/zinc/44/46/83/850444683.db2.gz HQGKLBNJWMMAGH-UHFFFAOYSA-N 0 1 368.375 0.172 20 5 FCBDMN Cc1ncc(CN)c(=N)n1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167674494 850551905 /nfs/dbraw/zinc/55/19/05/850551905.db2.gz SLIHYPDLYKVNMP-UHFFFAOYSA-N 0 1 355.152 0.423 20 5 FCBDMN CS(=O)(=O)N(Cc1noc2c1CNCC2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169022785 850601886 /nfs/dbraw/zinc/60/18/86/850601886.db2.gz SQGSIOZPOLWSGF-QWRGUYRKSA-N 0 1 358.420 0.527 20 5 FCBDMN COC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001226649044 857117744 /nfs/dbraw/zinc/11/77/44/857117744.db2.gz JKXZXYPWBQLYCP-ZQARSLAVSA-N 0 1 352.303 0.060 20 5 FCBDMN COC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001226649044 857117750 /nfs/dbraw/zinc/11/77/50/857117750.db2.gz JKXZXYPWBQLYCP-ZQARSLAVSA-N 0 1 352.303 0.060 20 5 FCBDMN O=C(CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCc1cccs1 ZINC001227258987 857152784 /nfs/dbraw/zinc/15/27/84/857152784.db2.gz ZRMUMUCKMBWUMJ-ZIAGYGMSSA-N 0 1 366.443 0.610 20 5 FCBDMN CN(CC(F)(F)F)C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258323 857152805 /nfs/dbraw/zinc/15/28/05/857152805.db2.gz OADKSWXMPJPWQU-GHMZBOCLSA-N 0 1 366.340 0.253 20 5 FCBDMN CC(C)S(=O)(=O)CCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258136 857153113 /nfs/dbraw/zinc/15/31/13/857153113.db2.gz LIYJYQBOCPHVAY-ZIAGYGMSSA-N 0 1 361.464 0.446 20 5 FCBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC001353316107 867394089 /nfs/dbraw/zinc/39/40/89/867394089.db2.gz MTHSYIWFPIVDJA-CJNGLKHVSA-N 0 1 370.475 0.592 20 5 FCBDMN Cc1c(NC(=O)CCN(C)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001322785009 868944653 /nfs/dbraw/zinc/94/46/53/868944653.db2.gz XMHJHACCLUKUOA-UHFFFAOYSA-N 0 1 358.420 0.713 20 5 FCBDMN C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001573741846 948658278 /nfs/dbraw/zinc/65/82/78/948658278.db2.gz FYZQDVJQCLVWKF-BDAKNGLRSA-N 0 1 357.334 0.805 20 5 FCBDMN COC[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001593966522 956550419 /nfs/dbraw/zinc/55/04/19/956550419.db2.gz LPUWXIGYUALIPK-MRXNPFEDSA-N 0 1 367.358 0.965 20 5 FCBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001593966522 956550424 /nfs/dbraw/zinc/55/04/24/956550424.db2.gz LPUWXIGYUALIPK-MRXNPFEDSA-N 0 1 367.358 0.965 20 5 FCBDMN Cn1cc(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c([N+](=O)[O-])n1 ZINC001605491227 973650661 /nfs/dbraw/zinc/65/06/61/973650661.db2.gz SIYDQKCYEQOOES-JTQLQIEISA-N 0 1 351.363 0.226 20 5 FCBDMN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001604064075 974599405 /nfs/dbraw/zinc/59/94/05/974599405.db2.gz JQWUWDHDBJRHKT-UHFFFAOYSA-N 0 1 373.387 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Cc1nc(C(=O)N2CCOC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cs1 ZINC000965456065 675092197 /nfs/dbraw/zinc/09/21/97/675092197.db2.gz CBEVNNYNFPYSHM-ZYHUDNBSSA-N 0 1 366.399 0.170 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccnn2C(F)F)C1 ZINC000967948112 675166157 /nfs/dbraw/zinc/16/61/57/675166157.db2.gz BZTTVFMMJSJJSH-MWLCHTKSSA-N 0 1 357.317 0.616 20 5 FCBDMN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCN1CCC1 ZINC000861388143 671957816 /nfs/dbraw/zinc/95/78/16/671957816.db2.gz QBLHFUFSQHMVNE-UHFFFAOYSA-N 0 1 357.388 0.512 20 5 FCBDMN CC(C)[C@@H](C(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000861407816 671960313 /nfs/dbraw/zinc/96/03/13/671960313.db2.gz UHOKFSPOQFIOTJ-AWEZNQCLSA-N 0 1 373.431 0.691 20 5 FCBDMN CC(C)OCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001053808901 675998715 /nfs/dbraw/zinc/99/87/15/675998715.db2.gz VBXPCYJUDZYRMD-XLWJZTARSA-N 0 1 353.419 0.962 20 5 FCBDMN CC(C)c1nnc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001001400511 676070817 /nfs/dbraw/zinc/07/08/17/676070817.db2.gz SSQPYZGNINPAAJ-CHWSQXEVSA-N 0 1 350.423 0.922 20 5 FCBDMN CCCn1ncnc1CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399752 676070887 /nfs/dbraw/zinc/07/08/87/676070887.db2.gz NHCIEKJPLWRYCM-ZIAGYGMSSA-N 0 1 350.423 0.682 20 5 FCBDMN O=C(CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001001398112 676070949 /nfs/dbraw/zinc/07/09/49/676070949.db2.gz ZYKLPHAXNHIVKU-VXGBXAGGSA-N 0 1 367.431 0.575 20 5 FCBDMN CCc1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001057543837 676089175 /nfs/dbraw/zinc/08/91/75/676089175.db2.gz ZSGQBBKUUYAROJ-GHMZBOCLSA-N 0 1 370.431 0.230 20 5 FCBDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccsc2[nH]1 ZINC001057544393 676089291 /nfs/dbraw/zinc/08/92/91/676089291.db2.gz BISOUVPLAMFDQV-ZYHUDNBSSA-N 0 1 366.399 0.445 20 5 FCBDMN CCn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001057544858 676089716 /nfs/dbraw/zinc/08/97/16/676089716.db2.gz OHHNOVCVFDJTNY-ZIAGYGMSSA-N 0 1 352.391 0.032 20 5 FCBDMN CCc1cc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001057543498 676089047 /nfs/dbraw/zinc/08/90/47/676089047.db2.gz LCYAXOTZYZWADE-CHWSQXEVSA-N 0 1 353.375 0.366 20 5 FCBDMN CCc1ccsc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057858158 676129171 /nfs/dbraw/zinc/12/91/71/676129171.db2.gz WRGSOYWSEFQJNT-VXGBXAGGSA-N 0 1 355.416 0.526 20 5 FCBDMN Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001058078602 676138411 /nfs/dbraw/zinc/13/84/11/676138411.db2.gz VSLKCKYFCCMRDQ-TZMCWYRMSA-N 0 1 353.350 0.350 20 5 FCBDMN CC(C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001058209719 676141122 /nfs/dbraw/zinc/14/11/22/676141122.db2.gz OTSPQRMKTASQKC-ZIAGYGMSSA-N 0 1 355.435 0.805 20 5 FCBDMN O=C(NCCN(CCO)C(=O)c1cnc(C2CC2)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001058253868 676145378 /nfs/dbraw/zinc/14/53/78/676145378.db2.gz LKWZLKUGYKPAMV-GHMZBOCLSA-N 0 1 368.415 0.236 20 5 FCBDMN COc1ccc(CC(=O)N2CCN(C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000888992402 673667704 /nfs/dbraw/zinc/66/77/04/673667704.db2.gz JYRHBABGGTUVJR-UHFFFAOYSA-N 0 1 350.419 0.852 20 5 FCBDMN O=C(c1csc(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000968999182 675259685 /nfs/dbraw/zinc/25/96/85/675259685.db2.gz YSXQKJSEYWMEHH-PKIKSRDPSA-N 0 1 352.372 0.329 20 5 FCBDMN Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001236 675259704 /nfs/dbraw/zinc/25/97/04/675259704.db2.gz GGLWSIXRKVWXAW-LMLFDSFASA-N 0 1 351.388 0.327 20 5 FCBDMN O=C(c1cnns1)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010653540 675369770 /nfs/dbraw/zinc/36/97/70/675369770.db2.gz UUZJGUXRBQYQBE-NXEZZACHSA-N 0 1 351.388 0.268 20 5 FCBDMN O=C(c1ccns1)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010681427 675370074 /nfs/dbraw/zinc/37/00/74/675370074.db2.gz JTVLJBQINQTITF-GHMZBOCLSA-N 0 1 350.400 0.873 20 5 FCBDMN Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011113002 675373203 /nfs/dbraw/zinc/37/32/03/675373203.db2.gz CFOYEBFVRAKMMI-ZIAGYGMSSA-N 0 1 350.375 0.560 20 5 FCBDMN O=C(c1cnc(C2CC2)s1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114346 675373500 /nfs/dbraw/zinc/37/35/00/675373500.db2.gz FUZRJHPFLKRQSD-GHMZBOCLSA-N 0 1 350.400 0.970 20 5 FCBDMN COc1ncc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1Cl ZINC001011114282 675373648 /nfs/dbraw/zinc/37/36/48/675373648.db2.gz KNVPZDWXWHAXCA-ZYHUDNBSSA-N 0 1 368.777 0.693 20 5 FCBDMN Cc1nn(C)c(Cl)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114435 675373677 /nfs/dbraw/zinc/37/36/77/675373677.db2.gz NCURLMJWOYCRQO-NXEZZACHSA-N 0 1 355.782 0.332 20 5 FCBDMN CCCc1onc(C)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011115720 675373982 /nfs/dbraw/zinc/37/39/82/675373982.db2.gz RYCLOKFOWGFIET-VXGBXAGGSA-N 0 1 350.375 0.885 20 5 FCBDMN Cc1nnsc1C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001013959769 675387304 /nfs/dbraw/zinc/38/73/04/675387304.db2.gz WPYLAARBJRERPH-IVMCCYTASA-N 0 1 365.415 0.669 20 5 FCBDMN COc1cc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)on1 ZINC001018958361 675418759 /nfs/dbraw/zinc/41/87/59/675418759.db2.gz GMEVIWLYNOMADV-NXEZZACHSA-N 0 1 350.331 0.023 20 5 FCBDMN COc1cc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)sn1 ZINC001019068148 675421023 /nfs/dbraw/zinc/42/10/23/675421023.db2.gz GLNCTRJEVQEDCH-NXEZZACHSA-N 0 1 366.399 0.491 20 5 FCBDMN CC(C)(CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(F)(F)F ZINC001042976662 675558145 /nfs/dbraw/zinc/55/81/45/675558145.db2.gz NKBGMRMLDIVZPS-RKDXNWHRSA-N 0 1 367.324 0.320 20 5 FCBDMN O=C(Cc1ccc(Cl)cc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976675 675558179 /nfs/dbraw/zinc/55/81/79/675558179.db2.gz NZPRZFSEIPDSHO-CHWSQXEVSA-N 0 1 367.789 0.237 20 5 FCBDMN O=C(NCC1(O)CN(C(=O)C23CCC(CC2)CC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042978472 675558743 /nfs/dbraw/zinc/55/87/43/675558743.db2.gz MOFSIAYXGGAEMH-LGESCRJUSA-N 0 1 351.403 0.312 20 5 FCBDMN CCc1sc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC001042978026 675558757 /nfs/dbraw/zinc/55/87/57/675558757.db2.gz GVQIEBJSSZWXDN-GHMZBOCLSA-N 0 1 367.427 0.587 20 5 FCBDMN Cc1cc(F)cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042978746 675559050 /nfs/dbraw/zinc/55/90/50/675559050.db2.gz QIAOBNOORNTYRS-CHWSQXEVSA-N 0 1 351.334 0.102 20 5 FCBDMN O=C(NCC1(O)CN(C(=O)c2cscc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042979367 675559174 /nfs/dbraw/zinc/55/91/74/675559174.db2.gz YXJCEFJPGBZHMT-GMSGAONNSA-N 0 1 359.791 0.370 20 5 FCBDMN O=C(CC(C1CC1)C1CC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981145 675559307 /nfs/dbraw/zinc/55/93/07/675559307.db2.gz JCMHHURTOHGXGQ-ZIAGYGMSSA-N 0 1 351.403 0.167 20 5 FCBDMN O=C(NCC1(O)CN(C(=O)c2cc3ccsc3[nH]2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042980851 675559370 /nfs/dbraw/zinc/55/93/70/675559370.db2.gz AUHYULXMJMZPDF-MWLCHTKSSA-N 0 1 364.383 0.198 20 5 FCBDMN Cc1c(F)cccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042981400 675559442 /nfs/dbraw/zinc/55/94/42/675559442.db2.gz PMQYCBPFJZVWSR-DGCLKSJQSA-N 0 1 351.334 0.102 20 5 FCBDMN CCCn1ncnc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436299 675653541 /nfs/dbraw/zinc/65/35/41/675653541.db2.gz PMXCSRGKZFALHT-CHWSQXEVSA-N 0 1 350.423 0.824 20 5 FCBDMN Cc1cc(C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000988470257 1192195463 /nfs/dbraw/zinc/19/54/63/1192195463.db2.gz LCXJZICUQCAMGO-UKRRQHHQSA-N 0 1 363.418 0.704 20 5 FCBDMN CN(CC1CCN(C(=O)Cc2ccnn2C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988521250 1192253813 /nfs/dbraw/zinc/25/38/13/1192253813.db2.gz SIJGLZVBAKXGIZ-HUUCEWRRSA-N 0 1 363.418 0.325 20 5 FCBDMN O=C(c1ccnc2[nH]cnc21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969145824 1167756314 /nfs/dbraw/zinc/75/63/14/1167756314.db2.gz OYKRMRZDMSUTIR-LYIQGSDWSA-N 0 1 370.369 0.439 20 5 FCBDMN CCn1cc(C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000988532428 1192260887 /nfs/dbraw/zinc/26/08/87/1192260887.db2.gz MXYDRPMDYRQYOC-HUUCEWRRSA-N 0 1 363.418 0.879 20 5 FCBDMN CCc1nc[nH]c1C(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988531632 1192262566 /nfs/dbraw/zinc/26/25/66/1192262566.db2.gz KWRRLEKBWVBUKH-TZMCWYRMSA-N 0 1 363.418 0.948 20 5 FCBDMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1cn(C)c(=O)[nH]1 ZINC000988531532 1192263041 /nfs/dbraw/zinc/26/30/41/1192263041.db2.gz JWYSWEXYDVHHKW-DGCLKSJQSA-N 0 1 365.390 0.102 20 5 FCBDMN Cc1nonc1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988625406 1192334172 /nfs/dbraw/zinc/33/41/72/1192334172.db2.gz QUBLHTFVNDHZKE-TZMCWYRMSA-N 0 1 365.390 0.283 20 5 FCBDMN O=C(N[C@H]1C[C@@H](NCc2noc(C3CCOCC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063767 1170549405 /nfs/dbraw/zinc/54/94/05/1170549405.db2.gz LXLKYMWHDAZMKU-YVECIDJPSA-N 0 1 365.390 0.366 20 5 FCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc(-n2cccn2)c1 ZINC000973253103 1182139204 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355.354 0.415 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976477061 1248224697 /nfs/dbraw/zinc/22/46/97/1248224697.db2.gz JRFHVDBVDQJVMW-VVSAWPALSA-N 0 1 355.354 0.415 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc4c(c3)CCOC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976481143 1248226208 /nfs/dbraw/zinc/22/62/08/1248226208.db2.gz GVTSVIVVRAWLRS-UUAJXVIYSA-N 0 1 371.393 0.611 20 5 FCBDMN CN1CCc2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000976483508 1248226394 /nfs/dbraw/zinc/22/63/94/1248226394.db2.gz NFDNVEFYZQWXSS-WDTWZTHCSA-N 0 1 370.409 0.531 20 5 FCBDMN Cc1cccc(OCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000976481444 1248226824 /nfs/dbraw/zinc/22/68/24/1248226824.db2.gz PHWSBVQNMJSHDW-GAGVYUBLSA-N 0 1 359.382 0.612 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccn4ccccc34)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483671 1248226965 /nfs/dbraw/zinc/22/69/65/1248226965.db2.gz 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ZINC001064339430 1254416895 /nfs/dbraw/zinc/41/68/95/1254416895.db2.gz GUDTYIGOXYTYCX-DGCLKSJQSA-N 0 1 362.386 0.784 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnn2c1CCCC2 ZINC001064512235 1254426346 /nfs/dbraw/zinc/42/63/46/1254426346.db2.gz CADYSNHILZJNFB-BXUZGUMPSA-N 0 1 361.402 0.653 20 5 FCBDMN CC(C)OCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001079136337 1255450056 /nfs/dbraw/zinc/45/00/56/1255450056.db2.gz LOHMIRAEHSTYOE-ZIAGYGMSSA-N 0 1 369.418 0.297 20 5 FCBDMN CCOCCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001079137836 1255450452 /nfs/dbraw/zinc/45/04/52/1255450452.db2.gz YZESCDBKYHRXBL-ZIAGYGMSSA-N 0 1 369.418 0.298 20 5 FCBDMN CCN(C(=O)CNC(=O)CC(C)(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079819427 1255619782 /nfs/dbraw/zinc/61/97/82/1255619782.db2.gz UWDPAUGDJIQMIJ-CHWSQXEVSA-N 0 1 368.434 0.263 20 5 FCBDMN CCN(C(=O)CCc1cc(OC)no1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079876493 1255646577 /nfs/dbraw/zinc/64/65/77/1255646577.db2.gz JCPMCSKWKVFAHY-CHWSQXEVSA-N 0 1 366.374 0.340 20 5 FCBDMN CCN(C(=O)CN1CCCCCC1=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080589001 1255944338 /nfs/dbraw/zinc/94/43/38/1255944338.db2.gz GQQVSHVTSLBYSK-ZIAGYGMSSA-N 0 1 366.418 0.114 20 5 FCBDMN CC(=O)NCC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001080633993 1255965587 /nfs/dbraw/zinc/96/55/87/1255965587.db2.gz CHWJGBCDRNIULJ-ZIAGYGMSSA-N 0 1 366.418 0.019 20 5 FCBDMN O=C(/C=C\c1ccco1)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080686410 1255988052 /nfs/dbraw/zinc/98/80/52/1255988052.db2.gz JGHNDXGBGDCAHM-JHZNUDOXSA-N 0 1 363.370 0.428 20 5 FCBDMN Cc1cc(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001080713904 1255997361 /nfs/dbraw/zinc/99/73/61/1255997361.db2.gz IEMYRRUJNPRTPC-ZIAGYGMSSA-N 0 1 365.386 0.645 20 5 FCBDMN CCc1[nH]ccc1C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080841955 1256053345 /nfs/dbraw/zinc/05/33/45/1256053345.db2.gz OZRTZJKXOGICCB-TZMCWYRMSA-N 0 1 364.402 0.326 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC=CCC1 ZINC001080867334 1256064145 /nfs/dbraw/zinc/06/41/45/1256064145.db2.gz AFSCQFDMYXWIIR-HUUCEWRRSA-N 0 1 365.430 0.868 20 5 FCBDMN COc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001313444987 1263319078 /nfs/dbraw/zinc/31/90/78/1263319078.db2.gz OJYJCZMWJPBZIM-HUUCEWRRSA-N 0 1 362.386 0.443 20 5 FCBDMN COCCN1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001324420837 1264642395 /nfs/dbraw/zinc/64/23/95/1264642395.db2.gz UOCSUZHJPNSZLI-CQSZACIVSA-N 0 1 364.402 0.390 20 5 FCBDMN CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1c[nH]nn1 ZINC001576273408 1273075888 /nfs/dbraw/zinc/07/58/88/1273075888.db2.gz AEIPRCOYFVZXNM-MRVPVSSYSA-N 0 1 354.348 0.241 20 5 FCBDMN C[C@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CCN1 ZINC001576768510 1273645079 /nfs/dbraw/zinc/64/50/79/1273645079.db2.gz IWQCNAHGRORVSW-VIFPVBQESA-N 0 1 354.313 0.854 20 5 FCBDMN CS(=O)(=O)c1ccc(C(=O)NCCCCc2cn[nH]n2)c([N+](=O)[O-])c1 ZINC001577111493 1274168462 /nfs/dbraw/zinc/16/84/62/1274168462.db2.gz IMGZLHQASSMHNM-UHFFFAOYSA-N 0 1 367.387 0.869 20 5 FCBDMN Nc1nc(N[C@H]2C[C@H](NC(=O)CCCc3c[nH]nn3)C2)ncc1[N+](=O)[O-] ZINC001577742815 1274820419 /nfs/dbraw/zinc/82/04/19/1274820419.db2.gz IDSJANGAVZXRPD-MGCOHNPYSA-N 0 1 361.366 0.167 20 5 FCBDMN Nc1nc(N[C@H]2C[C@H](NC(=O)CCCc3cnn[nH]3)C2)ncc1[N+](=O)[O-] ZINC001577742815 1274820423 /nfs/dbraw/zinc/82/04/23/1274820423.db2.gz IDSJANGAVZXRPD-MGCOHNPYSA-N 0 1 361.366 0.167 20 5 FCBDMN COC[C@@H]1CNCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001578990147 1276563926 /nfs/dbraw/zinc/56/39/26/1276563926.db2.gz WPLVDIWJERHPSP-AWEZNQCLSA-N 0 1 350.375 0.162 20 5 FCBDMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001603160382 1287317051 /nfs/dbraw/zinc/31/70/51/1287317051.db2.gz HTXFUCPFRWICLQ-UHFFFAOYSA-N 0 1 357.334 0.418 20 5 FCBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001580935817 1279147573 /nfs/dbraw/zinc/14/75/73/1279147573.db2.gz SHVVTGZRKSFJKQ-UHFFFAOYSA-N 0 1 361.297 0.244 20 5 FCBDMN C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589804276 1283018890 /nfs/dbraw/zinc/01/88/90/1283018890.db2.gz GHKSEOPTCBTHGY-VIFPVBQESA-N 0 1 369.407 0.571 20 5 FCBDMN C[C@H](CN1CCN(C)CC1)Nc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589849233 1283085878 /nfs/dbraw/zinc/08/58/78/1283085878.db2.gz MNFDOCJDEOQKSU-SNVBAGLBSA-N 0 1 364.385 0.962 20 5 FCBDMN C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590003335 1283172309 /nfs/dbraw/zinc/17/23/09/1283172309.db2.gz MTQCHAHKFVTVAL-DTWKUNHWSA-N 0 1 368.375 0.309 20 5 FCBDMN C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590196053 1283304506 /nfs/dbraw/zinc/30/45/06/1283304506.db2.gz GHQSIYZDJQCLTB-RKDXNWHRSA-N 0 1 367.391 0.275 20 5 FCBDMN C[C@H]1SCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590339829 1283488771 /nfs/dbraw/zinc/48/87/71/1283488771.db2.gz YUGHQIFEUVLNLB-HTQZYQBOSA-N 0 1 370.416 0.947 20 5 FCBDMN CN(C(=O)Cn1cc(-c2nn[nH]n2)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC001590986347 1284043595 /nfs/dbraw/zinc/04/35/95/1284043595.db2.gz OOZDLFQHRVPKPG-UHFFFAOYSA-N 0 1 355.314 0.600 20 5 FCBDMN CN(c1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001591157546 1284231460 /nfs/dbraw/zinc/23/14/60/1284231460.db2.gz XQXUWCPCUANUTM-BFHYXJOUSA-N 0 1 357.374 0.569 20 5 FCBDMN COc1ccc(C)cc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001591578013 1284748300 /nfs/dbraw/zinc/74/83/00/1284748300.db2.gz WMIJESQHTXBOTO-UHFFFAOYSA-N 0 1 358.318 0.927 20 5 FCBDMN CN(C)c1ncnc(Cl)c1Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001604706280 1287742853 /nfs/dbraw/zinc/74/28/53/1287742853.db2.gz NMNGSNNZBSEDLT-UHFFFAOYSA-N 0 1 350.730 0.529 20 5 FCBDMN CN(CC1(CO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001604723698 1287757998 /nfs/dbraw/zinc/75/79/98/1287757998.db2.gz YGUJNCVQNUIKID-UHFFFAOYSA-N 0 1 368.375 0.168 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NC[C@H]1Cc2ccccc2O1 ZINC001592937451 1285825133 /nfs/dbraw/zinc/82/51/33/1285825133.db2.gz BPHLLDRWRPDWAC-SNVBAGLBSA-N 0 1 370.329 0.091 20 5 FCBDMN O=C(NC1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001592959391 1285844769 /nfs/dbraw/zinc/84/47/69/1285844769.db2.gz DOBGQLOITKWRTG-CHWSQXEVSA-N 0 1 358.358 0.654 20 5 FCBDMN O=C(O[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001593280456 1286063425 /nfs/dbraw/zinc/06/34/25/1286063425.db2.gz IUFTTWOZTLJCEC-IJLUTSLNSA-N 0 1 358.314 0.180 20 5 FCBDMN O=C1CC2(CN1)CCN(Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC001593384954 1286106530 /nfs/dbraw/zinc/10/65/30/1286106530.db2.gz WYBLASVQJAPKEN-UHFFFAOYSA-N 0 1 357.374 0.877 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001593466542 1286171421 /nfs/dbraw/zinc/17/14/21/1286171421.db2.gz RULKAGOSKJCANL-UHFFFAOYSA-N 0 1 374.405 0.861 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC001593466542 1286171425 /nfs/dbraw/zinc/17/14/25/1286171425.db2.gz RULKAGOSKJCANL-UHFFFAOYSA-N 0 1 374.405 0.861 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001593466542 1286171427 /nfs/dbraw/zinc/17/14/27/1286171427.db2.gz RULKAGOSKJCANL-UHFFFAOYSA-N 0 1 374.405 0.861 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC001593466542 1286171430 /nfs/dbraw/zinc/17/14/30/1286171430.db2.gz RULKAGOSKJCANL-UHFFFAOYSA-N 0 1 374.405 0.861 20 5 FCBDMN O=c1c(-c2nn[nH]n2)cn(C[C@@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC001593495042 1286181920 /nfs/dbraw/zinc/18/19/20/1286181920.db2.gz QBXPIAHWLWNAMI-SNVBAGLBSA-N 0 1 358.314 0.505 20 5 FCBDMN Cc1c(NC(=O)CC[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001600032429 1286431769 /nfs/dbraw/zinc/43/17/69/1286431769.db2.gz URKMXEKIPSMCTR-NEPJUHHUSA-N 0 1 351.359 0.999 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600304622 1286475251 /nfs/dbraw/zinc/47/52/51/1286475251.db2.gz BNOHUDQQOQLOIF-CYBMUJFWSA-N 0 1 364.358 0.507 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001600304622 1286475252 /nfs/dbraw/zinc/47/52/52/1286475252.db2.gz BNOHUDQQOQLOIF-CYBMUJFWSA-N 0 1 364.358 0.507 20 5 FCBDMN Cc1nn(CCC(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001600784540 1286544684 /nfs/dbraw/zinc/54/46/84/1286544684.db2.gz ONNRMYNFWGGACC-NSHDSACASA-N 0 1 367.406 0.806 20 5 FCBDMN O=C([O-])C[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001602060548 1286914652 /nfs/dbraw/zinc/91/46/52/1286914652.db2.gz DUGAIOBRTAAEPX-UHFFFAOYSA-N 0 1 360.330 0.018 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001604892012 1287808655 /nfs/dbraw/zinc/80/86/55/1287808655.db2.gz DRPSOBJRSQNRQI-UHFFFAOYSA-N 0 1 365.398 0.516 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001604892012 1287808656 /nfs/dbraw/zinc/80/86/56/1287808656.db2.gz DRPSOBJRSQNRQI-UHFFFAOYSA-N 0 1 365.398 0.516 20 5 FCBDMN Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)ccc1[N+](=O)[O-] ZINC001605662774 1288047717 /nfs/dbraw/zinc/04/77/17/1288047717.db2.gz GBARYIOSKDDJIV-VIFPVBQESA-N 0 1 358.318 0.979 20 5 FCBDMN COC(=O)[C@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC001606425563 1288308023 /nfs/dbraw/zinc/30/80/23/1288308023.db2.gz KYBVPJOLMIJISU-SNVBAGLBSA-N 0 1 352.347 0.537 20 5 FCBDMN COC(=O)[C@H]1CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001606425563 1288308032 /nfs/dbraw/zinc/30/80/32/1288308032.db2.gz KYBVPJOLMIJISU-SNVBAGLBSA-N 0 1 352.347 0.537 20 5 FCBDMN COC(=O)c1cc(C)nc(N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001606540645 1288374064 /nfs/dbraw/zinc/37/40/64/1288374064.db2.gz ZVYIPJRBIZAPMW-JTQLQIEISA-N 0 1 352.347 0.537 20 5 FCBDMN O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccnc2-c2nn[nH]n2)cs1 ZINC001607079937 1288650930 /nfs/dbraw/zinc/65/09/30/1288650930.db2.gz PPYBZIJHPSSXJA-UHFFFAOYSA-N 0 1 354.329 0.999 20 5 FCBDMN O=[N+]([O-])c1cnc(NCCn2cnc(-c3nn[nH]n3)n2)c(C(F)(F)F)c1 ZINC001607086821 1288653589 /nfs/dbraw/zinc/65/35/89/1288653589.db2.gz SAWLBUUXARTSDS-UHFFFAOYSA-N 0 1 370.255 0.892 20 5 FCBDMN Nc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510804 1289189748 /nfs/dbraw/zinc/18/97/48/1289189748.db2.gz HWNCWJZHFAZZEF-UONOGXRCSA-N 0 1 374.405 0.393 20 5 FCBDMN Nc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510804 1289189752 /nfs/dbraw/zinc/18/97/52/1289189752.db2.gz HWNCWJZHFAZZEF-UONOGXRCSA-N 0 1 374.405 0.393 20 5 FCBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001609637724 1289270037 /nfs/dbraw/zinc/27/00/37/1289270037.db2.gz JMNBPTGTKOUIDA-VXGBXAGGSA-N 0 1 350.375 0.870 20 5 FCBDMN 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COLZZSTWVRXWCV-AWEZNQCLSA-N 0 1 370.431 0.474 20 5 FCBDMN COc1cc(CCNC(=O)NC[C@@H]2COCCN2)c([N+](=O)[O-])cc1OC ZINC000599911140 492217003 /nfs/dbraw/zinc/21/70/03/492217003.db2.gz UHDNKTOIADEDBC-GFCCVEGCSA-N 0 1 368.390 0.442 20 5 FCBDMN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599936801 492218799 /nfs/dbraw/zinc/21/87/99/492218799.db2.gz BZTBTFOLKJKSMO-YPMHNXCESA-N 0 1 363.370 0.647 20 5 FCBDMN COC1CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000610573623 492252792 /nfs/dbraw/zinc/25/27/92/492252792.db2.gz AJSIBPVGMPNTFE-UHFFFAOYSA-N 0 1 358.420 0.765 20 5 FCBDMN COCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC000610896789 492266816 /nfs/dbraw/zinc/26/68/16/492266816.db2.gz IOZPKULKKLSYSQ-UHFFFAOYSA-N 0 1 353.331 0.926 20 5 FCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nnc2n1CCOC2 ZINC000619500857 492266986 /nfs/dbraw/zinc/26/69/86/492266986.db2.gz HVVXOKBHEAXSCQ-UHFFFAOYSA-N 0 1 357.323 0.334 20 5 FCBDMN CCn1cc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])n1 ZINC000611105300 492278195 /nfs/dbraw/zinc/27/81/95/492278195.db2.gz SAERRPSWZCSRDZ-UHFFFAOYSA-N 0 1 357.436 0.964 20 5 FCBDMN COCCNC(=O)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000611553662 492290000 /nfs/dbraw/zinc/29/00/00/492290000.db2.gz IKLNHJZTLGNGAM-UHFFFAOYSA-N 0 1 351.359 0.915 20 5 FCBDMN Cc1nc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000266255908 534389614 /nfs/dbraw/zinc/38/96/14/534389614.db2.gz YNEZDCIQKZPPMK-UHFFFAOYSA-N 0 1 356.316 0.536 20 5 FCBDMN O=C(NC1CCN(C(=O)c2cnn(C(F)F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948013990 674370334 /nfs/dbraw/zinc/37/03/34/674370334.db2.gz SUNMGXAFERTRAY-GHMZBOCLSA-N 0 1 357.317 0.664 20 5 FCBDMN Cc1cc(CCC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000948308736 674375205 /nfs/dbraw/zinc/37/52/05/674375205.db2.gz VGUBQNGQSKTDEY-ZIAGYGMSSA-N 0 1 350.375 0.688 20 5 FCBDMN COc1ccc(NC(=O)C(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425824266 536730449 /nfs/dbraw/zinc/73/04/49/536730449.db2.gz XZVFQPQTJJAEQB-VIFPVBQESA-N 0 1 360.330 0.676 20 5 FCBDMN O=C([O-])[C@@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000551995608 546538426 /nfs/dbraw/zinc/53/84/26/546538426.db2.gz ZXHLHPZEVUGYDA-KGLIPLIRSA-N 0 1 369.399 0.658 20 5 FCBDMN Cn1ccnc1[C@H]1OCCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769876 547007941 /nfs/dbraw/zinc/00/79/41/547007941.db2.gz AUMIGRNBGCNRFH-JQWIXIFHSA-N 0 1 367.387 0.922 20 5 FCBDMN O=C(NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc(F)nc1 ZINC000948927790 674390222 /nfs/dbraw/zinc/39/02/22/674390222.db2.gz GZPMQHITNNQCCE-CHWSQXEVSA-N 0 1 350.350 0.854 20 5 FCBDMN Cn1cc(Cl)c(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000948982055 674391364 /nfs/dbraw/zinc/39/13/64/674391364.db2.gz YJABONNNPJBVAT-ZYHUDNBSSA-N 0 1 369.809 0.707 20 5 FCBDMN COc1nc(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000949186920 674396811 /nfs/dbraw/zinc/39/68/11/674396811.db2.gz XWDIJCBJRWRAHK-ZYHUDNBSSA-N 0 1 352.347 0.317 20 5 FCBDMN O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000823650809 599255463 /nfs/dbraw/zinc/25/54/63/599255463.db2.gz BBXFXXCKVGIRJY-LBPRGKRZSA-N 0 1 360.378 0.471 20 5 FCBDMN O=[N+]([O-])c1cc(N2CC[C@H](CN3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC000823634807 607347313 /nfs/dbraw/zinc/34/73/13/607347313.db2.gz MJRXAHHRVUDDSZ-GFCCVEGCSA-N 0 1 359.390 0.933 20 5 FCBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C[C@H](C)O ZINC000736410640 598501853 /nfs/dbraw/zinc/50/18/53/598501853.db2.gz ZEPQWIYYBYCJRN-QWRGUYRKSA-N 0 1 362.394 0.451 20 5 FCBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C[C@H](C)O ZINC000736410640 598501855 /nfs/dbraw/zinc/50/18/55/598501855.db2.gz ZEPQWIYYBYCJRN-QWRGUYRKSA-N 0 1 362.394 0.451 20 5 FCBDMN CN(C(=O)c1cncc(F)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953858303 674485383 /nfs/dbraw/zinc/48/53/83/674485383.db2.gz OUOIGQYNLYTVPL-ZIAGYGMSSA-N 0 1 350.350 0.949 20 5 FCBDMN C[C@@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451122 601814211 /nfs/dbraw/zinc/81/42/11/601814211.db2.gz SHIZYYFAIQMISG-ZWNOBZJWSA-N 0 1 362.342 0.973 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2csc(C3CC3)n2)C1 ZINC000954242793 674492902 /nfs/dbraw/zinc/49/29/02/674492902.db2.gz WQYRSLHNFUHDMJ-ZYHUDNBSSA-N 0 1 350.400 0.969 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2csc3nccn23)C1 ZINC000954242510 674492934 /nfs/dbraw/zinc/49/29/34/674492934.db2.gz RQJSBPHHVDLYOD-VXGBXAGGSA-N 0 1 363.399 0.273 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2nc3cccnc3s2)C1 ZINC000954242585 674493063 /nfs/dbraw/zinc/49/30/63/674493063.db2.gz UZBGRRHJVDNSLM-MWLCHTKSSA-N 0 1 361.383 0.639 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2CC3(C2)CCOCC3)C1 ZINC000954239979 674492660 /nfs/dbraw/zinc/49/26/60/674492660.db2.gz JLFPWQASGCEZEI-ZIAGYGMSSA-N 0 1 351.403 0.528 20 5 FCBDMN COc1ncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1Cl ZINC000954435630 674497653 /nfs/dbraw/zinc/49/76/53/674497653.db2.gz PMBSPSFHXLFJJQ-ZYHUDNBSSA-N 0 1 368.777 0.692 20 5 FCBDMN CCc1[nH]nc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC000954557285 674499319 /nfs/dbraw/zinc/49/93/19/674499319.db2.gz DKHWXMHPLKXWSP-PSASIEDQSA-N 0 1 355.782 0.574 20 5 FCBDMN CN(C(=O)c1nc2cccnc2s1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954549925 674499348 /nfs/dbraw/zinc/49/93/48/674499348.db2.gz SEZFMXTVSNPGSF-MWLCHTKSSA-N 0 1 361.383 0.639 20 5 FCBDMN CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)COC1 ZINC000824824343 607614638 /nfs/dbraw/zinc/61/46/38/607614638.db2.gz VERWLZHHQUOSRJ-UHFFFAOYSA-N 0 1 354.348 0.090 20 5 FCBDMN COc1nc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000956370771 674521956 /nfs/dbraw/zinc/52/19/56/674521956.db2.gz JOONQMCFWVCWQM-MWLCHTKSSA-N 0 1 352.347 0.459 20 5 FCBDMN CC(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824235055 607628958 /nfs/dbraw/zinc/62/89/58/607628958.db2.gz BAKIAYPGPLCSGM-VIFPVBQESA-N 0 1 370.391 0.460 20 5 FCBDMN CC(C)(C)[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824071228 607635149 /nfs/dbraw/zinc/63/51/49/607635149.db2.gz HCSDQLXYYXQMPB-JTQLQIEISA-N 0 1 370.391 0.460 20 5 FCBDMN CC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825115442 607641828 /nfs/dbraw/zinc/64/18/28/607641828.db2.gz YUYMBSVJEAIPQH-MRVPVSSYSA-N 0 1 356.364 0.214 20 5 FCBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC000824641065 607648385 /nfs/dbraw/zinc/64/83/85/607648385.db2.gz RVJIBULTOPJLRT-DTWKUNHWSA-N 0 1 368.375 0.478 20 5 FCBDMN CC(C)[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824190866 607650024 /nfs/dbraw/zinc/65/00/24/607650024.db2.gz ANMUNTNMLGVUPF-SECBINFHSA-N 0 1 370.391 0.460 20 5 FCBDMN C[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824406397 607655492 /nfs/dbraw/zinc/65/54/92/607655492.db2.gz IYTBGPCMFQLNOT-MRVPVSSYSA-N 0 1 356.364 0.072 20 5 FCBDMN CC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824844118 607671960 /nfs/dbraw/zinc/67/19/60/607671960.db2.gz QAIDLUDWCGOWSZ-UHFFFAOYSA-N 0 1 368.375 0.310 20 5 FCBDMN C[NH+](C)CCOC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821587392 606709856 /nfs/dbraw/zinc/70/98/56/606709856.db2.gz VHKVZVNGYQYLDX-UHFFFAOYSA-N 0 1 362.394 0.717 20 5 FCBDMN C[NH+](C)CCOC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821587392 606709858 /nfs/dbraw/zinc/70/98/58/606709858.db2.gz VHKVZVNGYQYLDX-UHFFFAOYSA-N 0 1 362.394 0.717 20 5 FCBDMN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820769034 606730488 /nfs/dbraw/zinc/73/04/88/606730488.db2.gz QTJXCDUMQCSPTN-BDAKNGLRSA-N 0 1 368.375 0.573 20 5 FCBDMN C[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820814891 606730861 /nfs/dbraw/zinc/73/08/61/606730861.db2.gz YVSZOIAXSUUEFU-MRVPVSSYSA-N 0 1 354.348 0.184 20 5 FCBDMN CO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821679960 606733032 /nfs/dbraw/zinc/73/30/32/606733032.db2.gz UPPYMYVXVIDSCP-SECBINFHSA-N 0 1 368.375 0.574 20 5 FCBDMN CCOCCN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821377858 606734982 /nfs/dbraw/zinc/73/49/82/606734982.db2.gz GTTHMUJUUZTIAA-UHFFFAOYSA-N 0 1 370.391 0.822 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826500101 607937902 /nfs/dbraw/zinc/93/79/02/607937902.db2.gz LBOJAZPCYYRAQR-SCZZXKLOSA-N 0 1 368.375 0.214 20 5 FCBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cn1cnc(-c3nn[nH]n3)n1)CC2 ZINC000826272985 608592552 /nfs/dbraw/zinc/59/25/52/608592552.db2.gz KDAMCSNTLCYGPU-UHFFFAOYSA-N 0 1 355.318 0.264 20 5 FCBDMN C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824891956 608756555 /nfs/dbraw/zinc/75/65/55/608756555.db2.gz CWRUAQUVSXHIAQ-DTWKUNHWSA-N 0 1 368.375 0.621 20 5 FCBDMN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)c1cc(O)cc([N+](=O)[O-])c1 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C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000369620755 546917764 /nfs/dbraw/zinc/91/77/64/546917764.db2.gz HEPJPRAOKIQIMJ-LYIQGSDWSA-N 0 1 351.363 0.123 20 5 FCBDMN CCNC(=O)N1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591754333 546940172 /nfs/dbraw/zinc/94/01/72/546940172.db2.gz KZGSXNPNUSRJRM-LBPRGKRZSA-N 0 1 370.431 0.762 20 5 FCBDMN CCOC(=O)c1cn(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594777877 547008721 /nfs/dbraw/zinc/00/87/21/547008721.db2.gz DPWDXYHMFOMVOC-UHFFFAOYSA-N 0 1 369.359 0.342 20 5 FCBDMN COCc1nc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n[nH]1 ZINC000594826486 547015512 /nfs/dbraw/zinc/01/55/12/547015512.db2.gz BCNRZEQGFNDRAE-UHFFFAOYSA-N 0 1 355.376 0.955 20 5 FCBDMN COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000420414259 547340632 /nfs/dbraw/zinc/34/06/32/547340632.db2.gz DNTJIDJMJOSMAS-UWVGGRQHSA-N 0 1 357.388 0.752 20 5 FCBDMN CC(=O)NCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)C(=O)[O-] 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/nfs/dbraw/zinc/38/54/06/600385406.db2.gz ZIIKVTXZYKWGDD-LBPRGKRZSA-N 0 1 364.402 0.906 20 5 FCBDMN COc1cc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000953884125 674485900 /nfs/dbraw/zinc/48/59/00/674485900.db2.gz OSYDTWKTKSXNJX-GHMZBOCLSA-N 0 1 352.347 0.411 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ccncc2F)CC1 ZINC000953927057 674486454 /nfs/dbraw/zinc/48/64/54/674486454.db2.gz NYFXGBICFNFGMM-TZMCWYRMSA-N 0 1 350.350 0.949 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)Cc2cscn2)CC1 ZINC000953929137 674486677 /nfs/dbraw/zinc/48/66/77/674486677.db2.gz XLCJDZIDVZVKDL-CHWSQXEVSA-N 0 1 352.416 0.800 20 5 FCBDMN COCC[N@H+](CCC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737794010 600640985 /nfs/dbraw/zinc/64/09/85/600640985.db2.gz HHZXCGUQMIIEFS-UHFFFAOYSA-N 0 1 351.359 0.907 20 5 FCBDMN COCC[N@@H+](CCC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000737794010 600640986 /nfs/dbraw/zinc/64/09/86/600640986.db2.gz HHZXCGUQMIIEFS-UHFFFAOYSA-N 0 1 351.359 0.907 20 5 FCBDMN Cn1cc[nH+]c1N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000738410421 600679785 /nfs/dbraw/zinc/67/97/85/600679785.db2.gz HZJXASIORYNIBD-UHFFFAOYSA-N 0 1 359.342 0.989 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2ccncc2Cl)C1 ZINC000954241492 674492804 /nfs/dbraw/zinc/49/28/04/674492804.db2.gz CIHLRFCDJBJGQQ-DGCLKSJQSA-N 0 1 352.778 0.612 20 5 FCBDMN CCCc1onc(C)c1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954244199 674493288 /nfs/dbraw/zinc/49/32/88/674493288.db2.gz YEKHNCGACRIKGN-VXGBXAGGSA-N 0 1 350.375 0.884 20 5 FCBDMN C[N@H+]1CCO[C@H]2CN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830965299 602137676 /nfs/dbraw/zinc/13/76/76/602137676.db2.gz QDFQYQODIHDQOX-NEPJUHHUSA-N 0 1 352.303 0.720 20 5 FCBDMN CC(=O)Nc1nc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000954726239 674504303 /nfs/dbraw/zinc/50/43/03/674504303.db2.gz MYNCQSSVKYCAOK-MWLCHTKSSA-N 0 1 367.387 0.050 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccoc2)c1-c1nn[nH]n1 ZINC000826500364 607598309 /nfs/dbraw/zinc/59/83/09/607598309.db2.gz VTNVDPLMCKWDQY-UHFFFAOYSA-N 0 1 350.316 0.846 20 5 FCBDMN CCCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825290674 607598822 /nfs/dbraw/zinc/59/88/22/607598822.db2.gz DQZWGAGIBVHGIW-UHFFFAOYSA-N 0 1 370.391 0.870 20 5 FCBDMN COCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826154448 607603340 /nfs/dbraw/zinc/60/33/40/607603340.db2.gz PREXBPMOKCNAFV-MRVPVSSYSA-N 0 1 356.364 0.478 20 5 FCBDMN CCn1cc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000956476747 674524455 /nfs/dbraw/zinc/52/44/55/674524455.db2.gz WPRDQWCKMZQPGO-ZYHUDNBSSA-N 0 1 350.379 0.074 20 5 FCBDMN Cn1cc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(Cl)n1 ZINC000956368346 674521865 /nfs/dbraw/zinc/52/18/65/674521865.db2.gz IPPHIMMKZFZJCX-MWLCHTKSSA-N 0 1 369.809 0.850 20 5 FCBDMN CCn1nncc1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956368009 674521897 /nfs/dbraw/zinc/52/18/97/674521897.db2.gz DBFSCQCTNHZGJB-GHMZBOCLSA-N 0 1 350.379 0.074 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826500002 607624585 /nfs/dbraw/zinc/62/45/85/607624585.db2.gz HQTKMEZTDXZUAJ-SCZZXKLOSA-N 0 1 368.375 0.357 20 5 FCBDMN C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000824670646 607636723 /nfs/dbraw/zinc/63/67/23/607636723.db2.gz SUSLOQDOFBRRCG-ZDUSSCGKSA-N 0 1 368.375 0.214 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](CCO)C2)c1-c1nn[nH]n1 ZINC000826500427 607677949 /nfs/dbraw/zinc/67/79/49/607677949.db2.gz YGGXRZMECAXXKQ-SECBINFHSA-N 0 1 368.375 0.168 20 5 FCBDMN CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOCC1 ZINC000824837630 607746878 /nfs/dbraw/zinc/74/68/78/607746878.db2.gz HWAWBPGZPYNHLV-UHFFFAOYSA-N 0 1 368.375 0.622 20 5 FCBDMN C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1CCC(=O)[O-] ZINC000833620309 605473216 /nfs/dbraw/zinc/47/32/16/605473216.db2.gz GQSPVXAAGQHENU-SNVBAGLBSA-N 0 1 365.342 0.945 20 5 FCBDMN CCN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825399185 608111041 /nfs/dbraw/zinc/11/10/41/608111041.db2.gz LYEYBBLLBKQVPB-UHFFFAOYSA-N 0 1 370.391 0.556 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000891258106 663339270 /nfs/dbraw/zinc/33/92/70/663339270.db2.gz RMEXKCDHBCGAGM-TURQNECASA-N 0 1 356.322 0.620 20 5 FCBDMN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000477099850 663386868 /nfs/dbraw/zinc/38/68/68/663386868.db2.gz KSYWLDWHFRJNFI-GFCCVEGCSA-N 0 1 371.463 0.503 20 5 FCBDMN C[C@@H]1CNCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262054240 663487454 /nfs/dbraw/zinc/48/74/54/663487454.db2.gz WVGDXFOOGRFSOD-LLVKDONJSA-N 0 1 356.404 0.084 20 5 FCBDMN Cc1c(Cl)c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC000973255306 664084437 /nfs/dbraw/zinc/08/44/37/664084437.db2.gz AWDVHUQDARQEHY-ZYUZMQFOSA-N 0 1 355.782 0.424 20 5 FCBDMN Cn1nc(C(F)F)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973256999 664085520 /nfs/dbraw/zinc/08/55/20/664085520.db2.gz ZMBBUOIREASPLX-FDDDBJFASA-N 0 1 357.317 0.400 20 5 FCBDMN CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974110031 664222453 /nfs/dbraw/zinc/22/24/53/664222453.db2.gz ORGGYVZSBLHOFB-PKIKSRDPSA-N 0 1 355.782 0.599 20 5 FCBDMN COc1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1F ZINC000974114248 664223079 /nfs/dbraw/zinc/22/30/79/664223079.db2.gz CHFGYXFODOIKCH-RBLKWDMZSA-N 0 1 351.334 0.877 20 5 FCBDMN COCc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000974114187 664223095 /nfs/dbraw/zinc/22/30/95/664223095.db2.gz DEJQJTAZRGDRKE-UTINFBMNSA-N 0 1 354.388 0.332 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483318 664384911 /nfs/dbraw/zinc/38/49/11/664384911.db2.gz LQBTVNAOPVMTST-LBELIVKGSA-N 0 1 350.762 0.587 20 5 FCBDMN 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O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ncc2n1CCCC2 ZINC001063232727 1254321815 /nfs/dbraw/zinc/32/18/15/1254321815.db2.gz CTNNHSKJWMKLKC-CHWSQXEVSA-N 0 1 361.402 0.653 20 5 FCBDMN COCc1cncc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001063479085 1254340465 /nfs/dbraw/zinc/34/04/65/1254340465.db2.gz XZDYCXGPLFLSGN-ZIAGYGMSSA-N 0 1 362.386 0.662 20 5 FCBDMN NC(=O)c1cccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001063570420 1254359095 /nfs/dbraw/zinc/35/90/95/1254359095.db2.gz ZUAJFZMJDAFJHN-CHWSQXEVSA-N 0 1 360.370 0.219 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccc2nncn2c1 ZINC001063609092 1254364550 /nfs/dbraw/zinc/36/45/50/1254364550.db2.gz ZXQKOLULZJIXTP-VXGBXAGGSA-N 0 1 358.358 0.163 20 5 FCBDMN COc1cccnc1CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064156216 1254413074 /nfs/dbraw/zinc/41/30/74/1254413074.db2.gz QHYFHMAPYHEMLO-DGCLKSJQSA-N 0 1 362.386 0.453 20 5 FCBDMN COc1ccc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nc1 ZINC001064145382 1254413585 /nfs/dbraw/zinc/41/35/85/1254413585.db2.gz AVNNZKONHOIULK-ZIAGYGMSSA-N 0 1 362.386 0.453 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnn(CC2CC2)c1 ZINC001064520553 1254426888 /nfs/dbraw/zinc/42/68/88/1254426888.db2.gz PUZFVMPRPXWKHV-ZIAGYGMSSA-N 0 1 361.402 0.727 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccnc(C2CC2)n1 ZINC001064621276 1254452275 /nfs/dbraw/zinc/45/22/75/1254452275.db2.gz OACBYQOHKHLKFW-DGCLKSJQSA-N 0 1 359.386 0.788 20 5 FCBDMN COCCCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001079136576 1255450377 /nfs/dbraw/zinc/45/03/77/1255450377.db2.gz UXIPDXBEEDZSQB-ZIAGYGMSSA-N 0 1 369.418 0.298 20 5 FCBDMN CCN(C(=O)CCc1cncc(F)c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080038212 1255720342 /nfs/dbraw/zinc/72/03/42/1255720342.db2.gz XTMNUFPOHUUQJZ-HUUCEWRRSA-N 0 1 364.377 0.878 20 5 FCBDMN CCC(CC)C(=O)NCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080073308 1255733623 /nfs/dbraw/zinc/73/36/23/1255733623.db2.gz JMRSJXGGZNJWOG-ZIAGYGMSSA-N 0 1 368.434 0.263 20 5 FCBDMN CCOCCOCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080137105 1255756155 /nfs/dbraw/zinc/75/61/55/1255756155.db2.gz OYKVHNWKUUSVRJ-HUUCEWRRSA-N 0 1 371.434 0.544 20 5 FCBDMN CCN(C(=O)C1(c2cccnc2)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080317459 1255837848 /nfs/dbraw/zinc/83/78/48/1255837848.db2.gz FPVDXTIYIJDQCN-HUUCEWRRSA-N 0 1 358.398 0.838 20 5 FCBDMN Cc1cccc(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001080695242 1255992374 /nfs/dbraw/zinc/99/23/74/1255992374.db2.gz BNISQCXTNWZXIH-HUUCEWRRSA-N 0 1 361.398 0.744 20 5 FCBDMN O=C(COC1CCCC1)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080744636 1256013432 /nfs/dbraw/zinc/01/34/32/1256013432.db2.gz IGCIIHHUGKSDCR-ZIAGYGMSSA-N 0 1 369.418 0.081 20 5 FCBDMN CC1(C)C(C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1(C)C ZINC001080855250 1256055790 /nfs/dbraw/zinc/05/57/90/1256055790.db2.gz DIZOQUOTHOGHIL-VXGBXAGGSA-N 0 1 367.446 0.804 20 5 FCBDMN Cc1cnccc1C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856441 1256056265 /nfs/dbraw/zinc/05/62/65/1256056265.db2.gz DPOHKENWAQCBOZ-ZIAGYGMSSA-N 0 1 362.386 0.139 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)C23CCC(CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080856505 1256057338 /nfs/dbraw/zinc/05/73/38/1256057338.db2.gz ICOLDYLZYCWEOK-YXXKGXSTSA-N 0 1 365.430 0.702 20 5 FCBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2nnc[nH]2)CC1 ZINC001307892962 1263203330 /nfs/dbraw/zinc/20/33/30/1263203330.db2.gz MANWCJKMRLWXFA-GFCCVEGCSA-N 0 1 359.390 0.858 20 5 FCBDMN CN1CCN(c2ccccc2C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001324116252 1264578561 /nfs/dbraw/zinc/57/85/61/1264578561.db2.gz ZWQMLTDBHCBEQV-UHFFFAOYSA-N 0 1 358.402 0.973 20 5 FCBDMN O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC001325722155 1264979090 /nfs/dbraw/zinc/97/90/90/1264979090.db2.gz MNZZKGMBTMNRPM-QGZVFWFLSA-N 0 1 370.409 0.952 20 5 FCBDMN CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1c[nH]nn1 ZINC001576273416 1273075216 /nfs/dbraw/zinc/07/52/16/1273075216.db2.gz AEIPRCOYFVZXNM-QMMMGPOBSA-N 0 1 354.348 0.241 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](CO)Cc2c[nH]nn2)c1 ZINC001577348951 1274360728 /nfs/dbraw/zinc/36/07/28/1274360728.db2.gz VMZYBSMRYYGFNR-NSHDSACASA-N 0 1 355.376 0.212 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](CO)Cc2cnn[nH]2)c1 ZINC001577348951 1274360733 /nfs/dbraw/zinc/36/07/33/1274360733.db2.gz VMZYBSMRYYGFNR-NSHDSACASA-N 0 1 355.376 0.212 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CO)Cc2c[nH]nn2)c1 ZINC001577348950 1274361210 /nfs/dbraw/zinc/36/12/10/1274361210.db2.gz VMZYBSMRYYGFNR-LLVKDONJSA-N 0 1 355.376 0.212 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CO)Cc2cnn[nH]2)c1 ZINC001577348950 1274361214 /nfs/dbraw/zinc/36/12/14/1274361214.db2.gz VMZYBSMRYYGFNR-LLVKDONJSA-N 0 1 355.376 0.212 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC23CCC3)c1-c1nn[nH]n1 ZINC001582804458 1282030529 /nfs/dbraw/zinc/03/05/29/1282030529.db2.gz DJSYNUGSTAZMIC-JTQLQIEISA-N 0 1 350.360 0.996 20 5 FCBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588770198 1282699225 /nfs/dbraw/zinc/69/92/25/1282699225.db2.gz JCCHUVFCBZMTRR-CSKARUKUSA-N 0 1 369.345 0.586 20 5 FCBDMN CC(=O)Nc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cc1 ZINC001588874698 1282720920 /nfs/dbraw/zinc/72/09/20/1282720920.db2.gz UKQHUVQVQVZFNW-UHFFFAOYSA-N 0 1 356.302 0.813 20 5 FCBDMN C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001588963006 1282746339 /nfs/dbraw/zinc/74/63/39/1282746339.db2.gz QQOSCRCLWVIIIM-QMMMGPOBSA-N 0 1 355.318 0.517 20 5 FCBDMN CC(C)CN1CCO[C@@H](CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001589633124 1282922888 /nfs/dbraw/zinc/92/28/88/1282922888.db2.gz LPPRHWCDYNJYMX-LBPRGKRZSA-N 0 1 362.394 0.939 20 5 FCBDMN C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[NH+](C)C ZINC001589831449 1283073859 /nfs/dbraw/zinc/07/38/59/1283073859.db2.gz YRXVBSSUTOXKFY-SECBINFHSA-N 0 1 369.407 0.393 20 5 FCBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CO1 ZINC001590207628 1283329174 /nfs/dbraw/zinc/32/91/74/1283329174.db2.gz SUARLTAXBWVKHG-JGVFFNPUSA-N 0 1 354.348 0.231 20 5 FCBDMN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590331908 1283476105 /nfs/dbraw/zinc/47/61/05/1283476105.db2.gz TUAXFAYKMZNORV-SECBINFHSA-N 0 1 354.330 0.949 20 5 FCBDMN CCN(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cs1 ZINC001590676677 1283722891 /nfs/dbraw/zinc/72/28/91/1283722891.db2.gz KDKUXPWJERECGI-UHFFFAOYSA-N 0 1 363.363 0.849 20 5 FCBDMN CN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC001591126162 1284201644 /nfs/dbraw/zinc/20/16/44/1284201644.db2.gz PUNYMJSFCWAYLB-GJZGRUSLSA-N 0 1 359.390 0.680 20 5 FCBDMN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cc1OC ZINC001591571400 1284745154 /nfs/dbraw/zinc/74/51/54/1284745154.db2.gz LHHRXZLDGKVOKB-UHFFFAOYSA-N 0 1 359.302 0.872 20 5 FCBDMN COc1ccc(COC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001591601830 1284765530 /nfs/dbraw/zinc/76/55/30/1284765530.db2.gz ICZRYKMUVWUNRV-MRVPVSSYSA-N 0 1 374.317 0.679 20 5 FCBDMN COc1ccccc1[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591646683 1284778208 /nfs/dbraw/zinc/77/82/08/1284778208.db2.gz SOWMLWKFSGPHJE-SECBINFHSA-N 0 1 372.345 0.857 20 5 FCBDMN COc1ccccc1[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001591646683 1284778214 /nfs/dbraw/zinc/77/82/14/1284778214.db2.gz SOWMLWKFSGPHJE-SECBINFHSA-N 0 1 372.345 0.857 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NCc1cccc(Cl)c1 ZINC001592937857 1285827791 /nfs/dbraw/zinc/82/77/91/1285827791.db2.gz RIZIJROWSAJQIO-UHFFFAOYSA-N 0 1 362.737 0.941 20 5 FCBDMN O=C1NCC2(CCOCC2)[C@H]1NCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001593404560 1286126425 /nfs/dbraw/zinc/12/64/25/1286126425.db2.gz BUSVABZUAYVURO-ZDUSSCGKSA-N 0 1 373.373 0.160 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2(CO)CC2)c1-c1nn[nH]n1 ZINC001593484758 1286174030 /nfs/dbraw/zinc/17/40/30/1286174030.db2.gz FXZNRGHFXINAHJ-UHFFFAOYSA-N 0 1 368.375 0.216 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)c1-c1nn[nH]n1 ZINC001593483699 1286174503 /nfs/dbraw/zinc/17/45/03/1286174503.db2.gz CYNBOXHLLWXBII-SCZZXKLOSA-N 0 1 350.360 0.948 20 5 FCBDMN O=[N+]([O-])c1cnc(N2CCC[C@H](N3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC001593486450 1286176555 /nfs/dbraw/zinc/17/65/55/1286176555.db2.gz TWXDBPOOFFCAAA-LBPRGKRZSA-N 0 1 374.405 0.861 20 5 FCBDMN Cc1c(C(=O)N2CC[NH+](CC(=O)[O-])CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001599977236 1286417012 /nfs/dbraw/zinc/41/70/12/1286417012.db2.gz VBMCYIKRYPXPHQ-UHFFFAOYSA-N 0 1 374.357 0.326 20 5 FCBDMN O=C([O-])[C@@H](O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001601683760 1286807379 /nfs/dbraw/zinc/80/73/79/1286807379.db2.gz SUWIIFMIWGNWDY-INIZCTEOSA-N 0 1 363.370 0.641 20 5 FCBDMN O=C([O-])c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC001602401108 1286997537 /nfs/dbraw/zinc/99/75/37/1286997537.db2.gz MSLFCVNOXUJEEW-UHFFFAOYSA-N 0 1 366.355 0.914 20 5 FCBDMN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c(OC)c1 ZINC001605255281 1287915985 /nfs/dbraw/zinc/91/59/85/1287915985.db2.gz ILODAZUABPBXKC-UHFFFAOYSA-N 0 1 359.302 0.872 20 5 FCBDMN CN(C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001605961122 1288113998 /nfs/dbraw/zinc/11/39/98/1288113998.db2.gz VWHQBVBRCXJGBL-ZDUSSCGKSA-N 0 1 374.357 0.794 20 5 FCBDMN CN(C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001605961122 1288114000 /nfs/dbraw/zinc/11/40/00/1288114000.db2.gz VWHQBVBRCXJGBL-ZDUSSCGKSA-N 0 1 374.357 0.794 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1-c1nn[n-]n1 ZINC001607085183 1288652524 /nfs/dbraw/zinc/65/25/24/1288652524.db2.gz LXOIGYMYCLYALG-SECBINFHSA-N 0 1 367.391 0.053 20 5 FCBDMN O=[N+]([O-])c1cn(CCS(=O)(=O)C2CCCCC2)nc1-c1nn[nH]n1 ZINC001607085177 1288652911 /nfs/dbraw/zinc/65/29/11/1288652911.db2.gz LQAOMEOKTQGTTN-UHFFFAOYSA-N 0 1 355.380 0.719 20 5 FCBDMN CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609093007 1288914596 /nfs/dbraw/zinc/91/45/96/1288914596.db2.gz KTVFMDXWOWYBMH-VIFPVBQESA-N 0 1 369.407 0.427 20 5 FCBDMN Nc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510803 1289190102 /nfs/dbraw/zinc/19/01/02/1289190102.db2.gz HWNCWJZHFAZZEF-KGLIPLIRSA-N 0 1 374.405 0.393 20 5 FCBDMN Nc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510803 1289190103 /nfs/dbraw/zinc/19/01/03/1289190103.db2.gz HWNCWJZHFAZZEF-KGLIPLIRSA-N 0 1 374.405 0.393 20 5 FCBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609517556 1289191612 /nfs/dbraw/zinc/19/16/12/1289191612.db2.gz CMJVAKUTUCJBGE-ZZXKWVIFSA-N 0 1 355.318 0.196 20 5 FCBDMN 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/nfs/dbraw/zinc/02/71/94/1223027194.db2.gz RXYGQBZOBTWTQX-CYBMUJFWSA-N 0 1 366.374 0.883 20 5 FCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)c1[N+](=O)[O-] ZINC001156459559 1223057126 /nfs/dbraw/zinc/05/71/26/1223057126.db2.gz UDPDGKBWQAMWCE-CYZMBNFOSA-N 0 1 368.390 0.915 20 5 FCBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)c1[N+](=O)[O-] ZINC001156459560 1223057464 /nfs/dbraw/zinc/05/74/64/1223057464.db2.gz UDPDGKBWQAMWCE-RAIGVLPGSA-N 0 1 368.390 0.915 20 5 FCBDMN COc1cncc(CN2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001160107304 1223146124 /nfs/dbraw/zinc/14/61/24/1223146124.db2.gz MDGHTMSSZKISST-HUUCEWRRSA-N 0 1 361.402 0.789 20 5 FCBDMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2nnc(C)[nH]2)CC1 ZINC001162264652 1223211845 /nfs/dbraw/zinc/21/18/45/1223211845.db2.gz QNNXNBYBSSFDFW-CHWSQXEVSA-N 0 1 366.422 0.123 20 5 FCBDMN CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978794037 1248771989 /nfs/dbraw/zinc/77/19/89/1248771989.db2.gz DSZFBGBYBHADLU-WRWGMCAJSA-N 0 1 363.418 0.997 20 5 FCBDMN O=C(NC1CN(C(=O)c2cncn2-c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991287760 1249364790 /nfs/dbraw/zinc/36/47/90/1249364790.db2.gz TUYDWNUVFYGLQE-ZIAGYGMSSA-N 0 1 355.354 0.478 20 5 FCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncoc1-c1ccccc1 ZINC000993799671 1249976845 /nfs/dbraw/zinc/97/68/45/1249976845.db2.gz HSFLQNZIHRSDJZ-CHWSQXEVSA-N 0 1 356.338 0.947 20 5 FCBDMN Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(=O)[nH]1 ZINC000943700015 1247388775 /nfs/dbraw/zinc/38/87/75/1247388775.db2.gz WASIMCFVNNFXAH-HBJVGIJOSA-N 0 1 362.386 0.918 20 5 FCBDMN COc1nccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000943699336 1247389204 /nfs/dbraw/zinc/38/92/04/1247389204.db2.gz DKPGILHDEGWTIS-PRULPYPASA-N 0 1 363.374 0.308 20 5 FCBDMN Cc1c[nH]nc1C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385476 1247543543 /nfs/dbraw/zinc/54/35/43/1247543543.db2.gz SPODSLAAXXRVQJ-CHWSQXEVSA-N 0 1 361.402 0.838 20 5 FCBDMN Cc1nc[nH]c1C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385111 1247544047 /nfs/dbraw/zinc/54/40/47/1247544047.db2.gz LJWAOWKOURGAJT-CHWSQXEVSA-N 0 1 361.402 0.838 20 5 FCBDMN Cc1cc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cnn1 ZINC000944920402 1247684395 /nfs/dbraw/zinc/68/43/95/1247684395.db2.gz HBGXANBOHHNVGC-ZIAGYGMSSA-N 0 1 359.386 0.515 20 5 FCBDMN Cn1nc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1C1CC1 ZINC000946702923 1247959732 /nfs/dbraw/zinc/95/97/32/1247959732.db2.gz CSNUWTSECCDCIT-IUODEOHRSA-N 0 1 361.402 0.684 20 5 FCBDMN Cn1ncc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C(F)F ZINC000946705502 1247961203 /nfs/dbraw/zinc/96/12/03/1247961203.db2.gz DAPVIMCOPFFEFP-MWLCHTKSSA-N 0 1 371.344 0.744 20 5 FCBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnc2cc[nH]c2c1 ZINC000946706492 1247963484 /nfs/dbraw/zinc/96/34/84/1247963484.db2.gz AMNXCQRFOLSKMB-IUODEOHRSA-N 0 1 357.370 0.949 20 5 FCBDMN O=C(NC1CCN(C(=O)c2noc3c2COCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000946927686 1248083886 /nfs/dbraw/zinc/08/38/86/1248083886.db2.gz MDDMMKIVWRUAON-ZYHUDNBSSA-N 0 1 364.358 0.133 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3occ4c3CCOC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976477000 1248223601 /nfs/dbraw/zinc/22/36/01/1248223601.db2.gz IKLKHFAMQXWUFA-RGDJUOJXSA-N 0 1 361.354 0.204 20 5 FCBDMN Cc1nc2c(cccc2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000976479202 1248223781 /nfs/dbraw/zinc/22/37/81/1248223781.db2.gz XKMLSRXDGBHEAT-VVSAWPALSA-N 0 1 370.365 0.988 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc4cccn4cn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976490906 1248226694 /nfs/dbraw/zinc/22/66/94/1248226694.db2.gz CWMDEHJOFJHDKA-AMVBZWJASA-N 0 1 355.354 0.186 20 5 FCBDMN COc1cccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000976492149 1248229268 /nfs/dbraw/zinc/22/92/68/1248229268.db2.gz HYFAVWFWVUSNGQ-GAGVYUBLSA-N 0 1 359.382 0.476 20 5 FCBDMN CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976549831 1248237248 /nfs/dbraw/zinc/23/72/48/1248237248.db2.gz SDEKSPLRKYMARO-APACUCGBSA-N 0 1 359.386 0.452 20 5 FCBDMN COc1cc(C)cnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976695544 1248342745 /nfs/dbraw/zinc/34/27/45/1248342745.db2.gz FXDFFGUANXHWFS-DIACKHNESA-N 0 1 360.370 0.250 20 5 FCBDMN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c2nccn2c1 ZINC000976850884 1248430588 /nfs/dbraw/zinc/43/05/88/1248430588.db2.gz FBKKCDLIVHOGOS-LFHLZQBKSA-N 0 1 369.381 0.495 20 5 FCBDMN CCc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)cc(=O)[nH]1 ZINC000976853308 1248431334 /nfs/dbraw/zinc/43/13/34/1248431334.db2.gz SWMXUQIEYGCPJL-VVSAWPALSA-N 0 1 360.370 0.201 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1nccc2occc21 ZINC000976967266 1248495291 /nfs/dbraw/zinc/49/52/91/1248495291.db2.gz PMPCHNDGWQLVAA-DIACKHNESA-N 0 1 356.338 0.680 20 5 FCBDMN CCCn1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c1C ZINC000977054984 1248532428 /nfs/dbraw/zinc/53/24/28/1248532428.db2.gz QPLGSRIVMOAWCI-LFHLZQBKSA-N 0 1 361.402 0.453 20 5 FCBDMN CN(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c1 ZINC000977174669 1248560141 /nfs/dbraw/zinc/56/01/41/1248560141.db2.gz CSFIMQHLCQLLKI-LJIZCISZSA-N 0 1 358.398 0.604 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)C1(c2ccccc2)CC1 ZINC000977228629 1248597094 /nfs/dbraw/zinc/59/70/94/1248597094.db2.gz ZQIXTJLMCXDHSI-LJIZCISZSA-N 0 1 355.394 0.956 20 5 FCBDMN CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977262971 1248601599 /nfs/dbraw/zinc/60/15/99/1248601599.db2.gz XTQOKKNAEJHSTH-ZMHPAJMFSA-N 0 1 361.402 0.559 20 5 FCBDMN O=C(c1cc[nH]c1)N1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000994798292 1250670175 /nfs/dbraw/zinc/67/01/75/1250670175.db2.gz RXCHCBKSDSXMOS-HUUCEWRRSA-N 0 1 362.386 0.512 20 5 FCBDMN COc1ccccc1C1(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000994946901 1250720241 /nfs/dbraw/zinc/72/02/41/1250720241.db2.gz UZRXKDHSSWHETH-TZMCWYRMSA-N 0 1 359.382 0.719 20 5 FCBDMN CC(C)(C)n1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997772469 1251700317 /nfs/dbraw/zinc/70/03/17/1251700317.db2.gz NHMMBOSJNILPPH-CHWSQXEVSA-N 0 1 365.438 0.422 20 5 FCBDMN O=C(NCC1CN(C(=O)c2cnoc2-c2ccco2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001801701 1252348764 /nfs/dbraw/zinc/34/87/64/1252348764.db2.gz ALWKRGASOTYKMO-ZYHUDNBSSA-N 0 1 360.326 0.788 20 5 FCBDMN O=C(Cc1cc(F)c(F)cc1F)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001802072 1252349387 /nfs/dbraw/zinc/34/93/87/1252349387.db2.gz IUKOQADIUGRDRS-QMTHXVAHSA-N 0 1 371.315 0.886 20 5 FCBDMN Cn1cnc2cc(C(=O)N3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001001801687 1252349539 /nfs/dbraw/zinc/34/95/39/1252349539.db2.gz ADQPTVCMDWGZGD-IUODEOHRSA-N 0 1 357.370 0.427 20 5 FCBDMN Cc1cccc2nc(C(=O)N3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)cn21 ZINC001001802684 1252350488 /nfs/dbraw/zinc/35/04/88/1252350488.db2.gz LNVRWJOEYFRDSB-TZMCWYRMSA-N 0 1 357.370 0.496 20 5 FCBDMN O=C(NCC1CN(C(=O)c2nncc3ccccc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001804649 1252350913 /nfs/dbraw/zinc/35/09/13/1252350913.db2.gz DEJZCFPWPRZEKT-ZIAGYGMSSA-N 0 1 355.354 0.483 20 5 FCBDMN Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c2nccn2c1 ZINC001001804987 1252351232 /nfs/dbraw/zinc/35/12/32/1252351232.db2.gz JLYLVMHNAAFNQL-TZMCWYRMSA-N 0 1 357.370 0.496 20 5 FCBDMN Cc1ccc2n[nH]cc2c1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001805022 1252351306 /nfs/dbraw/zinc/35/13/06/1252351306.db2.gz KMAAGPZXXLVALI-BXUZGUMPSA-N 0 1 357.370 0.725 20 5 FCBDMN Cc1cccc(C)c1OCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001804712 1252351318 /nfs/dbraw/zinc/35/13/18/1252351318.db2.gz ZJXALNQNPSNJMU-HUUCEWRRSA-N 0 1 361.398 0.922 20 5 FCBDMN O=C(Cc1noc2ccccc21)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001806408 1252352370 /nfs/dbraw/zinc/35/23/70/1252352370.db2.gz WZRUQRVANIANIH-TZMCWYRMSA-N 0 1 358.354 0.610 20 5 FCBDMN O=C(NCC1CN(C(=O)c2ccc(-n3cnnc3)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809098 1252353590 /nfs/dbraw/zinc/35/35/90/1252353590.db2.gz WMZZOOVJROCNKS-HUUCEWRRSA-N 0 1 370.369 0.121 20 5 FCBDMN O=C(Cc1ccc2c(c1)COC2)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809138 1252354258 /nfs/dbraw/zinc/35/42/58/1252354258.db2.gz XBJMSVNIDZHXHE-HZPDHXFCSA-N 0 1 359.382 0.499 20 5 FCBDMN Cc1cnc2cc(C(=O)N3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccn12 ZINC001001811019 1252355499 /nfs/dbraw/zinc/35/54/99/1252355499.db2.gz UUFIMWNVENHENR-ZIAGYGMSSA-N 0 1 357.370 0.496 20 5 FCBDMN O=C(NCC1CN(C(=O)c2cccc(-n3ccnc3)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001811056 1252356128 /nfs/dbraw/zinc/35/61/28/1252356128.db2.gz WPALVXBQOFRMQO-HZPDHXFCSA-N 0 1 369.381 0.726 20 5 FCBDMN Cc1nc2cc(C(=O)N3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)cnc2[nH]1 ZINC001001811015 1252356715 /nfs/dbraw/zinc/35/67/15/1252356715.db2.gz UOPWDKWMRLKDDS-DGCLKSJQSA-N 0 1 358.358 0.120 20 5 FCBDMN Cc1ccn2cc(C(=O)NCC3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)nc2c1 ZINC001003008121 1252758345 /nfs/dbraw/zinc/75/83/45/1252758345.db2.gz GSAKKCDZBCVGJD-TZMCWYRMSA-N 0 1 357.370 0.496 20 5 FCBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(-n2ccnn2)cc1 ZINC001003256942 1252820578 /nfs/dbraw/zinc/82/05/78/1252820578.db2.gz MWELIMHMJSTPSD-HUUCEWRRSA-N 0 1 370.369 0.121 20 5 FCBDMN Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c2nccn2c1 ZINC001003284987 1252829860 /nfs/dbraw/zinc/82/98/60/1252829860.db2.gz FMQLLGDKYBGDDF-TZMCWYRMSA-N 0 1 357.370 0.496 20 5 FCBDMN CCOc1nccc(C)c1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001003289158 1252832389 /nfs/dbraw/zinc/83/23/89/1252832389.db2.gz QTYJHZGOGJTNPX-CHWSQXEVSA-N 0 1 362.386 0.642 20 5 FCBDMN Cc1n[nH]c2ccc(C(=O)NCC3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)cc12 ZINC001003422809 1252901823 /nfs/dbraw/zinc/90/18/23/1252901823.db2.gz DJHDYMSSLJIGMQ-UKRRQHHQSA-N 0 1 357.370 0.725 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2nnc3n2CCCC3)CC1 ZINC001005379548 1253538433 /nfs/dbraw/zinc/53/84/33/1253538433.db2.gz VELIFIQMMKGWJN-ZIAGYGMSSA-N 0 1 362.434 0.702 20 5 FCBDMN O=C(NCC1CN(Cc2nnc(-c3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660504 1253880327 /nfs/dbraw/zinc/88/03/27/1253880327.db2.gz JJMFMGXOXWQQSM-ZIAGYGMSSA-N 0 1 357.370 0.950 20 5 FCBDMN O=C(NCC1CN(Cc2nnc(Cc3ccccc3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661275 1253881021 /nfs/dbraw/zinc/88/10/21/1253881021.db2.gz SCANTYDQAOHOAS-HUUCEWRRSA-N 0 1 371.397 0.874 20 5 FCBDMN O=C(NCC1CN(Cc2nnc(C3CC3)n2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662656 1253881585 /nfs/dbraw/zinc/88/15/85/1253881585.db2.gz KCYUQGCITQYHOG-ZIAGYGMSSA-N 0 1 360.418 0.704 20 5 FCBDMN Cn1cc(CC(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001060729986 1254131043 /nfs/dbraw/zinc/13/10/43/1254131043.db2.gz UFAFDDFDKKVSOD-NMFUWQPSSA-N 0 1 363.418 0.419 20 5 FCBDMN CN(C)c1ccnc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001062991020 1254288485 /nfs/dbraw/zinc/28/84/85/1254288485.db2.gz WIBJYRRJUDESLP-TZMCWYRMSA-N 0 1 361.402 0.582 20 5 FCBDMN Cn1nc(C(F)F)cc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989153 1254289903 /nfs/dbraw/zinc/28/99/03/1254289903.db2.gz QDFYBXSNPDDASC-PSASIEDQSA-N 0 1 371.344 0.792 20 5 FCBDMN Cn1nc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cc1C1CC1 ZINC001062990556 1254289946 /nfs/dbraw/zinc/28/99/46/1254289946.db2.gz LYEFECAINNQUPX-BXUZGUMPSA-N 0 1 361.402 0.731 20 5 FCBDMN Cn1nc(C2CC2)cc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063266171 1254325491 /nfs/dbraw/zinc/32/54/91/1254325491.db2.gz HRRWMEVSGKQVPF-DGCLKSJQSA-N 0 1 361.402 0.731 20 5 FCBDMN O=C(CCc1ccco1)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080714287 1255999975 /nfs/dbraw/zinc/99/99/75/1255999975.db2.gz UXOIQIWYSUVSCK-ZIAGYGMSSA-N 0 1 365.386 0.347 20 5 FCBDMN Cc1cc(C)c(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001080802330 1256044905 /nfs/dbraw/zinc/04/49/05/1256044905.db2.gz GMOXSCQDUPIMLF-CHWSQXEVSA-N 0 1 365.386 0.645 20 5 FCBDMN Cc1ccn(C)c1C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856472 1256056744 /nfs/dbraw/zinc/05/67/44/1256056744.db2.gz FYYIIMKCPFGKPW-CHWSQXEVSA-N 0 1 364.402 0.082 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080855545 1256056953 /nfs/dbraw/zinc/05/69/53/1256056953.db2.gz PXEIFXCIHYAESV-TZMCWYRMSA-N 0 1 365.361 0.574 20 5 FCBDMN CC1(C)CC(CC(=O)N2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001080856914 1256058790 /nfs/dbraw/zinc/05/87/90/1256058790.db2.gz ZHIIQPFCZGBJKX-ZIAGYGMSSA-N 0 1 367.446 0.948 20 5 FCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)Cn1cccn1 ZINC001081082466 1256170024 /nfs/dbraw/zinc/17/00/24/1256170024.db2.gz SDTQGYZXHBNLDH-HUUCEWRRSA-N 0 1 363.418 0.635 20 5 FCBDMN CCN(CC1CCN(C(=O)CC(=O)N(C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001081085140 1256171728 /nfs/dbraw/zinc/17/17/28/1256171728.db2.gz RFODFQJPNSYIKC-ZIAGYGMSSA-N 0 1 368.434 0.217 20 5 FCBDMN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001261860954 1260199502 /nfs/dbraw/zinc/19/95/02/1260199502.db2.gz KZNSSEXSTPZHMT-LLVKDONJSA-N 0 1 354.330 0.923 20 5 FCBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCCC3=O)c2)CC1 ZINC001337703489 1260462665 /nfs/dbraw/zinc/46/26/65/1260462665.db2.gz JOTBWOWCRHHGBX-UHFFFAOYSA-N 0 1 361.402 0.908 20 5 FCBDMN Cc1nn(CCC(=O)NCC(C)(C)N2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC001318542356 1263584596 /nfs/dbraw/zinc/58/45/96/1263584596.db2.gz VWVQALCLBGZXTL-UHFFFAOYSA-N 0 1 366.466 0.940 20 5 FCBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CCCN(Cc2c[nH]nn2)C1 ZINC001577493611 1274451944 /nfs/dbraw/zinc/45/19/44/1274451944.db2.gz RVWNKHQCJIEKSY-LLVKDONJSA-N 0 1 360.378 0.624 20 5 FCBDMN C[C@@H](CC(C)(C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001603451636 1287375902 /nfs/dbraw/zinc/37/59/02/1287375902.db2.gz RGELCSWALKEFIG-QMMMGPOBSA-N 0 1 370.391 0.603 20 5 FCBDMN Cn1c(=O)c(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)nc2ccccc21 ZINC001581748874 1280452532 /nfs/dbraw/zinc/45/25/32/1280452532.db2.gz YLSSCGAQTSXVOZ-UHFFFAOYSA-N 0 1 353.302 0.267 20 5 FCBDMN O=C(NC1CCC(Oc2ncccc2-c2nn[nH]n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001582276511 1281245119 /nfs/dbraw/zinc/24/51/19/1281245119.db2.gz HERCBEUZCPCERZ-IOCWDNCASA-N 0 1 373.373 0.733 20 5 FCBDMN C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001589915195 1283125057 /nfs/dbraw/zinc/12/50/57/1283125057.db2.gz ZMAHOBWQKMLOTB-RKDXNWHRSA-N 0 1 367.391 0.133 20 5 FCBDMN CC[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1 ZINC001590497635 1283566685 /nfs/dbraw/zinc/56/66/85/1283566685.db2.gz VISZXRRWHKESJE-ZDUSSCGKSA-N 0 1 368.375 0.622 20 5 FCBDMN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591123492 1284195895 /nfs/dbraw/zinc/19/58/95/1284195895.db2.gz GTEMEJGVPJGKEP-CQSZACIVSA-N 0 1 358.362 0.637 20 5 FCBDMN CO[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001591474278 1284650184 /nfs/dbraw/zinc/65/01/84/1284650184.db2.gz JTIPZYCSDOAKMX-ZKCHVHJHSA-N 0 1 354.348 0.231 20 5 FCBDMN Cc1cc(NCCn2cnc(-c3nn[n-]n3)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001592050740 1285096474 /nfs/dbraw/zinc/09/64/74/1285096474.db2.gz DICATYJICSPPDZ-UHFFFAOYSA-N 0 1 366.345 0.757 20 5 FCBDMN Cc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001592156758 1285166869 /nfs/dbraw/zinc/16/68/69/1285166869.db2.gz WUMQFGAYBQYGMD-SECBINFHSA-N 0 1 357.334 0.552 20 5 FCBDMN Nc1cc(NC[C@H]2CCC[N@@H+]2CCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759654 1285682056 /nfs/dbraw/zinc/68/20/56/1285682056.db2.gz FTDWOKAFGTXLMR-LLVKDONJSA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@H]2CCC[N@H+]2CCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759654 1285682064 /nfs/dbraw/zinc/68/20/64/1285682064.db2.gz FTDWOKAFGTXLMR-LLVKDONJSA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@H]2CCC[N@@H+]2CCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759654 1285682077 /nfs/dbraw/zinc/68/20/77/1285682077.db2.gz FTDWOKAFGTXLMR-LLVKDONJSA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@H]2CCC[N@H+]2CCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759654 1285682087 /nfs/dbraw/zinc/68/20/87/1285682087.db2.gz FTDWOKAFGTXLMR-LLVKDONJSA-N 0 1 362.394 0.616 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001593310378 1286070884 /nfs/dbraw/zinc/07/08/84/1286070884.db2.gz MOMXDZAXMSPNDO-ZIAGYGMSSA-N 0 1 358.358 0.902 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@]23C[C@H]2CCC3)c1-c1nn[nH]n1 ZINC001593486049 1286173865 /nfs/dbraw/zinc/17/38/65/1286173865.db2.gz ZTHCSRKHRWWYNS-AMIZOPFISA-N 0 1 350.360 0.996 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1-c1nn[n-]n1 ZINC001593483982 1286174594 /nfs/dbraw/zinc/17/45/94/1286174594.db2.gz NGUKCODRWXSHLA-SECBINFHSA-N 0 1 367.391 0.195 20 5 FCBDMN Cc1c(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034721 1286431902 /nfs/dbraw/zinc/43/19/02/1286431902.db2.gz AELQIBFGMRDCJI-GFCCVEGCSA-N 0 1 364.358 0.884 20 5 FCBDMN Cc1c(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034721 1286431908 /nfs/dbraw/zinc/43/19/08/1286431908.db2.gz AELQIBFGMRDCJI-GFCCVEGCSA-N 0 1 364.358 0.884 20 5 FCBDMN Cc1c(NC(=O)N2CC[NH+](CCO)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037982 1286432904 /nfs/dbraw/zinc/43/29/04/1286432904.db2.gz YCDNJRIATJNJMA-UHFFFAOYSA-N 0 1 352.347 0.743 20 5 FCBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001600304518 1286474834 /nfs/dbraw/zinc/47/48/34/1286474834.db2.gz VRFRCXCLVXIVDA-MRXNPFEDSA-N 0 1 364.358 0.300 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001600304805 1286475544 /nfs/dbraw/zinc/47/55/44/1286475544.db2.gz MZVMGXHUOKNCFP-AWEZNQCLSA-N 0 1 350.375 0.980 20 5 FCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600488640 1286497598 /nfs/dbraw/zinc/49/75/98/1286497598.db2.gz ZHQPNPUSXDHSGS-DGCLKSJQSA-N 0 1 351.359 0.999 20 5 FCBDMN Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600984532 1286588649 /nfs/dbraw/zinc/58/86/49/1286588649.db2.gz NNFHEHNATVQMNH-CYBMUJFWSA-N 0 1 359.342 0.813 20 5 FCBDMN O=C([O-])[C@H]1C[C@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601773384 1286832381 /nfs/dbraw/zinc/83/23/81/1286832381.db2.gz SBDLXSXSHNJDJA-CMPLNLGQSA-N 0 1 351.315 0.413 20 5 FCBDMN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001603004355 1287178446 /nfs/dbraw/zinc/17/84/46/1287178446.db2.gz DZDPQCKHOSZVRQ-VIFPVBQESA-N 0 1 371.361 0.979 20 5 FCBDMN C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cnc(-c2nn[nH]n2)n1 ZINC001603003156 1287178547 /nfs/dbraw/zinc/17/85/47/1287178547.db2.gz CYDZBESDRMFYDL-MRVPVSSYSA-N 0 1 355.318 0.517 20 5 FCBDMN C[N@H+]1CCC[C@@](O)(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC001606226659 1288216006 /nfs/dbraw/zinc/21/60/06/1288216006.db2.gz JOEHNQQUYHFJIE-DLBZAZTESA-N 0 1 365.386 0.858 20 5 FCBDMN O=c1c(-c2nn[nH]n2)cn(CCn2cncn2)c2ccc([N+](=O)[O-])cc12 ZINC001607089566 1288656359 /nfs/dbraw/zinc/65/63/59/1288656359.db2.gz ADEUMIZJQXZQQO-UHFFFAOYSA-N 0 1 353.302 0.382 20 5 FCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001607291671 1288696464 /nfs/dbraw/zinc/69/64/64/1288696464.db2.gz NEJNGEFOYWZDLI-IUODEOHRSA-N 0 1 367.358 0.842 20 5 FCBDMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001607310316 1288698231 /nfs/dbraw/zinc/69/82/31/1288698231.db2.gz QAHFNJZBLGRQRU-HIFRSBDPSA-N 0 1 364.358 0.919 20 5 FCBDMN 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C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC[NH2+]1 ZINC001590207112 1283327796 /nfs/dbraw/zinc/32/77/96/1283327796.db2.gz OOTZVTCZWPWTDX-IUCAKERBSA-N 0 1 367.391 0.194 20 5 FCBDMN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591003917 1284063715 /nfs/dbraw/zinc/06/37/15/1284063715.db2.gz NHTVSZSOTTZQGI-LLVKDONJSA-N 0 1 374.405 0.963 20 5 FCBDMN C[NH+]1CCC2(CC1)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCO2 ZINC001591181825 1284285265 /nfs/dbraw/zinc/28/52/65/1284285265.db2.gz KHMSCMQOOUGBHT-UHFFFAOYSA-N 0 1 360.378 0.471 20 5 FCBDMN C[NH+]1CCC2(CC1)CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCO2 ZINC001591181825 1284285278 /nfs/dbraw/zinc/28/52/78/1284285278.db2.gz KHMSCMQOOUGBHT-UHFFFAOYSA-N 0 1 360.378 0.471 20 5 FCBDMN COC(=O)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591270422 1284423865 /nfs/dbraw/zinc/42/38/65/1284423865.db2.gz SUKJAUSSGXVCFB-ZETCQYMHSA-N 0 1 370.347 0.005 20 5 FCBDMN COc1cccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c1 ZINC001591638312 1284776220 /nfs/dbraw/zinc/77/62/20/1284776220.db2.gz UYUODCZPEZEOHV-UHFFFAOYSA-N 0 1 372.345 0.639 20 5 FCBDMN CSC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001591688477 1284830596 /nfs/dbraw/zinc/83/05/96/1284830596.db2.gz WHUXXOJERYIFDH-UHFFFAOYSA-N 0 1 370.416 0.949 20 5 FCBDMN Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007653 1285057845 /nfs/dbraw/zinc/05/78/45/1285057845.db2.gz BUIIDMQEAMDMEO-UHFFFAOYSA-N 0 1 361.406 0.976 20 5 FCBDMN Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007653 1285057846 /nfs/dbraw/zinc/05/78/46/1285057846.db2.gz BUIIDMQEAMDMEO-UHFFFAOYSA-N 0 1 361.406 0.976 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)Nc1ccc2c(c1)OCCO2 ZINC001592937633 1285826811 /nfs/dbraw/zinc/82/68/11/1285826811.db2.gz ILHLUJQBMSMREA-UHFFFAOYSA-N 0 1 372.301 0.381 20 5 FCBDMN O=C(NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001592975165 1285857613 /nfs/dbraw/zinc/85/76/13/1285857613.db2.gz UDRCKADLVXTMDM-FIYWTHMPSA-N 0 1 373.373 0.733 20 5 FCBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1C ZINC001600304169 1286474871 /nfs/dbraw/zinc/47/48/71/1286474871.db2.gz JEEKSNHFFZLZPT-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c1C ZINC001600304169 1286474879 /nfs/dbraw/zinc/47/48/79/1286474879.db2.gz JEEKSNHFFZLZPT-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600551754 1286507011 /nfs/dbraw/zinc/50/70/11/1286507011.db2.gz BFYUNMULWLRENW-GFCCVEGCSA-N 0 1 350.375 0.790 20 5 FCBDMN C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001602988013 1287175770 /nfs/dbraw/zinc/17/57/70/1287175770.db2.gz ANUNCGPSSFQKKU-SNVBAGLBSA-N 0 1 371.361 0.629 20 5 FCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609428225 1289147122 /nfs/dbraw/zinc/14/71/22/1289147122.db2.gz NRLFKYAOWFDUQB-UHFFFAOYSA-N 0 1 372.349 0.805 20 5 FCBDMN C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C(=O)[O-])C1 ZINC001606236489 1288224249 /nfs/dbraw/zinc/22/42/49/1288224249.db2.gz ZYWBMFDDECIDET-SECBINFHSA-N 0 1 351.315 0.412 20 5 FCBDMN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C(=O)[O-] ZINC001606430357 1288310997 /nfs/dbraw/zinc/31/09/97/1288310997.db2.gz OIBBQDPBRSBNGV-NEPJUHHUSA-N 0 1 365.342 0.647 20 5 FCBDMN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C(=O)[O-] ZINC001606430357 1288311000 /nfs/dbraw/zinc/31/10/00/1288311000.db2.gz OIBBQDPBRSBNGV-NEPJUHHUSA-N 0 1 365.342 0.647 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001607191643 1288681990 /nfs/dbraw/zinc/68/19/90/1288681990.db2.gz ORFVUSLVTUNUDR-IUODEOHRSA-N 0 1 367.358 0.842 20 5 FCBDMN CC(C)[C@@H](CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609087778 1288912943 /nfs/dbraw/zinc/91/29/43/1288912943.db2.gz FMPPAQFYSKACDA-SECBINFHSA-N 0 1 370.391 0.318 20 5 FCBDMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC001609537818 1289204504 /nfs/dbraw/zinc/20/45/04/1289204504.db2.gz UNIATDTVRBFTBM-UHFFFAOYSA-N 0 1 369.341 0.712 20 5 FCBDMN CC[C@](COC)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC001609924257 1289329397 /nfs/dbraw/zinc/32/93/97/1289329397.db2.gz NWRHUCXREZKZAE-MRXNPFEDSA-N 0 1 351.359 0.953 20 5 FCBDMN COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610167646 1289406464 /nfs/dbraw/zinc/40/64/64/1289406464.db2.gz RAKQQWWPFCKGJY-NWDGAFQWSA-N 0 1 368.342 0.414 20 5 FCBDMN COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610167646 1289406465 /nfs/dbraw/zinc/40/64/65/1289406465.db2.gz RAKQQWWPFCKGJY-NWDGAFQWSA-N 0 1 368.342 0.414 20 5 FCBDMN Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001610452755 1289489761 /nfs/dbraw/zinc/48/97/61/1289489761.db2.gz OFJASFRCTYDURL-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001610452755 1289489766 /nfs/dbraw/zinc/48/97/66/1289489766.db2.gz OFJASFRCTYDURL-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001610495371 1289495268 /nfs/dbraw/zinc/49/52/68/1289495268.db2.gz QIUMNJUABAFZEP-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001610495371 1289495274 /nfs/dbraw/zinc/49/52/74/1289495274.db2.gz QIUMNJUABAFZEP-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cn1cc(C(=O)NCCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)cn1 ZINC001688226717 1293056635 /nfs/dbraw/zinc/05/66/35/1293056635.db2.gz BGQXFPBJRYRGTE-HZPDHXFCSA-N 0 1 371.397 0.674 20 5 FCBDMN CN(CCNC(=O)c1ccnc(-n2cccn2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688375959 1294486651 /nfs/dbraw/zinc/48/66/51/1294486651.db2.gz RINNVCIAASYNCG-CHWSQXEVSA-N 0 1 358.358 0.121 20 5 FCBDMN COc1ccc(F)cc1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689329240 1294754764 /nfs/dbraw/zinc/75/47/64/1294754764.db2.gz WXHKTUOORYONIZ-XFKWNRGUSA-N 0 1 351.334 0.902 20 5 FCBDMN COc1ccccc1OCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689583491 1294797013 /nfs/dbraw/zinc/79/70/13/1294797013.db2.gz JCRVCKNZDHGMSQ-VXGBXAGGSA-N 0 1 363.370 0.504 20 5 FCBDMN Cc1noc(C)c1CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689582711 1294797325 /nfs/dbraw/zinc/79/73/25/1294797325.db2.gz GXQOIXBVOMVSHL-CHWSQXEVSA-N 0 1 350.375 0.654 20 5 FCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc(=O)c2ccccc2[nH]1 ZINC001689582855 1294797585 /nfs/dbraw/zinc/79/75/85/1294797585.db2.gz LYSSWAITOVDMAS-BXUZGUMPSA-N 0 1 370.365 0.572 20 5 FCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2c(c1)CCOC2 ZINC001689583001 1294797802 /nfs/dbraw/zinc/79/78/02/1294797802.db2.gz RTEUJKFRCWZRTI-HUUCEWRRSA-N 0 1 359.382 0.803 20 5 FCBDMN CCOCCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001689653628 1294819774 /nfs/dbraw/zinc/81/97/74/1294819774.db2.gz MJHMIRUZJPQHBP-ZIAGYGMSSA-N 0 1 353.419 0.918 20 5 FCBDMN COc1ncnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164737827 720695759 /nfs/dbraw/zinc/69/57/59/720695759.db2.gz HFWGBYXBWWZHEF-NWDGAFQWSA-N 0 1 373.373 0.525 20 5 FCBDMN Cc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164752755 720796606 /nfs/dbraw/zinc/79/66/06/720796606.db2.gz ZRUPNYLOWOGEAG-CHWSQXEVSA-N 0 1 357.374 0.825 20 5 FCBDMN Cc1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164752761 720797810 /nfs/dbraw/zinc/79/78/10/720797810.db2.gz ZRUPNYLOWOGEAG-STQMWFEESA-N 0 1 357.374 0.825 20 5 FCBDMN CCCNC(=O)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389082 837455725 /nfs/dbraw/zinc/45/57/25/837455725.db2.gz RROIVBVNFMKBBO-CHWSQXEVSA-N 0 1 356.423 0.265 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(Cl)n(C)n1 ZINC001067385805 837455858 /nfs/dbraw/zinc/45/58/58/837455858.db2.gz OIIPQMMVPLMILK-MWLCHTKSSA-N 0 1 357.798 0.659 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCn1cncn1 ZINC001067388317 837455917 /nfs/dbraw/zinc/45/59/17/837455917.db2.gz AOGYPFDPYTZXLD-CHWSQXEVSA-N 0 1 352.395 0.030 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnn(C(F)F)c1 ZINC001067389064 837456146 /nfs/dbraw/zinc/45/61/46/837456146.db2.gz QWHFREKPNQQELB-GHMZBOCLSA-N 0 1 359.333 0.864 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn(C(F)F)n1 ZINC001067389204 837456304 /nfs/dbraw/zinc/45/63/04/837456304.db2.gz TVRJQKVLTIBHIC-MWLCHTKSSA-N 0 1 359.333 0.864 20 5 FCBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(Cl)cnn1C ZINC001067388417 837456403 /nfs/dbraw/zinc/45/64/03/837456403.db2.gz DNGSOFXXPPNCQK-MWLCHTKSSA-N 0 1 357.798 0.659 20 5 FCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CN(C)C(C)=O)CC1 ZINC001069190849 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1285679823 /nfs/dbraw/zinc/67/98/23/1285679823.db2.gz XJRGGIQXQFZBBX-UHFFFAOYSA-N 0 1 362.394 0.881 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)N1CCc2sccc2C1 ZINC001592937428 1285826364 /nfs/dbraw/zinc/82/63/64/1285826364.db2.gz AHZGVUDUUWXFSQ-UHFFFAOYSA-N 0 1 360.359 0.618 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001593466604 1286170636 /nfs/dbraw/zinc/17/06/36/1286170636.db2.gz UNKIXBPBLBLVQU-LBPRGKRZSA-N 0 1 374.405 0.907 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001593466604 1286170641 /nfs/dbraw/zinc/17/06/41/1286170641.db2.gz UNKIXBPBLBLVQU-LBPRGKRZSA-N 0 1 374.405 0.907 20 5 FCBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC(c2[nH]nc3c2COCC3)C1 ZINC001593469780 1286172193 /nfs/dbraw/zinc/17/21/93/1286172193.db2.gz GTKOZKAKFVKMGR-UHFFFAOYSA-N 0 1 369.345 0.570 20 5 FCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001593486830 1286176548 /nfs/dbraw/zinc/17/65/48/1286176548.db2.gz 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369.345 0.825 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001605755157 1288074488 /nfs/dbraw/zinc/07/44/88/1288074488.db2.gz MMJUJQXKAGTOAO-UHFFFAOYSA-N 0 1 372.349 0.805 20 5 FCBDMN C[N@H+]1CCC[C@](O)(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC001606226665 1288216309 /nfs/dbraw/zinc/21/63/09/1288216309.db2.gz JOEHNQQUYHFJIE-SJORKVTESA-N 0 1 365.386 0.858 20 5 FCBDMN O=C(NC1CC1)[C@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001606648204 1288423780 /nfs/dbraw/zinc/42/37/80/1288423780.db2.gz NPJNOYRSWUEMHA-ZDUSSCGKSA-N 0 1 354.330 0.839 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC=CO2)c1-c1nn[nH]n1 ZINC001607085124 1288651776 /nfs/dbraw/zinc/65/17/76/1288651776.db2.gz KCKJNJREDAUGLH-SECBINFHSA-N 0 1 366.359 0.746 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@@H](CF)C2)c1-c1nn[nH]n1 ZINC001607085547 1288653702 /nfs/dbraw/zinc/65/37/02/1288653702.db2.gz VEVQRFUTADMLPA-QMMMGPOBSA-N 0 1 372.338 0.134 20 5 FCBDMN 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O=C(NCc1c[nH]nn1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000615164741 492076350 /nfs/dbraw/zinc/07/63/50/492076350.db2.gz KLRXCVRWJFXDRP-UHFFFAOYSA-N 0 1 362.302 0.129 20 5 FCBDMN COCc1nc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000598053970 492082012 /nfs/dbraw/zinc/08/20/12/492082012.db2.gz JMKHVLBFWUUJQL-UHFFFAOYSA-N 0 1 351.319 0.563 20 5 FCBDMN COCc1nnc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[nH]1 ZINC000598053970 492082015 /nfs/dbraw/zinc/08/20/15/492082015.db2.gz JMKHVLBFWUUJQL-UHFFFAOYSA-N 0 1 351.319 0.563 20 5 FCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2nccn2C)C(C)(C)CO)n1 ZINC000599319872 492159985 /nfs/dbraw/zinc/15/99/85/492159985.db2.gz MULBLXFXDKIJLR-SNVBAGLBSA-N 0 1 372.407 0.100 20 5 FCBDMN O=c1ccc([C@@H]2OCC[C@H]2NS(=O)(=O)c2ncccc2[N+](=O)[O-])c[nH]1 ZINC000599466239 492177314 /nfs/dbraw/zinc/17/73/14/492177314.db2.gz BLFACJYIDZKGDZ-MFKMUULPSA-N 0 1 366.355 0.899 20 5 FCBDMN Cc1[nH]nc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000609166515 492199191 /nfs/dbraw/zinc/19/91/91/492199191.db2.gz DLJWJBCZLKPNER-QWRGUYRKSA-N 0 1 372.403 0.435 20 5 FCBDMN Cn1cnnc1Sc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000609526222 492211679 /nfs/dbraw/zinc/21/16/79/492211679.db2.gz KMGHJYQJAUATQJ-UHFFFAOYSA-N 0 1 360.359 0.923 20 5 FCBDMN Cc1nn(Cc2ccc(C(=O)NCc3nn[nH]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000609532873 492211840 /nfs/dbraw/zinc/21/18/40/492211840.db2.gz RTBCAMPYDSZWAZ-UHFFFAOYSA-N 0 1 356.346 0.900 20 5 FCBDMN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000609532225 492211966 /nfs/dbraw/zinc/21/19/66/492211966.db2.gz IILBPVQVHRTTJR-GFCCVEGCSA-N 0 1 359.346 0.337 20 5 FCBDMN COc1ccc(NC(=O)C(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599890383 492214607 /nfs/dbraw/zinc/21/46/07/492214607.db2.gz RUBKEISRKGJQMD-ZDUSSCGKSA-N 0 1 350.375 0.998 20 5 FCBDMN COc1cc(CCNC(=O)NC[C@H]2COCCN2)c([N+](=O)[O-])cc1OC ZINC000599911141 492217001 /nfs/dbraw/zinc/21/70/01/492217001.db2.gz UHDNKTOIADEDBC-LBPRGKRZSA-N 0 1 368.390 0.442 20 5 FCBDMN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000610922595 492269851 /nfs/dbraw/zinc/26/98/51/492269851.db2.gz DZHLWOBYEBHYDQ-VIFPVBQESA-N 0 1 359.408 0.595 20 5 FCBDMN CCN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088268 492277741 /nfs/dbraw/zinc/27/77/41/492277741.db2.gz NETJJEPBUJDVPO-CYBMUJFWSA-N 0 1 363.418 0.947 20 5 FCBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871505 492280655 /nfs/dbraw/zinc/28/06/55/492280655.db2.gz LRIRVOJUOYNXTP-AWEZNQCLSA-N 0 1 351.407 0.895 20 5 FCBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425066099 535949972 /nfs/dbraw/zinc/94/99/72/535949972.db2.gz NFVMBZWDQJFALY-MNOVXSKESA-N 0 1 362.394 0.961 20 5 FCBDMN COC[C@@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423901086 536655838 /nfs/dbraw/zinc/65/58/38/536655838.db2.gz NDVFJMHBLKHZLL-GFCCVEGCSA-N 0 1 362.390 0.484 20 5 FCBDMN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000416487779 546916024 /nfs/dbraw/zinc/91/60/24/546916024.db2.gz MINRYGNFWWFGQE-SSDOTTSWSA-N 0 1 369.359 0.847 20 5 FCBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000591756747 546939755 /nfs/dbraw/zinc/93/97/55/546939755.db2.gz YJNQCZFLEGZEDC-SWLSCSKDSA-N 0 1 357.432 0.677 20 5 FCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357146 546948249 /nfs/dbraw/zinc/94/82/49/546948249.db2.gz RCTOYIAEBLMBIU-LBPRGKRZSA-N 0 1 367.387 0.923 20 5 FCBDMN CN1CC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)S1(=O)=O ZINC000592946615 546961491 /nfs/dbraw/zinc/96/14/91/546961491.db2.gz RPTGVJKBMNQLDY-SNVBAGLBSA-N 0 1 366.359 0.352 20 5 FCBDMN C[C@H](CCO)N(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000593518271 546969736 /nfs/dbraw/zinc/96/97/36/546969736.db2.gz JCZKYKAIJGXNJT-GFCCVEGCSA-N 0 1 374.463 0.642 20 5 FCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000593653066 546986935 /nfs/dbraw/zinc/98/69/35/546986935.db2.gz ABHDDGRKCWFOLK-UHFFFAOYSA-N 0 1 352.376 0.219 20 5 FCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2n[nH]c([C@H]3CCCO3)n2)nc1 ZINC000594474311 546999853 /nfs/dbraw/zinc/99/98/53/546999853.db2.gz STXHPOYAVJPGDB-SECBINFHSA-N 0 1 354.348 0.438 20 5 FCBDMN COC(=O)c1conc1C(C)(C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594785914 547010653 /nfs/dbraw/zinc/01/06/53/547010653.db2.gz VHUCEEMFUPDPAY-UHFFFAOYSA-N 0 1 370.343 0.978 20 5 FCBDMN COCCOc1ccc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])nn1 ZINC000594794501 547011545 /nfs/dbraw/zinc/01/15/45/547011545.db2.gz MEDZSXDVGDWHND-UHFFFAOYSA-N 0 1 369.359 0.284 20 5 FCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000549610971 547017403 /nfs/dbraw/zinc/01/74/03/547017403.db2.gz SETIQBFPRNLFMC-UHFFFAOYSA-N 0 1 367.387 0.530 20 5 FCBDMN CCn1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])n1 ZINC000549903703 547018150 /nfs/dbraw/zinc/01/81/50/547018150.db2.gz NDFQUBYOZKEBTE-AWEZNQCLSA-N 0 1 357.436 0.918 20 5 FCBDMN COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000420414260 547340541 /nfs/dbraw/zinc/34/05/41/547340541.db2.gz DNTJIDJMJOSMAS-VHSXEESVSA-N 0 1 357.388 0.752 20 5 FCBDMN Cc1nc(CC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000948489535 674379721 /nfs/dbraw/zinc/37/97/21/674379721.db2.gz XFFSDNWNGXEOCF-CHWSQXEVSA-N 0 1 352.416 0.766 20 5 FCBDMN Cc1nnsc1C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948760842 674385457 /nfs/dbraw/zinc/38/54/57/674385457.db2.gz RADHWVMCBLSTDR-GHMZBOCLSA-N 0 1 353.404 0.480 20 5 FCBDMN Cn1nc(C(=O)NCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1Cl ZINC000948927841 674390260 /nfs/dbraw/zinc/39/02/60/674390260.db2.gz HLAHMKQOAVXRCB-ZYHUDNBSSA-N 0 1 369.809 0.707 20 5 FCBDMN Cn1ncc(C(=O)NCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1Cl ZINC000948928289 674390504 /nfs/dbraw/zinc/39/05/04/674390504.db2.gz LGRVWOSEMMAHPH-ZYHUDNBSSA-N 0 1 369.809 0.707 20 5 FCBDMN Cn1ncc(Cl)c1C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948977229 674391354 /nfs/dbraw/zinc/39/13/54/674391354.db2.gz RQQLFBNQTKRLLO-ZYHUDNBSSA-N 0 1 369.809 0.707 20 5 FCBDMN CCc1nnsc1C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000949131314 674395644 /nfs/dbraw/zinc/39/56/44/674395644.db2.gz ZVTDMFRNGWNUOC-ZYHUDNBSSA-N 0 1 367.431 0.734 20 5 FCBDMN CCc1cc(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000949210843 674397592 /nfs/dbraw/zinc/39/75/92/674397592.db2.gz TXCINCVTIXRVMV-TZMCWYRMSA-N 0 1 350.375 0.871 20 5 FCBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823639859 599051605 /nfs/dbraw/zinc/05/16/05/599051605.db2.gz JJIQWMNFVYODHW-LBPRGKRZSA-N 0 1 359.390 0.933 20 5 FCBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737919922 599255886 /nfs/dbraw/zinc/25/58/86/599255886.db2.gz NNDUXTHOFOGPRD-UHFFFAOYSA-N 0 1 359.277 0.748 20 5 FCBDMN O=[N+]([O-])c1cc(N2CC[C@@H](CN3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC000823634808 607347584 /nfs/dbraw/zinc/34/75/84/607347584.db2.gz MJRXAHHRVUDDSZ-LBPRGKRZSA-N 0 1 359.390 0.933 20 5 FCBDMN O=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000952271537 674475177 /nfs/dbraw/zinc/47/51/77/674475177.db2.gz RZMZLIHMNPJHNM-ZIAGYGMSSA-N 0 1 350.350 0.854 20 5 FCBDMN CC(C)(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952680453 674479808 /nfs/dbraw/zinc/47/98/08/674479808.db2.gz GFVREOOFPOVAFY-YVECIDJPSA-N 0 1 351.403 0.859 20 5 FCBDMN C[C@@H](C[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000736570731 600374691 /nfs/dbraw/zinc/37/46/91/600374691.db2.gz FTTMWZFRGMXLCP-ZDUSSCGKSA-N 0 1 364.402 0.896 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC2=CCOCC2)CC1 ZINC000953929184 674486589 /nfs/dbraw/zinc/48/65/89/674486589.db2.gz ZUBIKSXILSHWNK-HUUCEWRRSA-N 0 1 351.403 0.838 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC000953928831 674486658 /nfs/dbraw/zinc/48/66/58/674486658.db2.gz LVJADIQMVMRRFR-CHWSQXEVSA-N 0 1 357.382 0.620 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2c(F)cccc2F)C1 ZINC000954239457 674492448 /nfs/dbraw/zinc/49/24/48/674492448.db2.gz IMGLEOWFOWELAY-BXUZGUMPSA-N 0 1 353.325 0.842 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1-c1nn[nH]n1 ZINC000826499884 607611241 /nfs/dbraw/zinc/61/12/41/607611241.db2.gz CTHHGCLFXDBHSF-MRVPVSSYSA-N 0 1 354.348 0.232 20 5 FCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2ccon2)CC1 ZINC000956369945 674521906 /nfs/dbraw/zinc/52/19/06/674521906.db2.gz AEHBFBDKXKXEKY-CHWSQXEVSA-N 0 1 350.375 0.770 20 5 FCBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)(C)O ZINC000824641035 607630301 /nfs/dbraw/zinc/63/03/01/607630301.db2.gz RPFQQYZRWMWHOR-ZETCQYMHSA-N 0 1 356.364 0.213 20 5 FCBDMN C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000824670645 607636538 /nfs/dbraw/zinc/63/65/38/607636538.db2.gz SUSLOQDOFBRRCG-CYBMUJFWSA-N 0 1 368.375 0.214 20 5 FCBDMN C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824689540 607641314 /nfs/dbraw/zinc/64/13/14/607641314.db2.gz MHIUXPQODPSOOX-RKDXNWHRSA-N 0 1 370.391 0.460 20 5 FCBDMN CC[C@H](O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825154736 607645587 /nfs/dbraw/zinc/64/55/87/607645587.db2.gz SMBRXXZIZRZYRT-VIFPVBQESA-N 0 1 370.391 0.604 20 5 FCBDMN CC(C)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824337637 607663544 /nfs/dbraw/zinc/66/35/44/607663544.db2.gz FDYFSHQAVNLXKP-MRVPVSSYSA-N 0 1 356.364 0.070 20 5 FCBDMN C[C@@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824402149 607668625 /nfs/dbraw/zinc/66/86/25/607668625.db2.gz VBDFHWKGOXOLTA-QMMMGPOBSA-N 0 1 356.364 0.214 20 5 FCBDMN CS[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826226072 607744362 /nfs/dbraw/zinc/74/43/62/607744362.db2.gz RLFUJCWZDVRVCV-ZETCQYMHSA-N 0 1 358.405 0.805 20 5 FCBDMN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825148084 608054925 /nfs/dbraw/zinc/05/49/25/608054925.db2.gz NZMPJLGSWCTGGT-SSDOTTSWSA-N 0 1 370.347 0.005 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccncc2)c1-c1nn[nH]n1 ZINC000826500178 608416148 /nfs/dbraw/zinc/41/61/48/608416148.db2.gz NUKLEYCOKFTYPB-UHFFFAOYSA-N 0 1 361.343 0.648 20 5 FCBDMN O=C(NCCN(CCO)C(=O)C1(C(F)F)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001058491110 663139728 /nfs/dbraw/zinc/13/97/28/663139728.db2.gz AVBQGAAYVYUCOJ-GHMZBOCLSA-N 0 1 363.361 0.414 20 5 FCBDMN CC(C)(C)C(=O)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010586694 663222584 /nfs/dbraw/zinc/22/25/84/663222584.db2.gz YYSJJZWPTWUUSR-VXGBXAGGSA-N 0 1 351.403 0.718 20 5 FCBDMN O=C(NCCN(CCO)C(=O)c1cc[nH]c1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001058598339 664016661 /nfs/dbraw/zinc/01/66/61/664016661.db2.gz ICGYNPKQVASEIF-CHWSQXEVSA-N 0 1 350.375 0.108 20 5 FCBDMN COCc1ccsc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973252491 664084114 /nfs/dbraw/zinc/08/41/14/664084114.db2.gz JWDCCORNTZZMAS-DDHJBXDOSA-N 0 1 353.400 0.937 20 5 FCBDMN 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IZGDGJNGNCRERM-DGCLKSJQSA-N 0 1 362.390 0.437 20 5 FCBDMN Cc1cc(=O)c(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cn1C ZINC001063377385 1254334987 /nfs/dbraw/zinc/33/49/87/1254334987.db2.gz DHTGGNLXQLONNB-DGCLKSJQSA-N 0 1 362.386 0.128 20 5 FCBDMN Cn1nc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cc1C1CC1 ZINC001063392706 1254335047 /nfs/dbraw/zinc/33/50/47/1254335047.db2.gz MFGNQWIHPQPNGK-BXUZGUMPSA-N 0 1 361.402 0.731 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ncnc2[nH]ccc21 ZINC001063712446 1254381895 /nfs/dbraw/zinc/38/18/95/1254381895.db2.gz KOXPDBANSRDXID-GHMZBOCLSA-N 0 1 358.358 0.343 20 5 FCBDMN O=C(CCCCc1cn[nH]n1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001063700113 1254382218 /nfs/dbraw/zinc/38/22/18/1254382218.db2.gz TYKRIPNWMKLTKV-CHWSQXEVSA-N 0 1 364.406 0.338 20 5 FCBDMN CCN(C(=O)Cc1cnccc1OC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080015668 1255709171 /nfs/dbraw/zinc/70/91/71/1255709171.db2.gz SPNAKDQFVAYXBO-ZIAGYGMSSA-N 0 1 362.386 0.357 20 5 FCBDMN CCN(C(=O)C1(NC(C)=O)CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080077995 1255735038 /nfs/dbraw/zinc/73/50/38/1255735038.db2.gz AUZSRCOSGPWMSX-ZIAGYGMSSA-N 0 1 366.418 0.160 20 5 FCBDMN CCCNC(=O)CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080151785 1255762187 /nfs/dbraw/zinc/76/21/87/1255762187.db2.gz YLKVQEGGEIWXES-ZIAGYGMSSA-N 0 1 368.434 0.407 20 5 FCBDMN CCN(C(=O)Cc1ccc(OC)cc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080522324 1255916845 /nfs/dbraw/zinc/91/68/45/1255916845.db2.gz JEEFWICSCKNZAU-HZPDHXFCSA-N 0 1 361.398 0.962 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccccc1F ZINC001080687313 1255988772 /nfs/dbraw/zinc/98/87/72/1255988772.db2.gz LRDHREDCLSJORB-TZMCWYRMSA-N 0 1 365.361 0.574 20 5 FCBDMN O=C(/C=C/c1ccc[nH]1)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856715 1256057867 /nfs/dbraw/zinc/05/78/67/1256057867.db2.gz RGVLBHXHUZFOBZ-LSMGEYOZSA-N 0 1 362.386 0.163 20 5 FCBDMN CC(C)OCCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080905010 1256084174 /nfs/dbraw/zinc/08/41/74/1256084174.db2.gz INXIXZGSJVRRKB-ZIAGYGMSSA-N 0 1 371.434 0.327 20 5 FCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)Cc1cnc[nH]1 ZINC001081083624 1256171041 /nfs/dbraw/zinc/17/10/41/1256171041.db2.gz NEHIJRREVDEMDD-HUUCEWRRSA-N 0 1 363.418 0.705 20 5 FCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)Cn1cncn1 ZINC001081083327 1256171687 /nfs/dbraw/zinc/17/16/87/1256171687.db2.gz BLVURLRLXQGQGS-ZIAGYGMSSA-N 0 1 364.406 0.030 20 5 FCBDMN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001261617601 1260166997 /nfs/dbraw/zinc/16/69/97/1260166997.db2.gz PFYARQNHIDYFQK-UHFFFAOYSA-N 0 1 361.362 0.337 20 5 FCBDMN CN1CCN(C2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CC1 ZINC001324619104 1264679952 /nfs/dbraw/zinc/67/99/52/1264679952.db2.gz WWSRYEGWEQEXDD-UHFFFAOYSA-N 0 1 362.386 0.438 20 5 FCBDMN CN(C)[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC001327285209 1265277048 /nfs/dbraw/zinc/27/70/48/1265277048.db2.gz YUICPOBNTUPDOK-HNNXBMFYSA-N 0 1 374.401 0.327 20 5 FCBDMN CN(C(=O)CCCc1c[nH]nn1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001576723276 1273592621 /nfs/dbraw/zinc/59/26/21/1273592621.db2.gz CYFSDDGUVJKUAU-UHFFFAOYSA-N 0 1 362.394 0.112 20 5 FCBDMN CN(C(=O)CCCc1cnn[nH]1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001576723276 1273592626 /nfs/dbraw/zinc/59/26/26/1273592626.db2.gz CYFSDDGUVJKUAU-UHFFFAOYSA-N 0 1 362.394 0.112 20 5 FCBDMN O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CCC(c2c[nH]nn2)CC1 ZINC001578030735 1275307190 /nfs/dbraw/zinc/30/71/90/1275307190.db2.gz JWLWJMOJTVWRPL-UHFFFAOYSA-N 0 1 369.345 0.708 20 5 FCBDMN O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CCC(c2cnn[nH]2)CC1 ZINC001578030735 1275307199 /nfs/dbraw/zinc/30/71/99/1275307199.db2.gz JWLWJMOJTVWRPL-UHFFFAOYSA-N 0 1 369.345 0.708 20 5 FCBDMN CC(C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589721730 1282963824 /nfs/dbraw/zinc/96/38/24/1282963824.db2.gz SHFGDNXXYKYQRC-UHFFFAOYSA-N 0 1 357.330 0.614 20 5 FCBDMN CC[C@](C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OC ZINC001590381355 1283508448 /nfs/dbraw/zinc/50/84/48/1283508448.db2.gz JUQMDRNCAFAAJM-CYBMUJFWSA-N 0 1 370.391 0.868 20 5 FCBDMN CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590578746 1283617403 /nfs/dbraw/zinc/61/74/03/1283617403.db2.gz KRJXKMFGCUOPOG-VIFPVBQESA-N 0 1 369.407 0.571 20 5 FCBDMN COCC[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591398121 1284537807 /nfs/dbraw/zinc/53/78/07/1284537807.db2.gz AGCACSPWAOUPMF-VIFPVBQESA-N 0 1 370.391 0.726 20 5 FCBDMN C[NH+](C)C[C@@]1(O)CCCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604680948 1287727063 /nfs/dbraw/zinc/72/70/63/1287727063.db2.gz RXJAANKBMPUBDK-ZDUSSCGKSA-N 0 1 353.408 0.729 20 5 FCBDMN C[NH+](C)C[C@@]1(O)CCCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604680948 1287727069 /nfs/dbraw/zinc/72/70/69/1287727069.db2.gz RXJAANKBMPUBDK-ZDUSSCGKSA-N 0 1 353.408 0.729 20 5 FCBDMN Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007809 1285056847 /nfs/dbraw/zinc/05/68/47/1285056847.db2.gz MHFLPJXHHWWYEC-UHFFFAOYSA-N 0 1 374.405 0.294 20 5 FCBDMN Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007809 1285056852 /nfs/dbraw/zinc/05/68/52/1285056852.db2.gz MHFLPJXHHWWYEC-UHFFFAOYSA-N 0 1 374.405 0.294 20 5 FCBDMN Cc1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc([N+](=O)[O-])ccc32)no1 ZINC001592363041 1285278278 /nfs/dbraw/zinc/27/82/78/1285278278.db2.gz RLMWGYAFMMROOH-UHFFFAOYSA-N 0 1 354.286 0.830 20 5 FCBDMN Nc1cc(N2CC[NH+](C3CCOCC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760108 1285682497 /nfs/dbraw/zinc/68/24/97/1285682497.db2.gz SBTOPXOGPZXLAX-UHFFFAOYSA-N 0 1 374.405 0.658 20 5 FCBDMN Nc1cc(N2CC[NH+](C3CCOCC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760108 1285682506 /nfs/dbraw/zinc/68/25/06/1285682506.db2.gz SBTOPXOGPZXLAX-UHFFFAOYSA-N 0 1 374.405 0.658 20 5 FCBDMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21)C(F)F ZINC001592936721 1285825703 /nfs/dbraw/zinc/82/57/03/1285825703.db2.gz YSLUOIIYEBPGGZ-UHFFFAOYSA-N 0 1 350.241 0.924 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001593466602 1286170913 /nfs/dbraw/zinc/17/09/13/1286170913.db2.gz UNKIXBPBLBLVQU-GFCCVEGCSA-N 0 1 374.405 0.907 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001593466602 1286170918 /nfs/dbraw/zinc/17/09/18/1286170918.db2.gz UNKIXBPBLBLVQU-GFCCVEGCSA-N 0 1 374.405 0.907 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CSC2)c1-c1nn[nH]n1 ZINC001593485137 1286174648 /nfs/dbraw/zinc/17/46/48/1286174648.db2.gz JHWXQGBWTCNWRU-UHFFFAOYSA-N 0 1 356.389 0.416 20 5 FCBDMN C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609289943 1289058440 /nfs/dbraw/zinc/05/84/40/1289058440.db2.gz XSHRIUCBHVTSLD-SECBINFHSA-N 0 1 367.391 0.147 20 5 FCBDMN COC(=O)Cc1ccc(NCCn2cnc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1 ZINC001609299745 1289071234 /nfs/dbraw/zinc/07/12/34/1289071234.db2.gz NBRPBLIHYYOZEY-UHFFFAOYSA-N 0 1 373.333 0.194 20 5 FCBDMN CO[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609308284 1289082142 /nfs/dbraw/zinc/08/21/42/1289082142.db2.gz IQKHBMNMAVCGJG-QMMMGPOBSA-N 0 1 356.364 0.430 20 5 FCBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601214764 1286699943 /nfs/dbraw/zinc/69/99/43/1286699943.db2.gz PNVKWOAQPFHFEQ-INIZCTEOSA-N 0 1 364.358 0.179 20 5 FCBDMN CC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c1 ZINC001602979090 1287171102 /nfs/dbraw/zinc/17/11/02/1287171102.db2.gz LNGAYLGLIGWXLW-UHFFFAOYSA-N 0 1 356.302 0.813 20 5 FCBDMN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cnc(-c2nn[nH]n2)n1 ZINC001603003158 1287178256 /nfs/dbraw/zinc/17/82/56/1287178256.db2.gz CYDZBESDRMFYDL-QMMMGPOBSA-N 0 1 355.318 0.517 20 5 FCBDMN CN1CCN(CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604866190 1287804081 /nfs/dbraw/zinc/80/40/81/1287804081.db2.gz GNIAOUHRJXGARE-UHFFFAOYSA-N 0 1 350.358 0.573 20 5 FCBDMN Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605697584 1288053417 /nfs/dbraw/zinc/05/34/17/1288053417.db2.gz NGVLUBVMKGPJRX-UHFFFAOYSA-N 0 1 374.405 0.294 20 5 FCBDMN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001607082357 1288652110 /nfs/dbraw/zinc/65/21/10/1288652110.db2.gz NOHLMCKJEPDFRG-DZGCQCFKSA-N 0 1 359.390 0.810 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCSC2)c1-c1nn[nH]n1 ZINC001607085554 1288653342 /nfs/dbraw/zinc/65/33/42/1288653342.db2.gz VJDHZULQPLZLIZ-UHFFFAOYSA-N 0 1 356.389 0.860 20 5 FCBDMN O=C([O-])[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001608308519 1288816367 /nfs/dbraw/zinc/81/63/67/1288816367.db2.gz VNIGUZWFLFQXKV-ONGXEEELSA-N 0 1 355.322 0.830 20 5 FCBDMN C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001609071023 1288901784 /nfs/dbraw/zinc/90/17/84/1288901784.db2.gz UGXFZHZTXVYQFP-SECBINFHSA-N 0 1 357.334 0.286 20 5 FCBDMN 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364.402 0.090 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)N1CCc2ccccc2C1 ZINC001582192335 1281169426 /nfs/dbraw/zinc/16/94/26/1281169426.db2.gz TUUDHICIXHSKAL-UHFFFAOYSA-N 0 1 354.330 0.556 20 5 FCBDMN O=C(c1ccn[nH]1)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001582694005 1281905058 /nfs/dbraw/zinc/90/50/58/1281905058.db2.gz RVEKUUFJZLYPKT-UHFFFAOYSA-N 0 1 369.345 0.460 20 5 FCBDMN CC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001588785866 1282698754 /nfs/dbraw/zinc/69/87/54/1282698754.db2.gz NOXFXCQUPOHLTE-UHFFFAOYSA-N 0 1 352.332 0.175 20 5 FCBDMN C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588996300 1282761181 /nfs/dbraw/zinc/76/11/81/1282761181.db2.gz PVCWHNZTALANRH-SECBINFHSA-N 0 1 357.334 0.286 20 5 FCBDMN C[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001589029460 1282776797 /nfs/dbraw/zinc/77/67/97/1282776797.db2.gz BEDBDDHUSJMJAQ-SECBINFHSA-N 0 1 358.318 0.713 20 5 FCBDMN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001589926183 1283135105 /nfs/dbraw/zinc/13/51/05/1283135105.db2.gz WJXQQSVXUNGCQD-MRVPVSSYSA-N 0 1 360.309 0.988 20 5 FCBDMN CC1(C)COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590111506 1283223626 /nfs/dbraw/zinc/22/36/26/1283223626.db2.gz NUKJYZICDLOGNF-JTQLQIEISA-N 0 1 368.375 0.478 20 5 FCBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[C@@H]1O ZINC001590312988 1283458072 /nfs/dbraw/zinc/45/80/72/1283458072.db2.gz NNJDLOAPGMOBEZ-SCZZXKLOSA-N 0 1 368.375 0.166 20 5 FCBDMN CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590421388 1283532066 /nfs/dbraw/zinc/53/20/66/1283532066.db2.gz IKUJEMAEMKYOEB-DTWKUNHWSA-N 0 1 370.391 0.603 20 5 FCBDMN CN(C)C(=O)Cc1nc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cs1 ZINC001591004043 1284064672 /nfs/dbraw/zinc/06/46/72/1284064672.db2.gz OQXDAZMPGQWWMT-UHFFFAOYSA-N 0 1 363.363 0.107 20 5 FCBDMN C[N@@H+](CCO)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591108671 1284181535 /nfs/dbraw/zinc/18/15/35/1284181535.db2.gz SJOPLWIGYNYTBW-UHFFFAOYSA-N 0 1 358.362 0.659 20 5 FCBDMN CN(C(=O)COc1cnc(-c2nn[nH]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001604641670 1287704745 /nfs/dbraw/zinc/70/47/45/1287704745.db2.gz UJHLFACVGXRTLX-UHFFFAOYSA-N 0 1 356.302 0.607 20 5 FCBDMN COC[C@H]1CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591393587 1284532641 /nfs/dbraw/zinc/53/26/41/1284532641.db2.gz DUXPZDCHTTZZRK-MRVPVSSYSA-N 0 1 354.348 0.184 20 5 FCBDMN COc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001591611224 1284770747 /nfs/dbraw/zinc/77/07/47/1284770747.db2.gz SPHRPQLUPLNKSN-SSDOTTSWSA-N 0 1 359.306 0.575 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001592068800 1285108459 /nfs/dbraw/zinc/10/84/59/1285108459.db2.gz QLTFSZBUMWXQAL-UHFFFAOYSA-N 0 1 358.322 0.497 20 5 FCBDMN Cc1nnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc([N+](=O)[O-])ccc32)o1 ZINC001592443449 1285381132 /nfs/dbraw/zinc/38/11/32/1285381132.db2.gz GVEGIIWDHYXHAJ-UHFFFAOYSA-N 0 1 354.286 0.830 20 5 FCBDMN CCn1ncnc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609260768 1289026259 /nfs/dbraw/zinc/02/62/59/1289026259.db2.gz QNAYCMULQUQOAM-UHFFFAOYSA-N 0 1 367.329 0.750 20 5 FCBDMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21)NC1CC1 ZINC001592935775 1285823207 /nfs/dbraw/zinc/82/32/07/1285823207.db2.gz BHEXHPSVTYVXTG-UHFFFAOYSA-N 0 1 355.314 0.368 20 5 FCBDMN CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609271376 1289035697 /nfs/dbraw/zinc/03/56/97/1289035697.db2.gz MZEMWJFMJRPLIG-UHFFFAOYSA-N 0 1 367.391 0.147 20 5 FCBDMN CN(CCCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609275272 1289040296 /nfs/dbraw/zinc/04/02/96/1289040296.db2.gz RRZPLLPBDKKBJU-UHFFFAOYSA-N 0 1 356.364 0.168 20 5 FCBDMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001593112536 1286013076 /nfs/dbraw/zinc/01/30/76/1286013076.db2.gz PCQXRVAUIRJZEQ-UHFFFAOYSA-N 0 1 363.725 0.450 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593466538 1286171402 /nfs/dbraw/zinc/17/14/02/1286171402.db2.gz JAJAPOUPQRCLPN-LBPRGKRZSA-N 0 1 359.390 0.810 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466538 1286171406 /nfs/dbraw/zinc/17/14/06/1286171406.db2.gz JAJAPOUPQRCLPN-LBPRGKRZSA-N 0 1 359.390 0.810 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593466538 1286171409 /nfs/dbraw/zinc/17/14/09/1286171409.db2.gz JAJAPOUPQRCLPN-LBPRGKRZSA-N 0 1 359.390 0.810 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593466538 1286171411 /nfs/dbraw/zinc/17/14/11/1286171411.db2.gz JAJAPOUPQRCLPN-LBPRGKRZSA-N 0 1 359.390 0.810 20 5 FCBDMN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCN(Cc2nnc[nH]2)CC1 ZINC001593467544 1286172747 /nfs/dbraw/zinc/17/27/47/1286172747.db2.gz BEUBJHRXPMHKEL-UHFFFAOYSA-N 0 1 356.350 0.215 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1-c1nn[nH]n1 ZINC001593485545 1286173484 /nfs/dbraw/zinc/17/34/84/1286173484.db2.gz RBJHUHBEDUHRHE-BDAKNGLRSA-N 0 1 368.375 0.214 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1-c1nn[nH]n1 ZINC001593485363 1286174786 /nfs/dbraw/zinc/17/47/86/1286174786.db2.gz OEHVPHKWNINTMQ-DTWKUNHWSA-N 0 1 350.360 0.852 20 5 FCBDMN O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001593486839 1286175766 /nfs/dbraw/zinc/17/57/66/1286175766.db2.gz QBLYJTXOSGYLHW-UHFFFAOYSA-N 0 1 354.334 0.287 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001593487214 1286176345 /nfs/dbraw/zinc/17/63/45/1286176345.db2.gz FPGQVFADOXTAQN-ZJUUUORDSA-N 0 1 365.419 0.872 20 5 FCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001600551773 1286506226 /nfs/dbraw/zinc/50/62/26/1286506226.db2.gz CSVGURFVVVBBQU-NSHDSACASA-N 0 1 357.388 0.540 20 5 FCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001600551773 1286506230 /nfs/dbraw/zinc/50/62/30/1286506230.db2.gz CSVGURFVVVBBQU-NSHDSACASA-N 0 1 357.388 0.540 20 5 FCBDMN Cc1nn(CCC(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001600784539 1286544798 /nfs/dbraw/zinc/54/47/98/1286544798.db2.gz ONNRMYNFWGGACC-LLVKDONJSA-N 0 1 367.406 0.806 20 5 FCBDMN Cn1nccc1[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001601034828 1286612479 /nfs/dbraw/zinc/61/24/79/1286612479.db2.gz WRUBHOGFVUPYEF-ZDUSSCGKSA-N 0 1 368.371 0.518 20 5 FCBDMN O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CC=Cc1ccccc1[N+](=O)[O-] ZINC001602199239 1286965688 /nfs/dbraw/zinc/96/56/88/1286965688.db2.gz HAKYCGAUYOWIPV-FLBZCCBISA-N 0 1 374.353 0.687 20 5 FCBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)n1cnc(-c3nn[nH]n3)n1)CC2 ZINC001605756636 1288073672 /nfs/dbraw/zinc/07/36/72/1288073672.db2.gz JDMWFJQDOPZZJN-SECBINFHSA-N 0 1 369.345 0.825 20 5 FCBDMN CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606771185 1288505471 /nfs/dbraw/zinc/50/54/71/1288505471.db2.gz LQURXSFGMPRYAU-MQIPJXDCSA-N 0 1 354.359 0.899 20 5 FCBDMN O=C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001609588929 1289245217 /nfs/dbraw/zinc/24/52/17/1289245217.db2.gz SZAKUEYJOVKXDI-UHFFFAOYSA-N 0 1 352.332 0.129 20 5 FCBDMN C[C@@](O)(C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(=O)[O-] ZINC001609786199 1289297087 /nfs/dbraw/zinc/29/70/87/1289297087.db2.gz YKERNYXYIJVRHD-MRXNPFEDSA-N 0 1 363.374 0.819 20 5 FCBDMN CN1CC[N@H+](C)C[C@@H]1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610136238 1289391290 /nfs/dbraw/zinc/39/12/90/1289391290.db2.gz CPOVCSGSJJTORO-ZDUSSCGKSA-N 0 1 352.391 0.394 20 5 FCBDMN CN1CC[N@@H+](C)C[C@@H]1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610136238 1289391298 /nfs/dbraw/zinc/39/12/98/1289391298.db2.gz CPOVCSGSJJTORO-ZDUSSCGKSA-N 0 1 352.391 0.394 20 5 FCBDMN Cc1c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610421024 1289483908 /nfs/dbraw/zinc/48/39/08/1289483908.db2.gz MWDQYFJKCGJADV-UHFFFAOYSA-N 0 1 364.358 0.750 20 5 FCBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1C ZINC001610515212 1289499665 /nfs/dbraw/zinc/49/96/65/1289499665.db2.gz YDAJPPNNPPCQCU-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c1C ZINC001610515212 1289499669 /nfs/dbraw/zinc/49/96/69/1289499669.db2.gz YDAJPPNNPPCQCU-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cn1cc(-c2cc(CNC/C=C/CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 ZINC001699256144 1289547063 /nfs/dbraw/zinc/54/70/63/1289547063.db2.gz ZXARCNLRIFTRGT-MZSZDEQASA-N 0 1 360.374 0.502 20 5 FCBDMN CC(C)Oc1cnc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001688325524 1294479656 /nfs/dbraw/zinc/47/96/56/1294479656.db2.gz FXQZPRLWWAZZDT-ZYHUDNBSSA-N 0 1 351.363 0.117 20 5 FCBDMN 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CN(C(=O)c1c(Cl)n[nH]c1C1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954455185 674497629 /nfs/dbraw/zinc/49/76/29/674497629.db2.gz SMTHGOHFFDIGLX-NXEZZACHSA-N 0 1 367.793 0.889 20 5 FCBDMN CN(C(=O)c1cc(C(F)F)n(C)n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954770592 674505185 /nfs/dbraw/zinc/50/51/85/674505185.db2.gz FTGFHOAFUDETQC-PSASIEDQSA-N 0 1 357.317 0.306 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCOC2)c1-c1nn[nH]n1 ZINC000826500379 607594707 /nfs/dbraw/zinc/59/47/07/607594707.db2.gz WOMANAGKKBXCRK-VIFPVBQESA-N 0 1 368.375 0.480 20 5 FCBDMN CC(C)[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824190868 607650487 /nfs/dbraw/zinc/65/04/87/607650487.db2.gz ANMUNTNMLGVUPF-VIFPVBQESA-N 0 1 370.391 0.460 20 5 FCBDMN Cn1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000826363647 607661597 /nfs/dbraw/zinc/66/15/97/607661597.db2.gz VZIJFINMINWBKR-UHFFFAOYSA-N 0 1 363.359 0.592 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2cccc2)c1-c1nn[nH]n1 ZINC000826500053 607664666 /nfs/dbraw/zinc/66/46/66/607664666.db2.gz JNBKGZKJAYAKFF-UHFFFAOYSA-N 0 1 363.359 0.555 20 5 FCBDMN CC[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825153102 607673791 /nfs/dbraw/zinc/67/37/91/607673791.db2.gz FKFPKWWWQBDHPC-MRVPVSSYSA-N 0 1 356.364 0.214 20 5 FCBDMN CS[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826226071 607744220 /nfs/dbraw/zinc/74/42/20/607744220.db2.gz RLFUJCWZDVRVCV-SSDOTTSWSA-N 0 1 358.405 0.805 20 5 FCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000833705951 605689567 /nfs/dbraw/zinc/68/95/67/605689567.db2.gz FDYBDFBRDGAXNP-BNOWGMLFSA-N 0 1 352.343 0.966 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCSCC2)c1-c1nn[nH]n1 ZINC000823648633 606733740 /nfs/dbraw/zinc/73/37/40/606733740.db2.gz ZRNWEPOYIMAYEZ-UHFFFAOYSA-N 0 1 370.416 0.903 20 5 FCBDMN CN(C1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821592782 606736721 /nfs/dbraw/zinc/73/67/21/606736721.db2.gz VELCJRDUEKKPCL-UHFFFAOYSA-N 0 1 368.375 0.574 20 5 FCBDMN CN([C@H]1CCSC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825888854 607907606 /nfs/dbraw/zinc/90/76/06/607907606.db2.gz WSKXHWNBEDXTNR-QMMMGPOBSA-N 0 1 370.416 0.901 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c1-c1nn[nH]n1 ZINC000826500100 607937947 /nfs/dbraw/zinc/93/79/47/607937947.db2.gz LBOJAZPCYYRAQR-PSASIEDQSA-N 0 1 368.375 0.214 20 5 FCBDMN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825148085 608054769 /nfs/dbraw/zinc/05/47/69/608054769.db2.gz NZMPJLGSWCTGGT-ZETCQYMHSA-N 0 1 370.347 0.005 20 5 FCBDMN CS[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000826227437 608438785 /nfs/dbraw/zinc/43/87/85/608438785.db2.gz QZWISMFOWJFIHX-UWVGGRQHSA-N 0 1 350.408 0.652 20 5 FCBDMN CS[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000826227437 608438786 /nfs/dbraw/zinc/43/87/86/608438786.db2.gz QZWISMFOWJFIHX-UWVGGRQHSA-N 0 1 350.408 0.652 20 5 FCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824891955 608756724 /nfs/dbraw/zinc/75/67/24/608756724.db2.gz CWRUAQUVSXHIAQ-BDAKNGLRSA-N 0 1 368.375 0.621 20 5 FCBDMN C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824686888 609582582 /nfs/dbraw/zinc/58/25/82/609582582.db2.gz CYDHXGQBBXSFJM-DTWKUNHWSA-N 0 1 368.375 0.166 20 5 FCBDMN CC(C)c1ccoc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058488205 663139180 /nfs/dbraw/zinc/13/91/80/663139180.db2.gz PONDGSJKOJQYHZ-CHWSQXEVSA-N 0 1 353.375 0.619 20 5 FCBDMN O=C(CCc1cscn1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969308267 663157475 /nfs/dbraw/zinc/15/74/75/663157475.db2.gz CWUIANMBUTUZTH-XJFOESAGSA-N 0 1 364.427 0.943 20 5 FCBDMN COCc1nc(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000947272619 663349022 /nfs/dbraw/zinc/34/90/22/663349022.db2.gz LVWAJYGMTKQWET-ZYHUDNBSSA-N 0 1 368.415 0.676 20 5 FCBDMN COCc1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000973255206 664084476 /nfs/dbraw/zinc/08/44/76/664084476.db2.gz WBCGBLFAIJSCPP-GWOFURMSSA-N 0 1 368.415 0.640 20 5 FCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1[nH]ncc1C(F)(F)F ZINC000973257301 664085267 /nfs/dbraw/zinc/08/52/67/664085267.db2.gz LKBMGDADJUVIFC-JXOAFFINSA-N 0 1 361.280 0.471 20 5 FCBDMN CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000973257032 664085426 /nfs/dbraw/zinc/08/54/26/664085426.db2.gz HIQGYCNHDUFCGK-GWOFURMSSA-N 0 1 350.379 0.075 20 5 FCBDMN O=C(Cc1csc(C2CC2)n1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973257402 664085441 /nfs/dbraw/zinc/08/54/41/664085441.db2.gz LVJYFJLXZNLBJJ-FPQZTECRSA-N 0 1 364.427 0.992 20 5 FCBDMN Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC001058703785 664221667 /nfs/dbraw/zinc/22/16/67/664221667.db2.gz QJRLGZBXLLTQQG-TZMCWYRMSA-N 0 1 369.805 0.864 20 5 FCBDMN CC(=O)Nc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000974114277 664223022 /nfs/dbraw/zinc/22/30/22/664223022.db2.gz CSORNIHPIFYZKZ-PKIKSRDPSA-N 0 1 367.387 0.144 20 5 FCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nc2cccnc2s1 ZINC000974116806 664223434 /nfs/dbraw/zinc/22/34/34/664223434.db2.gz XNRQIIMVGICDQR-PKIKSRDPSA-N 0 1 361.383 0.734 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3scnc3Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976483172 664384932 /nfs/dbraw/zinc/38/49/32/664384932.db2.gz ZGPRWAMWMPZRAP-ZEBDFXRSSA-N 0 1 356.791 0.648 20 5 FCBDMN O=C(CCC1CCOCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976491084 664386167 /nfs/dbraw/zinc/38/61/67/664386167.db2.gz FBXDRBOAAPOPJX-SSZWKKLZSA-N 0 1 351.403 0.431 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccn(C(F)F)n1 ZINC000976574711 664388578 /nfs/dbraw/zinc/38/85/78/664388578.db2.gz ZAAZOWPKENLNKD-KFIJRQPUSA-N 0 1 355.301 0.130 20 5 FCBDMN CCc1nc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)cs1 ZINC000976661261 664393497 /nfs/dbraw/zinc/39/34/97/664393497.db2.gz HTZUGCSQJZGVBD-OVKLUEDNSA-N 0 1 364.427 0.486 20 5 FCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncc(F)cc1F ZINC000978800449 664445602 /nfs/dbraw/zinc/44/56/02/664445602.db2.gz SMAZILGNQNCHDI-DLYFRVTGSA-N 0 1 354.313 0.650 20 5 FCBDMN Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(Cl)nn1C ZINC000978795387 664446026 /nfs/dbraw/zinc/44/60/26/664446026.db2.gz LZUZMCUWORTUIH-LMLFDSFASA-N 0 1 369.809 0.672 20 5 FCBDMN Cn1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1Cl ZINC000978796412 664446038 /nfs/dbraw/zinc/44/60/38/664446038.db2.gz UMRBYCKWUAQJMI-PKIKSRDPSA-N 0 1 355.782 0.363 20 5 FCBDMN CCc1noc(C)c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978808134 664446089 /nfs/dbraw/zinc/44/60/89/664446089.db2.gz AFSCEBJRUPKFTC-LSCVPOLPSA-N 0 1 350.375 0.835 20 5 FCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn(C(F)F)n1 ZINC000978796868 664446147 /nfs/dbraw/zinc/44/61/47/664446147.db2.gz VEBHARIAFLCLHF-PKIKSRDPSA-N 0 1 357.317 0.568 20 5 FCBDMN CCc1[nH]nc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC000978926509 664449342 /nfs/dbraw/zinc/44/93/42/664449342.db2.gz BVJBWPLOEIFPOG-PKIKSRDPSA-N 0 1 369.809 0.915 20 5 FCBDMN CCc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1Cl ZINC000978926509 664449344 /nfs/dbraw/zinc/44/93/44/664449344.db2.gz BVJBWPLOEIFPOG-PKIKSRDPSA-N 0 1 369.809 0.915 20 5 FCBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nc2c(s1)CCC2 ZINC000979025537 664452708 /nfs/dbraw/zinc/45/27/08/664452708.db2.gz VGJYODQCUOULRS-DTHBNOIPSA-N 0 1 364.427 0.922 20 5 FCBDMN Cn1c(Cl)ncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979017316 664453074 /nfs/dbraw/zinc/45/30/74/664453074.db2.gz QUAKKGVXVMETEV-UTINFBMNSA-N 0 1 355.782 0.363 20 5 FCBDMN COc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC000979744114 664461983 /nfs/dbraw/zinc/46/19/83/664461983.db2.gz ADGXCMPMHNGFNB-ZYUZMQFOSA-N 0 1 354.388 0.442 20 5 FCBDMN NC(=O)c1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000979736569 664462134 /nfs/dbraw/zinc/46/21/34/664462134.db2.gz DVTFPIWQQKFVLA-ZYUZMQFOSA-N 0 1 366.399 0.137 20 5 FCBDMN CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979755071 664462570 /nfs/dbraw/zinc/46/25/70/664462570.db2.gz HMWDAXBGIMEOHQ-DNRKLUKYSA-N 0 1 369.809 0.846 20 5 FCBDMN CCOc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000979752062 664462604 /nfs/dbraw/zinc/46/26/04/664462604.db2.gz OCXBRCULVCCCGF-GWOFURMSSA-N 0 1 352.347 0.363 20 5 FCBDMN Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980077041 664469906 /nfs/dbraw/zinc/46/99/06/664469906.db2.gz PLMRUGGUNGHJCN-GWOFURMSSA-N 0 1 369.809 0.672 20 5 FCBDMN 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069742398 208035180 /nfs/dbraw/zinc/03/51/80/208035180.db2.gz GJVLLDZVYARKNQ-AWEZNQCLSA-N 0 1 351.407 0.671 20 5 FCBDMN CCn1nccc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119258029 208357209 /nfs/dbraw/zinc/35/72/09/208357209.db2.gz HUDUEJIQNYRBQF-UHFFFAOYSA-N 0 1 353.404 0.879 20 5 FCBDMN COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000266709206 210386634 /nfs/dbraw/zinc/38/66/34/210386634.db2.gz XVEOBMIPEXGDLS-ZDUSSCGKSA-N 0 1 350.375 0.679 20 5 FCBDMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000266521826 210349121 /nfs/dbraw/zinc/34/91/21/210349121.db2.gz AQMDCQGCCYEZGA-LLVKDONJSA-N 0 1 366.374 0.379 20 5 FCBDMN C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000178005371 209039446 /nfs/dbraw/zinc/03/94/46/209039446.db2.gz KRZONGBPERTFLI-NSHDSACASA-N 0 1 353.404 0.957 20 5 FCBDMN COC(=O)[C@H]1CN(C)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411921802 533489939 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0.426 20 5 FCBDMN CCOc1cc(C(=O)NCCN2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000053718061 488209278 /nfs/dbraw/zinc/20/92/78/488209278.db2.gz YYJCARRNFHLTDE-UHFFFAOYSA-N 0 1 366.418 0.979 20 5 FCBDMN CNS(=O)(=O)c1ccc(NC[C@@H](C)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000057838167 488276290 /nfs/dbraw/zinc/27/62/90/488276290.db2.gz FKWABBZVGUKXFM-GFCCVEGCSA-N 0 1 371.463 0.551 20 5 FCBDMN C=Cn1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000194319077 488432142 /nfs/dbraw/zinc/43/21/42/488432142.db2.gz MMTGIYGFIMREBP-UHFFFAOYSA-N 0 1 351.388 0.960 20 5 FCBDMN Cc1nn(CCC(=O)Nc2nc(SCCO)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000268742609 488446572 /nfs/dbraw/zinc/44/65/72/488446572.db2.gz QXKTWLWAYDGDCR-UHFFFAOYSA-N 0 1 355.380 0.639 20 5 FCBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245871428 488466806 /nfs/dbraw/zinc/46/68/06/488466806.db2.gz GWIPBERGLLEFOC-GJZGRUSLSA-N 0 1 373.413 0.941 20 5 FCBDMN CCc1nn(C)cc1CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000092395216 488474925 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20 5 FCBDMN Cc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000262969624 488601699 /nfs/dbraw/zinc/60/16/99/488601699.db2.gz ROGMRTUFUYWNJC-ZDUSSCGKSA-N 0 1 351.359 0.761 20 5 FCBDMN CN(C)CC(=O)N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127527889 488617912 /nfs/dbraw/zinc/61/79/12/488617912.db2.gz DUZWBZJMIJAJCG-UHFFFAOYSA-N 0 1 363.418 0.263 20 5 FCBDMN COCCN1CC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273006536 488624880 /nfs/dbraw/zinc/62/48/80/488624880.db2.gz QNPLRIJLHBBCET-BLLLJJGKSA-N 0 1 362.386 0.925 20 5 FCBDMN O=C(CCN1C(=O)CCC1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000264019291 488643484 /nfs/dbraw/zinc/64/34/84/488643484.db2.gz IUDNQMCLNFDBST-UHFFFAOYSA-N 0 1 358.314 0.858 20 5 FCBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000264229689 488656804 /nfs/dbraw/zinc/65/68/04/488656804.db2.gz WHTPCANXFHGEMV-NSHDSACASA-N 0 1 351.363 0.480 20 5 FCBDMN COc1cc(OCC(=O)N[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264376257 488668690 /nfs/dbraw/zinc/66/86/90/488668690.db2.gz FUTHEHYZOIKWSB-ZDUSSCGKSA-N 0 1 366.418 0.734 20 5 FCBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC000273732473 488668997 /nfs/dbraw/zinc/66/89/97/488668997.db2.gz PRRKAVBRWRQZDY-JTQLQIEISA-N 0 1 350.379 0.947 20 5 FCBDMN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000273870680 488673314 /nfs/dbraw/zinc/67/33/14/488673314.db2.gz QBOMZBXXUZKHRN-LBPRGKRZSA-N 0 1 354.411 0.274 20 5 FCBDMN COCCN1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000264445398 488674436 /nfs/dbraw/zinc/67/44/36/488674436.db2.gz CFEDIOSNFJUQJX-ZDUSSCGKSA-N 0 1 360.374 0.626 20 5 FCBDMN O=C(NCCN1CCCS1(=O)=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000147675728 488695943 /nfs/dbraw/zinc/69/59/43/488695943.db2.gz QTDPDXSIWKNENO-UHFFFAOYSA-N 0 1 353.360 0.236 20 5 FCBDMN CCc1[nH]nc(C(=O)N2CCC(C(=O)NCCCOC)CC2)c1[N+](=O)[O-] ZINC000264668714 488696213 /nfs/dbraw/zinc/69/62/13/488696213.db2.gz KTBLTCJSNPOLSF-UHFFFAOYSA-N 0 1 367.406 0.885 20 5 FCBDMN COC(=O)Nc1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000275074132 488759145 /nfs/dbraw/zinc/75/91/45/488759145.db2.gz LHOBEKQHVHQLQC-UHFFFAOYSA-N 0 1 370.347 0.412 20 5 FCBDMN C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000158064823 488775385 /nfs/dbraw/zinc/77/53/85/488775385.db2.gz OLEIBVUUZDQTBD-CQSZACIVSA-N 0 1 370.475 0.898 20 5 FCBDMN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000161465759 488797493 /nfs/dbraw/zinc/79/74/93/488797493.db2.gz YDTBGIFJTLNPON-LBPRGKRZSA-N 0 1 351.812 0.839 20 5 FCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161384423 488796217 /nfs/dbraw/zinc/79/62/17/488796217.db2.gz PNIPXVFZULDYJL-NWDGAFQWSA-N 0 1 352.313 0.787 20 5 FCBDMN Cc1cc(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000267986190 488832301 /nfs/dbraw/zinc/83/23/01/488832301.db2.gz XXPNAEGWNAYJTO-UHFFFAOYSA-N 0 1 367.387 0.264 20 5 FCBDMN CS(=O)(=O)c1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570201675 491224554 /nfs/dbraw/zinc/22/45/54/491224554.db2.gz BKAMLFBVQZOKSD-CYBMUJFWSA-N 0 1 354.388 0.346 20 5 FCBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000176055832 488857190 /nfs/dbraw/zinc/85/71/90/488857190.db2.gz GWXHRHPGWIVHPD-UHFFFAOYSA-N 0 1 360.411 0.568 20 5 FCBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366279744 489165970 /nfs/dbraw/zinc/16/59/70/489165970.db2.gz ASBCEVQUDLYRTD-VROVMSAKSA-N 0 1 362.205 0.853 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000282843892 489193870 /nfs/dbraw/zinc/19/38/70/489193870.db2.gz AVYOQRSHWQFJOG-CHWSQXEVSA-N 0 1 366.418 0.929 20 5 FCBDMN C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000331308419 489196556 /nfs/dbraw/zinc/19/65/56/489196556.db2.gz XHDHPVZQQXXMOB-GFCCVEGCSA-N 0 1 353.423 0.830 20 5 FCBDMN CN(C)CC(=O)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286283819 489376129 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492280507 /nfs/dbraw/zinc/28/05/07/492280507.db2.gz LRIRVOJUOYNXTP-CQSZACIVSA-N 0 1 351.407 0.895 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nc([C@H]3CCCN3)no2)c1 ZINC000592356753 546948131 /nfs/dbraw/zinc/94/81/31/546948131.db2.gz HXIOMOUXPUETEE-GFCCVEGCSA-N 0 1 367.387 0.923 20 5 FCBDMN Cn1cc(C[C@H](CO)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000592432931 546950788 /nfs/dbraw/zinc/95/07/88/546950788.db2.gz ZYXRDCDSBMXTQZ-CYBMUJFWSA-N 0 1 368.415 0.295 20 5 FCBDMN Cn1ccnc1[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)CO ZINC000594779932 547009385 /nfs/dbraw/zinc/00/93/85/547009385.db2.gz YCTJQWIVXVDCPF-NSHDSACASA-N 0 1 369.403 0.761 20 5 FCBDMN COCc1nc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000594826493 547014918 /nfs/dbraw/zinc/01/49/18/547014918.db2.gz BJTDUKJXQSQDOG-UHFFFAOYSA-N 0 1 355.376 0.521 20 5 FCBDMN COCc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n[nH]1 ZINC000594827413 547015583 /nfs/dbraw/zinc/01/55/83/547015583.db2.gz INPMRZMEIVRGCS-UHFFFAOYSA-N 0 1 355.376 0.955 20 5 FCBDMN O=C(Cn1cc(Cl)cn1)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948946533 674390857 /nfs/dbraw/zinc/39/08/57/674390857.db2.gz OZCMUDAKFZMJFN-CHWSQXEVSA-N 0 1 369.809 0.557 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nc(CC(C)C)no2)C1 ZINC000950052968 674419558 /nfs/dbraw/zinc/41/95/58/674419558.db2.gz QTGRPVIWTVVKGU-CHWSQXEVSA-N 0 1 351.407 0.966 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC2CCCCC2)C1 ZINC000950052021 674419609 /nfs/dbraw/zinc/41/96/09/674419609.db2.gz CQGYDEBNSYQWSG-HUUCEWRRSA-N 0 1 352.435 0.633 20 5 FCBDMN O=[N+]([O-])c1cnc(N2CCN(C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000823650808 599255724 /nfs/dbraw/zinc/25/57/24/599255724.db2.gz BBXFXXCKVGIRJY-GFCCVEGCSA-N 0 1 360.378 0.471 20 5 FCBDMN CN(C)C(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736747542 598593237 /nfs/dbraw/zinc/59/32/37/598593237.db2.gz QYYPGVJSWWHHIF-UHFFFAOYSA-N 0 1 374.405 0.739 20 5 FCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000738068343 599978938 /nfs/dbraw/zinc/97/89/38/599978938.db2.gz HIHUWLJGTHUZML-ZDUSSCGKSA-N 0 1 353.331 0.717 20 5 FCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000738068343 599978941 /nfs/dbraw/zinc/97/89/41/599978941.db2.gz HIHUWLJGTHUZML-ZDUSSCGKSA-N 0 1 353.331 0.717 20 5 FCBDMN CN(C(=O)c1ccc(F)cn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953885444 674485893 /nfs/dbraw/zinc/48/58/93/674485893.db2.gz SLDRVLZFDNMHTE-TZMCWYRMSA-N 0 1 350.350 0.949 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC000953927241 674486397 /nfs/dbraw/zinc/48/63/97/674486397.db2.gz XNRALXNNAJWELN-ZIAGYGMSSA-N 0 1 353.419 0.918 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC2CCOCC2)CC1 ZINC000953926674 674486426 /nfs/dbraw/zinc/48/64/26/674486426.db2.gz AYLFLLBHQQBQCT-HUUCEWRRSA-N 0 1 353.419 0.918 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ncccc2F)CC1 ZINC000953926868 674486432 /nfs/dbraw/zinc/48/64/32/674486432.db2.gz FMFUQCNCHVAGNW-DGCLKSJQSA-N 0 1 350.350 0.949 20 5 FCBDMN CCc1oncc1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953928904 674486654 /nfs/dbraw/zinc/48/66/54/674486654.db2.gz ODSJCCYGWFOEPC-DGCLKSJQSA-N 0 1 350.375 0.965 20 5 FCBDMN CN(C(=O)c1cnn(C)c1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954062762 674489645 /nfs/dbraw/zinc/48/96/45/674489645.db2.gz FDMFCHJLJMBPBA-ZYHUDNBSSA-N 0 1 369.809 0.802 20 5 FCBDMN CN(C(=O)C1(C)CCOCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954086383 674489969 /nfs/dbraw/zinc/48/99/69/674489969.db2.gz OSBBRQCUOOOGRS-ZIAGYGMSSA-N 0 1 353.419 0.918 20 5 FCBDMN C[C@@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451119 601814199 /nfs/dbraw/zinc/81/41/99/601814199.db2.gz SHIZYYFAIQMISG-MFKMUULPSA-N 0 1 362.342 0.973 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2csc(C3CC3)n2)C1 ZINC000954243500 674492967 /nfs/dbraw/zinc/49/29/67/674492967.db2.gz PCTULCUFLWLSCP-CHWSQXEVSA-N 0 1 364.427 0.897 20 5 FCBDMN COc1ccc(F)cc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954877214 674506280 /nfs/dbraw/zinc/50/62/80/674506280.db2.gz INVIOXDXWPRILF-DGCLKSJQSA-N 0 1 351.334 0.782 20 5 FCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccncc2F)CC1 ZINC000956369306 674522026 /nfs/dbraw/zinc/52/20/26/674522026.db2.gz QWJNKYJUFSUJDL-DGCLKSJQSA-N 0 1 350.350 0.997 20 5 FCBDMN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824436222 607641532 /nfs/dbraw/zinc/64/15/32/607641532.db2.gz QPVUBPSJXSVGPW-YUMQZZPRSA-N 0 1 356.364 0.070 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]32)c1-c1nn[nH]n1 ZINC000826499979 607674703 /nfs/dbraw/zinc/67/47/03/607674703.db2.gz HDTMQNRBBZGCKD-DTWKUNHWSA-N 0 1 350.360 0.948 20 5 FCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000833621921 605160558 /nfs/dbraw/zinc/16/05/58/605160558.db2.gz OVRJAAWDQNAKFP-LLVKDONJSA-N 0 1 353.379 0.534 20 5 FCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000833628167 605392500 /nfs/dbraw/zinc/39/25/00/605392500.db2.gz CJVNFAXXIVJANI-KGLIPLIRSA-N 0 1 367.402 0.815 20 5 FCBDMN Cc1nc([C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CCO2)n[nH]1 ZINC000822419703 606717092 /nfs/dbraw/zinc/71/70/92/606717092.db2.gz SMETVQYXUSOUDL-SECBINFHSA-N 0 1 358.322 0.174 20 5 FCBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000820766863 606730288 /nfs/dbraw/zinc/73/02/88/606730288.db2.gz DIESDIYSZJQRKI-QMMMGPOBSA-N 0 1 354.348 0.184 20 5 FCBDMN CN([C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821592867 606734820 /nfs/dbraw/zinc/73/48/20/606734820.db2.gz ZGMMNURYWLAKPR-QMMMGPOBSA-N 0 1 354.348 0.184 20 5 FCBDMN COC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821684454 606735106 /nfs/dbraw/zinc/73/51/06/606735106.db2.gz AHCBGAFYWDMRPT-SECBINFHSA-N 0 1 368.375 0.432 20 5 FCBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820120618 607210014 /nfs/dbraw/zinc/21/00/14/607210014.db2.gz GHPGGTOVBQZGGX-UHFFFAOYSA-N 0 1 371.361 0.804 20 5 FCBDMN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825019578 608111623 /nfs/dbraw/zinc/11/16/23/608111623.db2.gz FLWKNCJFSZFWMR-JGVFFNPUSA-N 0 1 354.348 0.231 20 5 FCBDMN Cc1nc(CN2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000826325865 608541823 /nfs/dbraw/zinc/54/18/23/608541823.db2.gz OSAMTNAILCGJAS-UHFFFAOYSA-N 0 1 370.377 0.524 20 5 FCBDMN O=C(N[C@H]1C[C@@H](NCc2nnc(C(F)(F)F)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063900 663398715 /nfs/dbraw/zinc/39/87/15/663398715.db2.gz NZQHPNSZRMDRIA-ULAWRXDQSA-N 0 1 365.337 0.959 20 5 FCBDMN Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C(F)F ZINC000973254289 664084103 /nfs/dbraw/zinc/08/41/03/664084103.db2.gz JOJAVJFJZMIXMD-TURQNECASA-N 0 1 357.317 0.629 20 5 FCBDMN CCn1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC000973255362 664084421 /nfs/dbraw/zinc/08/44/21/664084421.db2.gz DBUZRICZJIAXOR-GWOFURMSSA-N 0 1 369.809 0.907 20 5 FCBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1nc2c(s1)CCC2 ZINC000973256987 664085459 /nfs/dbraw/zinc/08/54/59/664085459.db2.gz ZETMSGOSVNLKOL-TURQNECASA-N 0 1 350.400 0.674 20 5 FCBDMN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cc2c(s1)CCOC2 ZINC000974115426 664222941 /nfs/dbraw/zinc/22/29/41/664222941.db2.gz PYQZVKKWEBNJDE-WRWGMCAJSA-N 0 1 365.411 0.863 20 5 FCBDMN CCCc1nc(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000974115455 664222955 /nfs/dbraw/zinc/22/29/55/664222955.db2.gz SEOHKDDXDOQGAC-WRWGMCAJSA-N 0 1 350.375 0.978 20 5 FCBDMN Cc1nc(C)c(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000974115027 664222998 /nfs/dbraw/zinc/22/29/98/664222998.db2.gz OQPGQFVDIOOGBR-WRWGMCAJSA-N 0 1 352.416 0.731 20 5 FCBDMN CCc1nc(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000974116785 664223525 /nfs/dbraw/zinc/22/35/25/664223525.db2.gz WKXHTZNKCZDPPY-RBLKWDMZSA-N 0 1 352.416 0.677 20 5 FCBDMN CCc1[nH]nc(Cl)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976493978 664385969 /nfs/dbraw/zinc/38/59/69/664385969.db2.gz PFBNRUKNNUTPGT-RCYRUSIOSA-N 0 1 367.793 0.477 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1nc(Cl)cs1 ZINC000977038574 664411388 /nfs/dbraw/zinc/41/13/88/664411388.db2.gz LUCQBQCLRVDLGE-GBMPTNJUSA-N 0 1 356.791 0.648 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1cnn(C(F)F)c1 ZINC000977078899 664412482 /nfs/dbraw/zinc/41/24/82/664412482.db2.gz IXZYEILKKGHDFG-NZFPMDFQSA-N 0 1 355.301 0.130 20 5 FCBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnn(C(F)F)c1 ZINC000978794714 664445221 /nfs/dbraw/zinc/44/52/21/664445221.db2.gz JHEILGYQLFHMBH-APHKKCJPSA-N 0 1 357.317 0.568 20 5 FCBDMN O=C(Cc1ncccc1F)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978800413 664445707 /nfs/dbraw/zinc/44/57/07/664445707.db2.gz QZTNLAWNVDMBCB-FBKDDSFISA-N 0 1 350.350 0.439 20 5 FCBDMN CCOc1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000978795492 664445983 /nfs/dbraw/zinc/44/59/83/664445983.db2.gz OGFGQZBOKXTTGI-DTHBNOIPSA-N 0 1 352.347 0.363 20 5 FCBDMN CCc1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000978796182 664446186 /nfs/dbraw/zinc/44/61/86/664446186.db2.gz QGXGXQVIIHNINV-LMLFDSFASA-N 0 1 352.416 0.995 20 5 FCBDMN Cc1c(Cl)c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC000978826174 664446440 /nfs/dbraw/zinc/44/64/40/664446440.db2.gz RKPMQPLMJYYMPP-LMLFDSFASA-N 0 1 369.809 0.672 20 5 FCBDMN Cn1cc(Cl)cc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979024116 664452730 /nfs/dbraw/zinc/45/27/30/664452730.db2.gz CWKDDKLCPDROND-SASUGWTJSA-N 0 1 354.794 0.968 20 5 FCBDMN COCc1ncsc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979744429 664461976 /nfs/dbraw/zinc/46/19/76/664461976.db2.gz CQZVZRVSQGBNDL-DNRKLUKYSA-N 0 1 368.415 0.579 20 5 FCBDMN COCc1nc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000979748953 664462281 /nfs/dbraw/zinc/46/22/81/664462281.db2.gz OKWMFQVSBKOJID-DNRKLUKYSA-N 0 1 368.415 0.579 20 5 FCBDMN Cc1c(Cl)c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC000979760810 664462372 /nfs/dbraw/zinc/46/23/72/664462372.db2.gz RKPMQPLMJYYMPP-GWOFURMSSA-N 0 1 369.809 0.672 20 5 FCBDMN Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979758985 664462980 /nfs/dbraw/zinc/46/29/80/664462980.db2.gz YGOUECMZOVQBOW-ZYUZMQFOSA-N 0 1 355.782 0.661 20 5 FCBDMN CCc1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000979965127 664466400 /nfs/dbraw/zinc/46/64/00/664466400.db2.gz YZSQQSNWPBRHSO-GWOFURMSSA-N 0 1 352.416 0.995 20 5 FCBDMN Cn1c(Cl)ncc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980044875 664469274 /nfs/dbraw/zinc/46/92/74/664469274.db2.gz QUAKKGVXVMETEV-ZYUZMQFOSA-N 0 1 355.782 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LMUYQWOPLWCIBA-HUUCEWRRSA-N 0 1 365.434 0.797 20 5 FCBDMN CN(CCN1CCN(c2ccccc2)CC1)c1nnc(C[N+](=O)[O-])n1C ZINC001338205792 1260585665 /nfs/dbraw/zinc/58/56/65/1260585665.db2.gz NBXMCCLSENBTMJ-UHFFFAOYSA-N 0 1 359.434 0.850 20 5 FCBDMN COCCN1CC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001340387834 1268531029 /nfs/dbraw/zinc/53/10/29/1268531029.db2.gz QZURFESECNKQEP-ZDUSSCGKSA-N 0 1 350.375 0.048 20 5 FCBDMN NS(=O)(=O)c1cccc(N2CC[C@@H](Cc3c[nH]nn3)C2)c1[N+](=O)[O-] ZINC001577740158 1274817936 /nfs/dbraw/zinc/81/79/36/1274817936.db2.gz JRLHCZLXURBPKC-VIFPVBQESA-N 0 1 352.376 0.429 20 5 FCBDMN Nc1ncc(C(=O)N(CCc2c[nH]nn2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001577742653 1274820039 /nfs/dbraw/zinc/82/00/39/1274820039.db2.gz FZYWEPYJTGRVDI-UHFFFAOYSA-N 0 1 359.268 0.937 20 5 FCBDMN Nc1ncc(C(=O)N(CCc2cnn[nH]2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001577742653 1274820043 /nfs/dbraw/zinc/82/00/43/1274820043.db2.gz FZYWEPYJTGRVDI-UHFFFAOYSA-N 0 1 359.268 0.937 20 5 FCBDMN O=C(N[C@H](CO)c1c[nH]nn1)c1c(Br)cccc1[N+](=O)[O-] ZINC001577975636 1275203972 /nfs/dbraw/zinc/20/39/72/1275203972.db2.gz UDLLJBPMGRYRFO-MRVPVSSYSA-N 0 1 356.136 0.939 20 5 FCBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579207263 1276996520 /nfs/dbraw/zinc/99/65/20/1276996520.db2.gz ZYYDYMCGTYUWGM-UHFFFAOYSA-N 0 1 370.373 0.965 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)Nc1ccc(F)c(F)c1 ZINC001582191602 1281168374 /nfs/dbraw/zinc/16/83/74/1281168374.db2.gz CAWYNGPRTOUCOI-UHFFFAOYSA-N 0 1 350.245 0.888 20 5 FCBDMN C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CO1 ZINC001590207633 1283329834 /nfs/dbraw/zinc/32/98/34/1283329834.db2.gz SUARLTAXBWVKHG-YUMQZZPRSA-N 0 1 354.348 0.231 20 5 FCBDMN CCN(CCOC)c1cccc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)n1 ZINC001590715864 1283750723 /nfs/dbraw/zinc/75/07/23/1283750723.db2.gz VXPHWZVGYUZMNK-UHFFFAOYSA-N 0 1 373.377 0.887 20 5 FCBDMN CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590862397 1283933948 /nfs/dbraw/zinc/93/39/48/1283933948.db2.gz YPAKXUZTBGEVDP-SCZZXKLOSA-N 0 1 368.375 0.621 20 5 FCBDMN CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591038222 1284095988 /nfs/dbraw/zinc/09/59/88/1284095988.db2.gz MMQLGWIKGLHIFP-UHFFFAOYSA-N 0 1 367.391 0.277 20 5 FCBDMN COC(=O)c1ccc(OC)c(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)c1 ZINC001591297404 1284450540 /nfs/dbraw/zinc/45/05/40/1284450540.db2.gz SCRZRTDKDGBGMY-UHFFFAOYSA-N 0 1 359.302 0.815 20 5 FCBDMN C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591775903 1284898884 /nfs/dbraw/zinc/89/88/84/1284898884.db2.gz MQOKBKXWZIHLMQ-WPRPVWTQSA-N 0 1 368.375 0.309 20 5 FCBDMN Cc1c(CNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cccc1[N+](=O)[O-] ZINC001591819538 1284926956 /nfs/dbraw/zinc/92/69/56/1284926956.db2.gz XXHVYXOHJRGJDC-VIFPVBQESA-N 0 1 357.334 0.552 20 5 FCBDMN O=C1NCC2(CCN(Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)O1 ZINC001593405035 1286126473 /nfs/dbraw/zinc/12/64/73/1286126473.db2.gz FXYXMGJXPBIIPM-UHFFFAOYSA-N 0 1 359.346 0.849 20 5 FCBDMN O=[N+]([O-])c1cn(C[C@H]2CN(c3ccccc3)CCO2)nc1-c1nn[nH]n1 ZINC001593486651 1286176240 /nfs/dbraw/zinc/17/62/40/1286176240.db2.gz DXUIBPJZPHPERN-GFCCVEGCSA-N 0 1 356.346 0.877 20 5 FCBDMN COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@H+](C)C1 ZINC001609297239 1289068058 /nfs/dbraw/zinc/06/80/58/1289068058.db2.gz IWJNITODZPRGON-JTQLQIEISA-N 0 1 361.362 0.316 20 5 FCBDMN COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@@H+](C)C1 ZINC001609297239 1289068062 /nfs/dbraw/zinc/06/80/62/1289068062.db2.gz IWJNITODZPRGON-JTQLQIEISA-N 0 1 361.362 0.316 20 5 FCBDMN COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@H+](C)C1 ZINC001609297239 1289068066 /nfs/dbraw/zinc/06/80/66/1289068066.db2.gz IWJNITODZPRGON-JTQLQIEISA-N 0 1 361.362 0.316 20 5 FCBDMN COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@@H+](C)C1 ZINC001609297239 1289068069 /nfs/dbraw/zinc/06/80/69/1289068069.db2.gz IWJNITODZPRGON-JTQLQIEISA-N 0 1 361.362 0.316 20 5 FCBDMN Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600032433 1286432022 /nfs/dbraw/zinc/43/20/22/1286432022.db2.gz URKMXEKIPSMCTR-RYUDHWBXSA-N 0 1 351.359 0.999 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001602567501 1287027478 /nfs/dbraw/zinc/02/74/78/1287027478.db2.gz PLWHFRILPJRMQC-LLVKDONJSA-N 0 1 362.342 0.814 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001602567501 1287027484 /nfs/dbraw/zinc/02/74/84/1287027484.db2.gz PLWHFRILPJRMQC-LLVKDONJSA-N 0 1 362.342 0.814 20 5 FCBDMN CC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001602980968 1287171501 /nfs/dbraw/zinc/17/15/01/1287171501.db2.gz UKAQMJBBYPRWHF-UHFFFAOYSA-N 0 1 356.302 0.813 20 5 FCBDMN CN(C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001605961121 1288113528 /nfs/dbraw/zinc/11/35/28/1288113528.db2.gz VWHQBVBRCXJGBL-CYBMUJFWSA-N 0 1 374.357 0.794 20 5 FCBDMN CN(C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001605961121 1288113533 /nfs/dbraw/zinc/11/35/33/1288113533.db2.gz VWHQBVBRCXJGBL-CYBMUJFWSA-N 0 1 374.357 0.794 20 5 FCBDMN NC(=O)c1ccc(COc2ccc(F)nc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001606429694 1288311475 /nfs/dbraw/zinc/31/14/75/1288311475.db2.gz BHEJNONPYBVPGU-UHFFFAOYSA-N 0 1 359.277 0.987 20 5 FCBDMN Cn1cc[nH+]c1Cn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609481082 1289174704 /nfs/dbraw/zinc/17/47/04/1289174704.db2.gz VHUPITHGJPPIMM-UHFFFAOYSA-N 0 1 352.314 0.872 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3ccncc3C2)c1-c1nn[nH]n1 ZINC001607085346 1288654222 /nfs/dbraw/zinc/65/42/22/1288654222.db2.gz PYKAJYAPLUSGPQ-UHFFFAOYSA-N 0 1 373.354 0.874 20 5 FCBDMN O=c1c(-c2nn[nH]n2)cn(CCC2OCCO2)c2ccc([N+](=O)[O-])cc12 ZINC001607091226 1288658339 /nfs/dbraw/zinc/65/83/39/1288658339.db2.gz BJLQIKAEUMXPFQ-UHFFFAOYSA-N 0 1 358.314 0.853 20 5 FCBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001609072418 1288904636 /nfs/dbraw/zinc/90/46/36/1288904636.db2.gz PCLDPBYZWQGKMS-SSDOTTSWSA-N 0 1 362.281 0.810 20 5 FCBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001609517555 1289191572 /nfs/dbraw/zinc/19/15/72/1289191572.db2.gz CMJVAKUTUCJBGE-UTCJRWHESA-N 0 1 355.318 0.196 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001609579364 1289238180 /nfs/dbraw/zinc/23/81/80/1289238180.db2.gz UUHKTUGXXDMVLD-ZWNOBZJWSA-N 0 1 361.337 0.320 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001609599469 1289257029 /nfs/dbraw/zinc/25/70/29/1289257029.db2.gz FKRGRGPDHQSMOB-LBPRGKRZSA-N 0 1 359.390 0.933 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001609599469 1289257034 /nfs/dbraw/zinc/25/70/34/1289257034.db2.gz FKRGRGPDHQSMOB-LBPRGKRZSA-N 0 1 359.390 0.933 20 5 FCBDMN C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)C[C@H]21 ZINC001610138383 1289392941 /nfs/dbraw/zinc/39/29/41/1289392941.db2.gz IDMNJGPJRWEFPH-TVQRCGJNSA-N 0 1 355.372 0.618 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001610870760 1289614722 /nfs/dbraw/zinc/61/47/22/1289614722.db2.gz HTIBNKCQUGRSFA-SNVBAGLBSA-N 0 1 362.342 0.814 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001610870760 1289614735 /nfs/dbraw/zinc/61/47/35/1289614735.db2.gz HTIBNKCQUGRSFA-SNVBAGLBSA-N 0 1 362.342 0.814 20 5 FCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc(COC)s1 ZINC001688397931 1294488583 /nfs/dbraw/zinc/48/85/83/1294488583.db2.gz QDTVCBSZQWFUIV-NXEZZACHSA-N 0 1 356.404 0.533 20 5 FCBDMN CCCn1cc(C(=O)N(CC)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001688398177 1294488591 /nfs/dbraw/zinc/48/85/91/1294488591.db2.gz ZZJFULYLWSPFMD-TZMCWYRMSA-N 0 1 351.407 0.845 20 5 FCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CN1CCc2ccccc21 ZINC001688397715 1294488947 /nfs/dbraw/zinc/48/89/47/1294488947.db2.gz HTPSRJUDEIFJGR-GDBMZVCRSA-N 0 1 360.414 0.679 20 5 FCBDMN CN(CCN1CCN(C(=O)c2cncs2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688553776 1294507837 /nfs/dbraw/zinc/50/78/37/1294507837.db2.gz AOWYLGYCLSQLFH-VXGBXAGGSA-N 0 1 367.431 0.025 20 5 FCBDMN Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)c(=O)[nH]1 ZINC001688799526 1294533337 /nfs/dbraw/zinc/53/33/37/1294533337.db2.gz HDTCQIBPLJXFHC-CHWSQXEVSA-N 0 1 362.386 0.920 20 5 FCBDMN CCn1nncc1C(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688827234 1294539285 /nfs/dbraw/zinc/53/92/85/1294539285.db2.gz QDJIWENMVYNHOM-CHWSQXEVSA-N 0 1 364.406 0.322 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCNC(=O)C(C)(C)C ZINC001689079747 1294598293 /nfs/dbraw/zinc/59/82/93/1294598293.db2.gz XWRGCGJWLWZBEM-VXGBXAGGSA-N 0 1 356.423 0.121 20 5 FCBDMN CCn1ncc(Cl)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] 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COc1nc(C)ncc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062991117 1254290746 /nfs/dbraw/zinc/29/07/46/1254290746.db2.gz YMILLSMPFYBZTA-ZYHUDNBSSA-N 0 1 363.374 0.228 20 5 FCBDMN O=C(Nc1ccccc1)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062991142 1254292090 /nfs/dbraw/zinc/29/20/90/1254292090.db2.gz ZQMMCIWKRYQVKJ-CHWSQXEVSA-N 0 1 360.370 0.445 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ncc2ccccn21 ZINC001063624677 1254366150 /nfs/dbraw/zinc/36/61/50/1254366150.db2.gz PYHSASPCSAKKDR-CHWSQXEVSA-N 0 1 357.370 0.768 20 5 FCBDMN CCc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c(C)nn1 ZINC001063703466 1254383020 /nfs/dbraw/zinc/38/30/20/1254383020.db2.gz OKGFTQLKIQTXKO-ZIAGYGMSSA-N 0 1 361.402 0.781 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1occ2c1CCOC2 ZINC001063750596 1254384557 /nfs/dbraw/zinc/38/45/57/1254384557.db2.gz GQHDYDIHFFWCBD-CHWSQXEVSA-N 0 1 363.370 0.786 20 5 FCBDMN Cc1nn(C)cc1CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064632313 1254453820 /nfs/dbraw/zinc/45/38/20/1254453820.db2.gz HLQZNLFWWBECCO-ZIAGYGMSSA-N 0 1 363.418 0.481 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CNC(=O)C2CCCC2)C1 ZINC001079746967 1255592068 /nfs/dbraw/zinc/59/20/68/1255592068.db2.gz OURJBBDTURWDFM-ZIAGYGMSSA-N 0 1 366.418 0.017 20 5 FCBDMN CCN(C(=O)CCc1c(C)noc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079757353 1255594724 /nfs/dbraw/zinc/59/47/24/1255594724.db2.gz APNAMBXIRGSKQW-HUUCEWRRSA-N 0 1 364.402 0.949 20 5 FCBDMN Cc1noc(C)c1C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080855402 1256055580 /nfs/dbraw/zinc/05/55/80/1256055580.db2.gz KAMGBDYECKGXLM-VXGBXAGGSA-N 0 1 366.374 0.040 20 5 FCBDMN Cc1ccc(CC(=O)N2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001080856353 1256055919 /nfs/dbraw/zinc/05/59/19/1256055919.db2.gz AXRFLIBRZDNTTP-ZIAGYGMSSA-N 0 1 365.386 0.265 20 5 FCBDMN CCc1ccc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001080856818 1256057760 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ZQWDWDCTXUTFHQ-CJNGLKHVSA-N 0 1 364.450 0.940 20 5 FCBDMN Cn1c(=O)oc2ccc(CN3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cc21 ZINC001313444580 1263319258 /nfs/dbraw/zinc/31/92/58/1263319258.db2.gz FMMKYZBRGCVGEK-CHWSQXEVSA-N 0 1 360.370 0.441 20 5 FCBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001321376331 1263948322 /nfs/dbraw/zinc/94/83/22/1263948322.db2.gz QWVQCALKAURVLO-CYBMUJFWSA-N 0 1 364.402 0.468 20 5 FCBDMN Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001344870016 1270264391 /nfs/dbraw/zinc/26/43/91/1270264391.db2.gz SXWRPQMZANGHHG-LLVKDONJSA-N 0 1 362.394 0.414 20 5 FCBDMN CC(C)C(=O)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001575324197 1271931384 /nfs/dbraw/zinc/93/13/84/1271931384.db2.gz WMZANZKVGPXJDW-ZIAGYGMSSA-N 0 1 364.406 0.446 20 5 FCBDMN CN(CCCNC(=O)c1cncc(-c2c[nH]nn2)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001576808585 1273720028 /nfs/dbraw/zinc/72/00/28/1273720028.db2.gz KYHJDIRYQYSYPR-TZMCWYRMSA-N 0 1 373.373 0.110 20 5 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ZINC001578031559 1275307553 /nfs/dbraw/zinc/30/75/53/1275307553.db2.gz VJCVXEKHNCHZON-UHFFFAOYSA-N 0 1 361.314 0.218 20 5 FCBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001588770199 1282699379 /nfs/dbraw/zinc/69/93/79/1282699379.db2.gz JCCHUVFCBZMTRR-NTMALXAHSA-N 0 1 369.345 0.586 20 5 FCBDMN CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589465883 1282887400 /nfs/dbraw/zinc/88/74/00/1282887400.db2.gz AHSPHFLURDPQNW-MRVPVSSYSA-N 0 1 355.380 0.037 20 5 FCBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1(CO)CC1 ZINC001589975982 1283152707 /nfs/dbraw/zinc/15/27/07/1283152707.db2.gz GQUXESNGTNCICN-MRVPVSSYSA-N 0 1 368.375 0.214 20 5 FCBDMN C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590196052 1283304894 /nfs/dbraw/zinc/30/48/94/1283304894.db2.gz GHQSIYZDJQCLTB-IUCAKERBSA-N 0 1 367.391 0.275 20 5 FCBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)O1 ZINC001590206002 1283326611 /nfs/dbraw/zinc/32/66/11/1283326611.db2.gz GNWLDQCQDRPARB-HLTSFMKQSA-N 0 1 368.375 0.619 20 5 FCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CO1 ZINC001590207625 1283327886 /nfs/dbraw/zinc/32/78/86/1283327886.db2.gz SUARLTAXBWVKHG-HTQZYQBOSA-N 0 1 354.348 0.231 20 5 FCBDMN CCOc1ccc(NC(=O)Cn2cnnc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590837818 1283913949 /nfs/dbraw/zinc/91/39/49/1283913949.db2.gz BOKJHRDFITTXLH-UHFFFAOYSA-N 0 1 359.306 0.404 20 5 FCBDMN C[N@H+](CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CCOCCO ZINC001591106116 1284179328 /nfs/dbraw/zinc/17/93/28/1284179328.db2.gz SKUMVJSSXJNJQJ-UHFFFAOYSA-N 0 1 351.367 0.128 20 5 FCBDMN C[N@@H+](CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CCOCCO ZINC001591106116 1284179333 /nfs/dbraw/zinc/17/93/33/1284179333.db2.gz SKUMVJSSXJNJQJ-UHFFFAOYSA-N 0 1 351.367 0.128 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001591216264 1284352485 /nfs/dbraw/zinc/35/24/85/1284352485.db2.gz JXNBRZBIHACKKB-UHFFFAOYSA-N 0 1 371.361 0.902 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC001591216264 1284352490 /nfs/dbraw/zinc/35/24/90/1284352490.db2.gz JXNBRZBIHACKKB-UHFFFAOYSA-N 0 1 371.361 0.902 20 5 FCBDMN C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001591727828 1284859350 /nfs/dbraw/zinc/85/93/50/1284859350.db2.gz OMJKYQIJHGHFDN-SECBINFHSA-N 0 1 372.349 0.427 20 5 FCBDMN Cc1cc(F)cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1[N+](=O)[O-] ZINC001591989996 1285045749 /nfs/dbraw/zinc/04/57/49/1285045749.db2.gz MUNHKTLBQXWDNU-UHFFFAOYSA-N 0 1 361.297 0.244 20 5 FCBDMN Cn1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc([N+](=O)[O-])ccc32)n1 ZINC001592580520 1285500299 /nfs/dbraw/zinc/50/02/99/1285500299.db2.gz NNRFROJUNRGPSF-UHFFFAOYSA-N 0 1 352.314 0.872 20 5 FCBDMN CCc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001609252420 1289020775 /nfs/dbraw/zinc/02/07/75/1289020775.db2.gz WQFGSQHHTLEHMK-UHFFFAOYSA-N 0 1 357.334 0.359 20 5 FCBDMN O=C(O[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001593281568 1286063366 /nfs/dbraw/zinc/06/33/66/1286063366.db2.gz QTTILNINYZNPIZ-JHJVBQTASA-N 0 1 372.341 0.571 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)c1-c1nn[nH]n1 ZINC001593483700 1286174726 /nfs/dbraw/zinc/17/47/26/1286174726.db2.gz CYNBOXHLLWXBII-WCBMZHEXSA-N 0 1 350.360 0.948 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593487744 1286175646 /nfs/dbraw/zinc/17/56/46/1286175646.db2.gz KNQDZCQDQAVNPI-JTQLQIEISA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593487744 1286175651 /nfs/dbraw/zinc/17/56/51/1286175651.db2.gz KNQDZCQDQAVNPI-JTQLQIEISA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001593487744 1286175655 /nfs/dbraw/zinc/17/56/55/1286175655.db2.gz KNQDZCQDQAVNPI-JTQLQIEISA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001593487744 1286175656 /nfs/dbraw/zinc/17/56/56/1286175656.db2.gz KNQDZCQDQAVNPI-JTQLQIEISA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1cn(CCS(=O)(=O)c2ccc(F)cc2)nc1-c1nn[nH]n1 ZINC001593487071 1286175921 /nfs/dbraw/zinc/17/59/21/1286175921.db2.gz RUNUZMNCCHFVSY-UHFFFAOYSA-N 0 1 367.322 0.584 20 5 FCBDMN Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600030277 1286432194 /nfs/dbraw/zinc/43/21/94/1286432194.db2.gz BZCYPLXDVZXSCB-SRVKXCTJSA-N 0 1 351.359 0.998 20 5 FCBDMN Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600030277 1286432201 /nfs/dbraw/zinc/43/22/01/1286432201.db2.gz BZCYPLXDVZXSCB-SRVKXCTJSA-N 0 1 351.359 0.998 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600304623 1286475086 /nfs/dbraw/zinc/47/50/86/1286475086.db2.gz BNOHUDQQOQLOIF-ZDUSSCGKSA-N 0 1 364.358 0.507 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001600304623 1286475089 /nfs/dbraw/zinc/47/50/89/1286475089.db2.gz BNOHUDQQOQLOIF-ZDUSSCGKSA-N 0 1 364.358 0.507 20 5 FCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600551772 1286506736 /nfs/dbraw/zinc/50/67/36/1286506736.db2.gz CSVGURFVVVBBQU-LLVKDONJSA-N 0 1 357.388 0.540 20 5 FCBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600551772 1286506738 /nfs/dbraw/zinc/50/67/38/1286506738.db2.gz CSVGURFVVVBBQU-LLVKDONJSA-N 0 1 357.388 0.540 20 5 FCBDMN COCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609317012 1289087128 /nfs/dbraw/zinc/08/71/28/1289087128.db2.gz WJFURTZYJPWSJK-UHFFFAOYSA-N 0 1 362.394 0.717 20 5 FCBDMN O=C([O-])c1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC001602246576 1286974988 /nfs/dbraw/zinc/97/49/88/1286974988.db2.gz HSMWYFYBYHBOQG-ZDUSSCGKSA-N 0 1 351.359 0.870 20 5 FCBDMN C[N@@H+]1CCN(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC001604866232 1287804346 /nfs/dbraw/zinc/80/43/46/1287804346.db2.gz IQENVYPSOQOSOU-UHFFFAOYSA-N 0 1 361.410 0.608 20 5 FCBDMN C[N@H+]1CCN(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1(C)C ZINC001604866232 1287804348 /nfs/dbraw/zinc/80/43/48/1287804348.db2.gz IQENVYPSOQOSOU-UHFFFAOYSA-N 0 1 361.410 0.608 20 5 FCBDMN C[N@H+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001606245267 1288231349 /nfs/dbraw/zinc/23/13/49/1288231349.db2.gz AFJWFGSAUUXYJZ-LBPRGKRZSA-N 0 1 362.386 0.940 20 5 FCBDMN CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606771183 1288505363 /nfs/dbraw/zinc/50/53/63/1288505363.db2.gz LQURXSFGMPRYAU-BFQNTYOBSA-N 0 1 354.359 0.899 20 5 FCBDMN O=C1NCCN1[C@H]1CCCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001607053324 1288622794 /nfs/dbraw/zinc/62/27/94/1288622794.db2.gz PHLZKCGXSKSTEI-NSHDSACASA-N 0 1 372.389 0.765 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2(O)CCC2)c1-c1nn[nH]n1 ZINC001607085535 1288653420 /nfs/dbraw/zinc/65/34/20/1288653420.db2.gz UVYSRIVUTLQILI-UHFFFAOYSA-N 0 1 368.375 0.358 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1-c1nn[n-]n1 ZINC001607085184 1288653954 /nfs/dbraw/zinc/65/39/54/1288653954.db2.gz LXOIGYMYCLYALG-VIFPVBQESA-N 0 1 367.391 0.053 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001607191645 1288681870 /nfs/dbraw/zinc/68/18/70/1288681870.db2.gz ORFVUSLVTUNUDR-SWLSCSKDSA-N 0 1 367.358 0.842 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001607191953 1288681917 /nfs/dbraw/zinc/68/19/17/1288681917.db2.gz SSRTWTIEKLHYOQ-ZYHUDNBSSA-N 0 1 353.331 0.452 20 5 FCBDMN CC(C)(CC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609083538 1288909432 /nfs/dbraw/zinc/90/94/32/1288909432.db2.gz IDTQNXCNSNLOGL-UHFFFAOYSA-N 0 1 355.380 0.181 20 5 FCBDMN CCOCC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609239469 1289011812 /nfs/dbraw/zinc/01/18/12/1289011812.db2.gz LEFXHZKMZHPPNN-UHFFFAOYSA-N 0 1 358.314 0.695 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001609599468 1289256920 /nfs/dbraw/zinc/25/69/20/1289256920.db2.gz FKRGRGPDHQSMOB-GFCCVEGCSA-N 0 1 359.390 0.933 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001609599468 1289256926 /nfs/dbraw/zinc/25/69/26/1289256926.db2.gz FKRGRGPDHQSMOB-GFCCVEGCSA-N 0 1 359.390 0.933 20 5 FCBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001609735158 1289287566 /nfs/dbraw/zinc/28/75/66/1289287566.db2.gz LAAHTMHFYWTYBO-LBPRGKRZSA-N 0 1 371.415 0.905 20 5 FCBDMN C[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)CC(=O)[O-] ZINC001610117715 1289380075 /nfs/dbraw/zinc/38/00/75/1289380075.db2.gz ZPNNRWSOUFHPNP-UHFFFAOYSA-N 0 1 362.342 0.654 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nncn1-c1ccccc1 ZINC001699003068 1289543095 /nfs/dbraw/zinc/54/30/95/1289543095.db2.gz VICCBZFIBDAFLI-HUUCEWRRSA-N 0 1 358.402 0.823 20 5 FCBDMN O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC001610838966 1289604281 /nfs/dbraw/zinc/60/42/81/1289604281.db2.gz ONXWTTFYHOIPOL-LLVKDONJSA-N 0 1 367.383 0.928 20 5 FCBDMN O=C(NC1(CO)CCN(Cc2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001755177393 1290641780 /nfs/dbraw/zinc/64/17/80/1290641780.db2.gz OKLCELVRYWQCED-ZIAGYGMSSA-N 0 1 352.366 0.329 20 5 FCBDMN COCCN(CCNC(=O)c1sccc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001756723336 1290661776 /nfs/dbraw/zinc/66/17/76/1290661776.db2.gz QQAAUMLCLQGTFP-VXGBXAGGSA-N 0 1 355.416 0.927 20 5 FCBDMN Cc1cc(C(=O)NCCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)[nH]n1 ZINC001688226788 1293056122 /nfs/dbraw/zinc/05/61/22/1293056122.db2.gz DSKYWPBKNREHEG-GDBMZVCRSA-N 0 1 371.397 0.972 20 5 FCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cnccc1OC ZINC001688397848 1294488707 /nfs/dbraw/zinc/48/87/07/1294488707.db2.gz NADUIGLUBMQANP-CHWSQXEVSA-N 0 1 350.375 0.263 20 5 FCBDMN CCOc1cc(C(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)on1 ZINC001688494080 1294500665 /nfs/dbraw/zinc/50/06/65/1294500665.db2.gz VAUBHQAYCJNUCE-GHMZBOCLSA-N 0 1 352.347 0.459 20 5 FCBDMN O=C(NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=COCCO1 ZINC001688827530 1294539482 /nfs/dbraw/zinc/53/94/82/1294539482.db2.gz BYQNPOLHGXWDLO-CHWSQXEVSA-N 0 1 353.375 0.285 20 5 FCBDMN Cc1nnc(CC(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001688827886 1294539864 /nfs/dbraw/zinc/53/98/64/1294539864.db2.gz PCLKNUMVIDCWKO-CHWSQXEVSA-N 0 1 364.406 0.066 20 5 FCBDMN Cc1nc(CC(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC001688827886 1294539874 /nfs/dbraw/zinc/53/98/74/1294539874.db2.gz PCLKNUMVIDCWKO-CHWSQXEVSA-N 0 1 364.406 0.066 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cnn2ccccc12 ZINC001689079361 1294598141 /nfs/dbraw/zinc/59/81/41/1294598141.db2.gz OMGGLJJDROOEIG-UKRRQHHQSA-N 0 1 359.386 0.459 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cn(C)nc1Cl ZINC001689079545 1294598558 /nfs/dbraw/zinc/59/85/58/1294598558.db2.gz UJZFEHDXEUYTRF-GHMZBOCLSA-N 0 1 357.798 0.198 20 5 FCBDMN Cc1nn2cccnc2c1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001689080235 1294599342 /nfs/dbraw/zinc/59/93/42/1294599342.db2.gz FVWQIPRFQNHGHW-VXGBXAGGSA-N 0 1 360.374 0.233 20 5 FCBDMN COc1ccc(F)cc1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689582976 1294796923 /nfs/dbraw/zinc/79/69/23/1294796923.db2.gz QVSNFMKZTAOYLT-CHWSQXEVSA-N 0 1 365.361 0.807 20 5 FCBDMN O=[N+]([O-])c1cc[n+]([O-])c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164738623 720613820 /nfs/dbraw/zinc/61/38/20/720613820.db2.gz CBYLUTBBEIHFIV-UONOGXRCSA-N 0 1 358.358 0.360 20 5 FCBDMN COc1ncnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164737830 720696964 /nfs/dbraw/zinc/69/69/64/720696964.db2.gz HFWGBYXBWWZHEF-VXGBXAGGSA-N 0 1 373.373 0.525 20 5 FCBDMN 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/nfs/dbraw/zinc/61/60/28/837616028.db2.gz OZKPDGUUMAVPTC-ZYHUDNBSSA-N 0 1 352.347 0.043 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1)C1=COCCC1 ZINC001070113396 837619199 /nfs/dbraw/zinc/61/91/99/837619199.db2.gz VNOZXEQRYYBBFE-CHWSQXEVSA-N 0 1 353.375 0.128 20 5 FCBDMN CC(C)OCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113245 837619308 /nfs/dbraw/zinc/61/93/08/837619308.db2.gz OAZLDECHVSSRER-CHWSQXEVSA-N 0 1 357.407 0.248 20 5 FCBDMN O=C(NC1(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001070114132 837619600 /nfs/dbraw/zinc/61/96/00/837619600.db2.gz CGLVJSMIFUXHMZ-MBJXGIAVSA-N 0 1 351.403 0.479 20 5 FCBDMN Cc1cnoc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114470 837619655 /nfs/dbraw/zinc/61/96/55/837619655.db2.gz RKNRSWZODIYOBP-GHMZBOCLSA-N 0 1 352.347 0.043 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1)c1ccc(Cl)[nH]1 ZINC001070114298 837619720 /nfs/dbraw/zinc/61/97/20/837619720.db2.gz JINLUERKCAEYNP-MWLCHTKSSA-N 0 1 370.793 0.729 20 5 FCBDMN Cc1nc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)co1 ZINC001070114363 837619764 /nfs/dbraw/zinc/61/97/64/837619764.db2.gz MJQBPHKMUGWVGE-ZYHUDNBSSA-N 0 1 352.347 0.043 20 5 FCBDMN O=C(Cc1cncs1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070146176 837624691 /nfs/dbraw/zinc/62/46/91/837624691.db2.gz JXXMNXDDXOJFBS-VXGBXAGGSA-N 0 1 368.415 0.132 20 5 FCBDMN Cc1cnoc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070238007 837637173 /nfs/dbraw/zinc/63/71/73/837637173.db2.gz XYVVWRRRQUSVQX-GHMZBOCLSA-N 0 1 352.347 0.043 20 5 FCBDMN O=C(NCC1(NC(=O)C2CC3(CC3)C2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001070247982 837638151 /nfs/dbraw/zinc/63/81/51/837638151.db2.gz KWDZXMPDELTTNM-CHWSQXEVSA-N 0 1 351.403 0.623 20 5 FCBDMN CN(C)c1nc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)ns1 ZINC001072721543 837743101 /nfs/dbraw/zinc/74/31/01/837743101.db2.gz WQXSGJZGGCZVIK-GHMZBOCLSA-N 0 1 366.447 0.304 20 5 FCBDMN CCCC(=O)NCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 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HMFWBNKSFSYFCS-CHWSQXEVSA-N 0 1 367.427 0.841 20 5 FCBDMN Cn1c(Cl)ncc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989183 836746880 /nfs/dbraw/zinc/74/68/80/836746880.db2.gz RUNOSRAFKQDWKZ-RKDXNWHRSA-N 0 1 355.782 0.507 20 5 FCBDMN Cc1nn(C)c(F)c1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062991100 836746922 /nfs/dbraw/zinc/74/69/22/836746922.db2.gz XMFYCGABTUNEFF-NXEZZACHSA-N 0 1 353.354 0.302 20 5 FCBDMN CCn1nnc(C)c1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063294321 836761043 /nfs/dbraw/zinc/76/10/43/836761043.db2.gz YLVSHVMSBCJUEX-GHMZBOCLSA-N 0 1 350.379 0.040 20 5 FCBDMN CNC(=O)CCCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063420697 836766792 /nfs/dbraw/zinc/76/67/92/836766792.db2.gz KIWALRJOXRZNGF-VXGBXAGGSA-N 0 1 354.407 0.113 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COCC2CCCC2)C1 ZINC001079746755 839584302 /nfs/dbraw/zinc/58/43/02/839584302.db2.gz GUDWBKXEXKCEPQ-HUUCEWRRSA-N 0 1 353.419 0.918 20 5 FCBDMN CC(C)=C(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856841 839810894 /nfs/dbraw/zinc/81/08/94/839810894.db2.gz WUXCMBKHGZKCSL-ZIAGYGMSSA-N 0 1 353.419 0.868 20 5 FCBDMN O=C(NCc1nc(CNCc2nccs2)cc(=O)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001087257074 842326307 /nfs/dbraw/zinc/32/63/07/842326307.db2.gz YMLJIYRODDAWFW-NXEZZACHSA-N 0 1 364.387 0.210 20 5 FCBDMN COC[C@@]1(C(=O)[O-])CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001119007233 847671629 /nfs/dbraw/zinc/67/16/29/847671629.db2.gz DTSIUHKCGCOUKO-OAHLLOKOSA-N 0 1 372.399 0.792 20 5 FCBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001119007233 847671638 /nfs/dbraw/zinc/67/16/38/847671638.db2.gz DTSIUHKCGCOUKO-OAHLLOKOSA-N 0 1 372.399 0.792 20 5 FCBDMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccon2)CC1 ZINC001162264441 850303439 /nfs/dbraw/zinc/30/34/39/850303439.db2.gz MLYABOJAIPJTKU-ZIAGYGMSSA-N 0 1 352.391 0.685 20 5 FCBDMN COc1nc(SC)nc(NCc2nnc3n2CCCNC3)c1[N+](=O)[O-] ZINC001163011911 850341997 /nfs/dbraw/zinc/34/19/97/850341997.db2.gz QELSNRQNKZPMEL-UHFFFAOYSA-N 0 1 366.407 0.812 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)CC1(O)CN(CCF)C1 ZINC001177525162 850852411 /nfs/dbraw/zinc/85/24/11/850852411.db2.gz IVNDBRSMROBFJW-HUUCEWRRSA-N 0 1 351.378 0.697 20 5 FCBDMN CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001226310078 857096328 /nfs/dbraw/zinc/09/63/28/857096328.db2.gz MDAXXKGAOXBGHF-SNVBAGLBSA-N 0 1 355.347 0.972 20 5 FCBDMN CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001226310078 857096340 /nfs/dbraw/zinc/09/63/40/857096340.db2.gz MDAXXKGAOXBGHF-SNVBAGLBSA-N 0 1 355.347 0.972 20 5 FCBDMN CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC001261861244 858689778 /nfs/dbraw/zinc/68/97/78/858689778.db2.gz RVILGPGERAKLOY-JTQLQIEISA-N 0 1 365.371 0.746 20 5 FCBDMN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CCN1C ZINC001303899610 866479848 /nfs/dbraw/zinc/47/98/48/866479848.db2.gz 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ZINC001062990587 1254288455 /nfs/dbraw/zinc/28/84/55/1254288455.db2.gz MOYQDAKDWPUARN-CHWSQXEVSA-N 0 1 362.386 0.059 20 5 FCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ncc2n1CCCC2 ZINC001062989194 1254289196 /nfs/dbraw/zinc/28/91/96/1254289196.db2.gz SIUIRKXXNAPRBD-CHWSQXEVSA-N 0 1 361.402 0.653 20 5 FCBDMN O=C(COCc1ccncc1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062990337 1254289402 /nfs/dbraw/zinc/28/94/02/1254289402.db2.gz HGZYKPXOWDLXOA-ZIAGYGMSSA-N 0 1 362.386 0.419 20 5 FCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1ccn(CC(F)F)n1 ZINC001062992976 1254291789 /nfs/dbraw/zinc/29/17/89/1254291789.db2.gz JFQSETMZJPBZMO-MWLCHTKSSA-N 0 1 371.344 0.582 20 5 FCBDMN CC(C)c1nccn1CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063081766 1254302909 /nfs/dbraw/zinc/30/29/09/1254302909.db2.gz VGPCEGABNBSXHI-CHWSQXEVSA-N 0 1 363.418 0.827 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnn2c1OCCC2 ZINC001063712310 1254382988 /nfs/dbraw/zinc/38/29/88/1254382988.db2.gz 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CCN(C(=O)COCc1ccncc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080349942 1255862206 /nfs/dbraw/zinc/86/22/06/1255862206.db2.gz OSASPNBNHIQZFB-HUUCEWRRSA-N 0 1 362.386 0.323 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)C(C2CC2)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080856502 1256057595 /nfs/dbraw/zinc/05/75/95/1256057595.db2.gz HTHDDNYIAAADKK-ZIAGYGMSSA-N 0 1 365.430 0.558 20 5 FCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CN(C)C(C)=O ZINC001081082368 1256169824 /nfs/dbraw/zinc/16/98/24/1256169824.db2.gz NRRDWUMTIFIAPW-HUUCEWRRSA-N 0 1 368.434 0.217 20 5 FCBDMN CCN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CC(=O)N(C)C ZINC001081083840 1256171413 /nfs/dbraw/zinc/17/14/13/1256171413.db2.gz VQGGSCJJMYFJPW-ZIAGYGMSSA-N 0 1 368.434 0.217 20 5 FCBDMN COc1cc(N2CCC(N3CCO[C@H](C(N)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100304 1259934018 /nfs/dbraw/zinc/93/40/18/1259934018.db2.gz DTAVOHMBPPKMLO-INIZCTEOSA-N 0 1 364.402 0.758 20 5 FCBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(CN2CCOCC2)CC1 ZINC001319998087 1263752002 /nfs/dbraw/zinc/75/20/02/1263752002.db2.gz BCFAIZMBXSWYLL-UHFFFAOYSA-N 0 1 364.402 0.327 20 5 FCBDMN NC(=O)C1CCN(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001320926905 1263882754 /nfs/dbraw/zinc/88/27/54/1263882754.db2.gz QNEUQSDJFMLDLC-UHFFFAOYSA-N 0 1 364.406 0.152 20 5 FCBDMN C[C@@H](NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC001327742688 1265411424 /nfs/dbraw/zinc/41/14/24/1265411424.db2.gz VZCFHXGGOBLETR-IUODEOHRSA-N 0 1 363.418 0.134 20 5 FCBDMN CN(C)c1cc(F)c(C(=O)N2CC(N3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC001334141203 1266848517 /nfs/dbraw/zinc/84/85/17/1266848517.db2.gz VCOWZPIVOLWSNM-UHFFFAOYSA-N 0 1 365.409 0.872 20 5 FCBDMN Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001335229448 1267412721 /nfs/dbraw/zinc/41/27/21/1267412721.db2.gz HUYLAMKQKSHUJD-WCQYABFASA-N 0 1 350.375 0.185 20 5 FCBDMN C[C@H]1CCC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001576103056 1272887677 /nfs/dbraw/zinc/88/76/77/1272887677.db2.gz ZLPACULDMBKBAJ-QMMMGPOBSA-N 0 1 366.359 0.517 20 5 FCBDMN O=C(NCCCCc1cn[nH]n1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001578009323 1275276167 /nfs/dbraw/zinc/27/61/67/1275276167.db2.gz LEIITFHNSXWSKS-UHFFFAOYSA-N 0 1 357.334 0.441 20 5 FCBDMN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC(O)(c2c[nH]nn2)C1 ZINC001578035921 1275314511 /nfs/dbraw/zinc/31/45/11/1275314511.db2.gz DSGNYMSUZLOZLV-UHFFFAOYSA-N 0 1 373.304 0.381 20 5 FCBDMN COCC[C@@H]1CNCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001579010761 1276584307 /nfs/dbraw/zinc/58/43/07/1276584307.db2.gz OPGHXXJAANVYGS-CYBMUJFWSA-N 0 1 351.359 0.623 20 5 FCBDMN COCC[C@H]1CNCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001579010762 1276585555 /nfs/dbraw/zinc/58/55/55/1276585555.db2.gz OPGHXXJAANVYGS-ZDUSSCGKSA-N 0 1 351.359 0.623 20 5 FCBDMN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H]2COCCN2)c1 ZINC001579642588 1277707801 /nfs/dbraw/zinc/70/78/01/1277707801.db2.gz LVWWAHNEEUNBLP-HNNXBMFYSA-N 0 1 359.386 0.866 20 5 FCBDMN C[C@H](CC(C)(C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001603451635 1287375524 /nfs/dbraw/zinc/37/55/24/1287375524.db2.gz RGELCSWALKEFIG-MRVPVSSYSA-N 0 1 370.391 0.603 20 5 FCBDMN C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588963046 1282744646 /nfs/dbraw/zinc/74/46/46/1282744646.db2.gz UFAWACCFIZWIJY-SECBINFHSA-N 0 1 369.345 0.512 20 5 FCBDMN C[C@@H](C(=O)NCC(=O)c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588980265 1282751183 /nfs/dbraw/zinc/75/11/83/1282751183.db2.gz VVGGEZKALCWZFU-VIFPVBQESA-N 0 1 370.329 0.532 20 5 FCBDMN C[C@H](C(=O)NCC(=O)c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588980264 1282751876 /nfs/dbraw/zinc/75/18/76/1282751876.db2.gz VVGGEZKALCWZFU-SECBINFHSA-N 0 1 370.329 0.532 20 5 FCBDMN C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001589002907 1282763368 /nfs/dbraw/zinc/76/33/68/1282763368.db2.gz HEXKDFQNQFHUPE-IUCAKERBSA-N 0 1 357.334 0.805 20 5 FCBDMN C[C@H](C(=O)NCc1ccc(F)cc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001588999232 1282764222 /nfs/dbraw/zinc/76/42/22/1282764222.db2.gz ZQNLWGGBGONDEG-MRVPVSSYSA-N 0 1 360.309 0.988 20 5 FCBDMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001589850697 1283087711 /nfs/dbraw/zinc/08/77/11/1283087711.db2.gz HGPIUBYBZZAGQM-NXEZZACHSA-N 0 1 371.361 0.847 20 5 FCBDMN CN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591098100 1284168118 /nfs/dbraw/zinc/16/81/18/1284168118.db2.gz FBNGHYILXWHLIA-UHFFFAOYSA-N 0 1 370.373 0.965 20 5 FCBDMN COc1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001591611225 1284769669 /nfs/dbraw/zinc/76/96/69/1284769669.db2.gz SPHRPQLUPLNKSN-ZETCQYMHSA-N 0 1 359.306 0.575 20 5 FCBDMN Cc1n[nH]c(C(=O)N2CC(Nc3cccc(-c4nn[nH]n4)c3)C2)c1[N+](=O)[O-] ZINC001591791922 1284905871 /nfs/dbraw/zinc/90/58/71/1284905871.db2.gz ZKNCGQBYKQLRMM-UHFFFAOYSA-N 0 1 369.345 0.743 20 5 FCBDMN Cc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc1[N+](=O)[O-] ZINC001592156759 1285166122 /nfs/dbraw/zinc/16/61/22/1285166122.db2.gz WUMQFGAYBQYGMD-VIFPVBQESA-N 0 1 357.334 0.552 20 5 FCBDMN Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001592593318 1285526571 /nfs/dbraw/zinc/52/65/71/1285526571.db2.gz GLEGGAXWRSYJNM-UHFFFAOYSA-N 0 1 374.365 0.641 20 5 FCBDMN NC(=O)COC1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001592727543 1285639727 /nfs/dbraw/zinc/63/97/27/1285639727.db2.gz JOTPBGKHQKZIBB-UHFFFAOYSA-N 0 1 361.362 0.241 20 5 FCBDMN Nc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759655 1285682242 /nfs/dbraw/zinc/68/22/42/1285682242.db2.gz FTDWOKAFGTXLMR-NSHDSACASA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@@H]2CCC[N@H+]2CCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759655 1285682246 /nfs/dbraw/zinc/68/22/46/1285682246.db2.gz FTDWOKAFGTXLMR-NSHDSACASA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759655 1285682252 /nfs/dbraw/zinc/68/22/52/1285682252.db2.gz FTDWOKAFGTXLMR-NSHDSACASA-N 0 1 362.394 0.616 20 5 FCBDMN Nc1cc(NC[C@@H]2CCC[N@H+]2CCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759655 1285682260 /nfs/dbraw/zinc/68/22/60/1285682260.db2.gz FTDWOKAFGTXLMR-NSHDSACASA-N 0 1 362.394 0.616 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NCCCc1ccccc1 ZINC001592937434 1285825712 /nfs/dbraw/zinc/82/57/12/1285825712.db2.gz APLYEHKHKKFVBO-UHFFFAOYSA-N 0 1 356.346 0.720 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC(c2[nH]nc3c2COCC3)C1 ZINC001593466518 1286170628 /nfs/dbraw/zinc/17/06/28/1286170628.db2.gz RFXZMYQMRLRMAW-UHFFFAOYSA-N 0 1 369.345 0.570 20 5 FCBDMN O=[N+]([O-])c1cn(CCCS(=O)(=O)c2ccccc2)nc1-c1nn[nH]n1 ZINC001593486683 1286175632 /nfs/dbraw/zinc/17/56/32/1286175632.db2.gz HDETXGXIMAQORD-UHFFFAOYSA-N 0 1 363.359 0.835 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593487745 1286176035 /nfs/dbraw/zinc/17/60/35/1286176035.db2.gz KNQDZCQDQAVNPI-SNVBAGLBSA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593487745 1286176039 /nfs/dbraw/zinc/17/60/39/1286176039.db2.gz KNQDZCQDQAVNPI-SNVBAGLBSA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001593487745 1286176044 /nfs/dbraw/zinc/17/60/44/1286176044.db2.gz KNQDZCQDQAVNPI-SNVBAGLBSA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001593487745 1286176046 /nfs/dbraw/zinc/17/60/46/1286176046.db2.gz KNQDZCQDQAVNPI-SNVBAGLBSA-N 0 1 365.419 0.872 20 5 FCBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cn1 ZINC001593487117 1286176479 /nfs/dbraw/zinc/17/64/79/1286176479.db2.gz UXFXESKJCMQVMP-CYBMUJFWSA-N 0 1 371.357 0.699 20 5 FCBDMN O=c1[n-]c([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC001593497985 1286180685 /nfs/dbraw/zinc/18/06/85/1286180685.db2.gz ORBZFAUHOUKHMQ-NSHDSACASA-N 0 1 371.361 0.978 20 5 FCBDMN O=c1[n-]c([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC001593497985 1286180691 /nfs/dbraw/zinc/18/06/91/1286180691.db2.gz ORBZFAUHOUKHMQ-NSHDSACASA-N 0 1 371.361 0.978 20 5 FCBDMN Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600026226 1286428504 /nfs/dbraw/zinc/42/85/04/1286428504.db2.gz IKIHXOZRSQHSEA-JTQLQIEISA-N 0 1 364.358 0.608 20 5 FCBDMN Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001600294166 1286470138 /nfs/dbraw/zinc/47/01/38/1286470138.db2.gz ZQFSPUWPLVCGLM-NSHDSACASA-N 0 1 357.388 0.540 20 5 FCBDMN Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001600294166 1286470142 /nfs/dbraw/zinc/47/01/42/1286470142.db2.gz ZQFSPUWPLVCGLM-NSHDSACASA-N 0 1 357.388 0.540 20 5 FCBDMN O=C([O-])[C@]1([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001602625329 1287038097 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ZINC000954069663 1213037921 /nfs/dbraw/zinc/03/79/21/1213037921.db2.gz ZLYVGHUNPRAALD-ZIAGYGMSSA-N 0 1 362.386 0.818 20 5 FCBDMN CN(C(=O)C(C)(C)c1cnc[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954096512 1213039737 /nfs/dbraw/zinc/03/97/37/1213039737.db2.gz RSPLDYQSSBZCRE-CHWSQXEVSA-N 0 1 363.418 0.802 20 5 FCBDMN COc1cc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000954109615 1213040265 /nfs/dbraw/zinc/04/02/65/1213040265.db2.gz UWJBMXCLZOMMCG-DGCLKSJQSA-N 0 1 365.390 0.157 20 5 FCBDMN CCn1ncc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1C1CC1 ZINC000954239241 1213049463 /nfs/dbraw/zinc/04/94/63/1213049463.db2.gz AVXLIFQSNXWHBZ-TZMCWYRMSA-N 0 1 361.402 0.728 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc3c(cn2)OCCC3)C1 ZINC000954240132 1213050108 /nfs/dbraw/zinc/05/01/08/1213050108.db2.gz WSSFVYLOXFHCGC-TZMCWYRMSA-N 0 1 360.370 0.355 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2nn(C)c3ccccc23)C1 ZINC000954239325 1213050208 /nfs/dbraw/zinc/05/02/08/1213050208.db2.gz FLIBOFOBVUTDCY-TZMCWYRMSA-N 0 1 357.370 0.521 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc3nccnc32)C1 ZINC000954239606 1213050272 /nfs/dbraw/zinc/05/02/72/1213050272.db2.gz LHYDDQXRPNDQMC-TZMCWYRMSA-N 0 1 355.354 0.578 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC000954242508 1213051562 /nfs/dbraw/zinc/05/15/62/1213051562.db2.gz RQFOGLZYNSFLDQ-GHMZBOCLSA-N 0 1 360.326 0.481 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cn2ccc3ccccc32)C1 ZINC000954242860 1213051656 /nfs/dbraw/zinc/05/16/56/1213051656.db2.gz YMXYAYIHDCBWEW-GDBMZVCRSA-N 0 1 356.382 0.976 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccccc2-n2ccnn2)C1 ZINC000954242442 1213052124 /nfs/dbraw/zinc/05/21/24/1213052124.db2.gz NMOAKLQHDFHAOU-UKRRQHHQSA-N 0 1 370.369 0.215 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000954244410 1213052445 /nfs/dbraw/zinc/05/24/45/1213052445.db2.gz ZPLAHKSQJAWYFJ-GDBMZVCRSA-N 0 1 369.381 0.820 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000954243251 1213052814 /nfs/dbraw/zinc/05/28/14/1213052814.db2.gz NMOSXEHSGVXQQW-HUUCEWRRSA-N 0 1 370.369 0.215 20 5 FCBDMN CN(C(=O)c1cnn(-c2ccccc2)n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954253161 1213053358 /nfs/dbraw/zinc/05/33/58/1213053358.db2.gz YBWGIYZGECIJDC-UKRRQHHQSA-N 0 1 370.369 0.215 20 5 FCBDMN CN(C)c1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(F)c1 ZINC000954509566 1213080705 /nfs/dbraw/zinc/08/07/05/1213080705.db2.gz RRHSVVFKKYYWGE-UKRRQHHQSA-N 0 1 364.377 0.840 20 5 FCBDMN CN(C(=O)c1ccc2oc(=O)[nH]c2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954519107 1213081411 /nfs/dbraw/zinc/08/14/11/1213081411.db2.gz SUPSGOABQYELBD-ZYHUDNBSSA-N 0 1 360.326 0.481 20 5 FCBDMN Cc1cc(=O)[nH]cc1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954544897 1213082798 /nfs/dbraw/zinc/08/27/98/1213082798.db2.gz OACNSAKWKSFYIK-TZMCWYRMSA-N 0 1 362.386 0.824 20 5 FCBDMN COc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000954622187 1213086846 /nfs/dbraw/zinc/08/68/46/1213086846.db2.gz LALWIMKTEGUSBC-DGCLKSJQSA-N 0 1 363.374 0.213 20 5 FCBDMN CN(C(=O)c1ccn(-c2ccccc2)n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954731453 1213106509 /nfs/dbraw/zinc/10/65/09/1213106509.db2.gz BQNRGZGIGROOEU-GDBMZVCRSA-N 0 1 369.381 0.820 20 5 FCBDMN CN(C(=O)c1cccc2[nH]c(=O)oc21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954747929 1213107435 /nfs/dbraw/zinc/10/74/35/1213107435.db2.gz VMZKSNGSAIGNOJ-ZYHUDNBSSA-N 0 1 360.326 0.481 20 5 FCBDMN CN(C(=O)c1ccc(-n2ccnc2)cn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954790810 1213111071 /nfs/dbraw/zinc/11/10/71/1213111071.db2.gz FWECZWFRKVZQEM-UKRRQHHQSA-N 0 1 370.369 0.215 20 5 FCBDMN CN(C(=O)c1ccc2c(=O)ccoc2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954845715 1213114205 /nfs/dbraw/zinc/11/42/05/1213114205.db2.gz AFXAYUISFBWLGN-ZIAGYGMSSA-N 0 1 371.349 0.741 20 5 FCBDMN CN(C(=O)Cc1ccc2c[nH]nc2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955006689 1213130506 /nfs/dbraw/zinc/13/05/06/1213130506.db2.gz DBHIEPWWWXYAEI-UKRRQHHQSA-N 0 1 357.370 0.440 20 5 FCBDMN Cc1ncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C2CC2)n1 ZINC000955009764 1213130871 /nfs/dbraw/zinc/13/08/71/1213130871.db2.gz PSADYSGQVSQGEI-TZMCWYRMSA-N 0 1 359.386 0.610 20 5 FCBDMN CCc1ncnc(CC)c1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955355763 1213147089 /nfs/dbraw/zinc/14/70/89/1213147089.db2.gz JWTAWBAHRBAXLK-BXUZGUMPSA-N 0 1 361.402 0.549 20 5 FCBDMN COc1ccc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000956366564 1213187588 /nfs/dbraw/zinc/18/75/88/1213187588.db2.gz IKGYENCUVYSLTD-ZYHUDNBSSA-N 0 1 363.374 0.261 20 5 FCBDMN COc1ncc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000956366431 1213187641 /nfs/dbraw/zinc/18/76/41/1213187641.db2.gz GCNRNRPSUOEQQI-VXGBXAGGSA-N 0 1 363.374 0.261 20 5 FCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2ccncn2)CC1 ZINC000956366433 1213187763 /nfs/dbraw/zinc/18/77/63/1213187763.db2.gz GFHFFQQOGCKQJA-ZIAGYGMSSA-N 0 1 361.402 0.572 20 5 FCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000956367457 1213187789 /nfs/dbraw/zinc/18/77/89/1213187789.db2.gz YFGKWLPWYDCFGB-DGCLKSJQSA-N 0 1 361.402 0.675 20 5 FCBDMN Cc1cc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)nn1 ZINC000956379932 1213188945 /nfs/dbraw/zinc/18/89/45/1213188945.db2.gz IIHLRFRUKKCJHS-ZIAGYGMSSA-N 0 1 361.402 0.870 20 5 FCBDMN COc1cnc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000956434504 1213195378 /nfs/dbraw/zinc/19/53/78/1213195378.db2.gz YUPABFQROOWYJP-VXGBXAGGSA-N 0 1 363.374 0.261 20 5 FCBDMN Cc1nn(C)c(F)c1C(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956448790 1213196892 /nfs/dbraw/zinc/19/68/92/1213196892.db2.gz HFYANQWILVIZPD-GHMZBOCLSA-N 0 1 367.381 0.644 20 5 FCBDMN O=C(Cc1ncc[nH]1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000959732556 1213522279 /nfs/dbraw/zinc/52/22/79/1213522279.db2.gz JSTMXQRHBDIFAG-XVIXHAIJSA-N 0 1 361.402 0.503 20 5 FCBDMN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1)[C@@H]1CC1[N+](=O)[O-] ZINC000959732957 1213522335 /nfs/dbraw/zinc/52/23/35/1213522335.db2.gz WSWJZGMTZNCYCD-WPLOAARJSA-N 0 1 359.386 0.641 20 5 FCBDMN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000959732080 1213522637 /nfs/dbraw/zinc/52/26/37/1213522637.db2.gz TZNMCURZFFWBNC-DPZJBDQQSA-N 0 1 365.430 0.964 20 5 FCBDMN Cc1nonc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000959737702 1213523520 /nfs/dbraw/zinc/52/35/20/1213523520.db2.gz FHCKIKLYEFAMSJ-NZEXEKPDSA-N 0 1 363.374 0.543 20 5 FCBDMN O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=COCCO1 ZINC000959755831 1213525047 /nfs/dbraw/zinc/52/50/47/1213525047.db2.gz GQFZIVVVIMZHHD-AAVRWANBSA-N 0 1 367.402 0.579 20 5 FCBDMN O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnccn1 ZINC000959755474 1213525297 /nfs/dbraw/zinc/52/52/97/1213525297.db2.gz SMUFPPHTRLCDSW-RGCMKSIDSA-N 0 1 361.402 0.794 20 5 FCBDMN Cn1ccc(CC(=O)N2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001010652406 1213806019 /nfs/dbraw/zinc/80/60/19/1213806019.db2.gz KGKNKMKZTKPCOL-ZIAGYGMSSA-N 0 1 361.402 0.079 20 5 FCBDMN CCn1cnc(C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c1 ZINC001010652411 1213806083 /nfs/dbraw/zinc/80/60/83/1213806083.db2.gz KLCKRKYQPQTDAF-TZMCWYRMSA-N 0 1 361.402 0.633 20 5 FCBDMN Cc1n[nH]nc1C(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001010976908 1213824986 /nfs/dbraw/zinc/82/49/86/1213824986.db2.gz ZWWOFQGLWVECMP-WVATUKLVSA-N 0 1 362.390 0.089 20 5 FCBDMN CCc1cc(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC001017442210 1213826240 /nfs/dbraw/zinc/82/62/40/1213826240.db2.gz GJUXLWCAHLAOAL-UKRRQHHQSA-N 0 1 361.402 0.536 20 5 FCBDMN O=C(c1nncc2ccccc21)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011112708 1213829337 /nfs/dbraw/zinc/82/93/37/1213829337.db2.gz BYCOSXHFIZPTRO-ZIAGYGMSSA-N 0 1 355.354 0.579 20 5 FCBDMN O=C(c1cnoc1-c1ccco1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011113459 1213829771 /nfs/dbraw/zinc/82/97/71/1213829771.db2.gz NIWHXQKOASRWED-ZYHUDNBSSA-N 0 1 360.326 0.884 20 5 FCBDMN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114448 1213830143 /nfs/dbraw/zinc/83/01/43/1213830143.db2.gz HOEUEJZHMAPMFE-ZIAGYGMSSA-N 0 1 370.369 0.421 20 5 FCBDMN O=C(c1noc2c1CCCCC2)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011113911 1213830191 /nfs/dbraw/zinc/83/01/91/1213830191.db2.gz ZJXNYDIURGFWEC-CHWSQXEVSA-N 0 1 362.386 0.893 20 5 FCBDMN CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(=O)[nH]1 ZINC001011114116 1213830206 /nfs/dbraw/zinc/83/02/06/1213830206.db2.gz DTLHYMMSAGGGRM-TZMCWYRMSA-N 0 1 362.386 0.860 20 5 FCBDMN COc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011113709 1213830337 /nfs/dbraw/zinc/83/03/37/1213830337.db2.gz VFGCEWIOWGGTBT-CHWSQXEVSA-N 0 1 363.370 0.410 20 5 FCBDMN CCc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001011115371 1213831002 /nfs/dbraw/zinc/83/10/02/1213831002.db2.gz AIDUADVWMSXTKA-HZPDHXFCSA-N 0 1 361.398 0.964 20 5 FCBDMN CCCn1nc(C)c(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001011115538 1213831695 /nfs/dbraw/zinc/83/16/95/1213831695.db2.gz JKHZSSACRVQXNW-ZIAGYGMSSA-N 0 1 363.418 0.860 20 5 FCBDMN O=C(COC1CCOCC1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017445191 1213867981 /nfs/dbraw/zinc/86/79/81/1213867981.db2.gz HFDUOTYCXWSAGS-HUUCEWRRSA-N 0 1 367.402 0.122 20 5 FCBDMN CCc1cc(C(=O)NC2CC3(C2)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C3)[nH]n1 ZINC001013971031 1213912558 /nfs/dbraw/zinc/91/25/58/1213912558.db2.gz HCBQUOBITQLVES-CCUZLIGHSA-N 0 1 361.402 0.795 20 5 FCBDMN Cc1nc[nH]c1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001014000254 1213916523 /nfs/dbraw/zinc/91/65/23/1213916523.db2.gz KOBZHHKPGMXZOT-CCUZLIGHSA-N 0 1 361.402 0.469 20 5 FCBDMN O=C(NC1(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1)C1=COCCO1 ZINC001017131552 1214074405 /nfs/dbraw/zinc/07/44/05/1214074405.db2.gz YNRVRNAIEBEEOP-CHWSQXEVSA-N 0 1 365.386 0.427 20 5 FCBDMN Cc1cc(C(=O)NC2(C3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)[nH]n1 ZINC001017138678 1214074428 /nfs/dbraw/zinc/07/44/28/1214074428.db2.gz PFFPITQZGPNODE-TZMCWYRMSA-N 0 1 361.402 0.884 20 5 FCBDMN O=C(Cn1ccnc1)N1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001017158859 1214078104 /nfs/dbraw/zinc/07/81/04/1214078104.db2.gz CCQUACKCNPFDAF-ZIAGYGMSSA-N 0 1 361.402 0.436 20 5 FCBDMN Cc1cnccc1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017441210 1214095669 /nfs/dbraw/zinc/09/56/69/1214095669.db2.gz ZGCNLNVOLJRCDW-HZPDHXFCSA-N 0 1 358.398 0.873 20 5 FCBDMN O=C(NCC1=CCN(C(=O)c2ncc(F)cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017444271 1214096603 /nfs/dbraw/zinc/09/66/03/1214096603.db2.gz WBVPBTBWEPSGHV-DGCLKSJQSA-N 0 1 366.324 0.914 20 5 FCBDMN CCn1ccc(CC(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001017444476 1214096867 /nfs/dbraw/zinc/09/68/67/1214096867.db2.gz YWWRKISPQCHSCC-HUUCEWRRSA-N 0 1 361.402 0.386 20 5 FCBDMN O=C(Cc1ccc(=O)[nH]c1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017445581 1214097145 /nfs/dbraw/zinc/09/71/45/1214097145.db2.gz JPXDWXJJZHZKQS-ZIAGYGMSSA-N 0 1 360.370 0.270 20 5 FCBDMN COCc1ccc(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001017447048 1214097272 /nfs/dbraw/zinc/09/72/72/1214097272.db2.gz VTPIRYMFBFDBSR-ZIAGYGMSSA-N 0 1 363.370 0.980 20 5 FCBDMN Cc1cc(C(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)nn1 ZINC001017474171 1214099024 /nfs/dbraw/zinc/09/90/24/1214099024.db2.gz MZOACEJYLAMNNQ-HUUCEWRRSA-N 0 1 359.386 0.647 20 5 FCBDMN O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccn2nccc12 ZINC001017585552 1214120431 /nfs/dbraw/zinc/12/04/31/1214120431.db2.gz LTVDASLPTYIYEQ-GDBMZVCRSA-N 0 1 369.381 0.888 20 5 FCBDMN O=C(c1ncnc2[nH]ccc21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013886 1214178800 /nfs/dbraw/zinc/17/88/00/1214178800.db2.gz OBPAUTOHZUBBEE-VXGBXAGGSA-N 0 1 370.369 0.249 20 5 FCBDMN O=C(c1ccc2cccnn21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014018 1214178821 /nfs/dbraw/zinc/17/88/21/1214178821.db2.gz RAUDNHZPBBLXPE-UKRRQHHQSA-N 0 1 369.381 0.674 20 5 FCBDMN O=C(c1cnc2cc[nH]c2c1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014220 1214178999 /nfs/dbraw/zinc/17/89/99/1214178999.db2.gz WCKOUWKGNIKWEJ-IUODEOHRSA-N 0 1 369.381 0.903 20 5 FCBDMN O=C(c1cccc2ncnn21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014072 1214179063 /nfs/dbraw/zinc/17/90/63/1214179063.db2.gz SSEPITLLSXCPMO-DGCLKSJQSA-N 0 1 370.369 0.069 20 5 FCBDMN O=C(CCc1cncnc1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014770 1214179919 /nfs/dbraw/zinc/17/99/19/1214179919.db2.gz DVNXZTYCKBJVAE-ZIAGYGMSSA-N 0 1 359.386 0.135 20 5 FCBDMN Cc1cc(OCC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)no1 ZINC001019109524 1214198154 /nfs/dbraw/zinc/19/81/54/1214198154.db2.gz LOLJWSIDJJDWOL-VXGBXAGGSA-N 0 1 364.358 0.088 20 5 FCBDMN O=C(c1cnc2cc[nH]c2c1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019129079 1214200165 /nfs/dbraw/zinc/20/01/65/1214200165.db2.gz UXTWYEAUTTUATE-IUODEOHRSA-N 0 1 369.381 0.903 20 5 FCBDMN CCCc1n[nH]cc1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019173694 1214212297 /nfs/dbraw/zinc/21/22/97/1214212297.db2.gz ROUBBIYKMVJHCM-BXUZGUMPSA-N 0 1 361.402 0.702 20 5 FCBDMN CC(C)c1n[nH]cc1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019174675 1214212858 /nfs/dbraw/zinc/21/28/58/1214212858.db2.gz BMLLVDGYHQMVAO-DGCLKSJQSA-N 0 1 361.402 0.873 20 5 FCBDMN O=C(c1cccn2nccc12)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019205428 1214216813 /nfs/dbraw/zinc/21/68/13/1214216813.db2.gz WZLWEJLWHUZWMD-UKRRQHHQSA-N 0 1 369.381 0.674 20 5 FCBDMN O=C(c1c[nH]c2cccnc12)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019209048 1214218420 /nfs/dbraw/zinc/21/84/20/1214218420.db2.gz TXWPCSYPNSFXRJ-BXUZGUMPSA-N 0 1 369.381 0.903 20 5 FCBDMN CCOc1cc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)[nH]n1 ZINC000961550908 1214223973 /nfs/dbraw/zinc/22/39/73/1214223973.db2.gz LMLRXSPMCNARSV-LSCVPOLPSA-N 0 1 363.374 0.004 20 5 FCBDMN CCc1nn(C)cc1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961551770 1214224524 /nfs/dbraw/zinc/22/45/24/1214224524.db2.gz VCLPQSWNXPVMEN-NWJSVONSSA-N 0 1 361.402 0.178 20 5 FCBDMN COc1cccc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC000961554417 1214226207 /nfs/dbraw/zinc/22/62/07/1214226207.db2.gz PBYQHAJJYIBLSV-OCVGTWLNSA-N 0 1 359.382 0.891 20 5 FCBDMN O=C(c1ccn(C(F)F)n1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961554237 1214226244 /nfs/dbraw/zinc/22/62/44/1214226244.db2.gz NEWUAGNXYMFUKM-DTHBNOIPSA-N 0 1 369.328 0.474 20 5 FCBDMN O=C(c1ccc2nonc2c1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019360357 1214233626 /nfs/dbraw/zinc/23/36/26/1214233626.db2.gz MCHCVCXEGYJWFV-BXUZGUMPSA-N 0 1 371.353 0.563 20 5 FCBDMN COc1cccc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001019377876 1214234438 /nfs/dbraw/zinc/23/44/38/1214234438.db2.gz VYIFJAACCYQYPP-DGCLKSJQSA-N 0 1 360.370 0.430 20 5 FCBDMN CCn1ncc(CN2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001040699384 1214567576 /nfs/dbraw/zinc/56/75/76/1214567576.db2.gz CEQUALJGWBTJBR-HUUCEWRRSA-N 0 1 362.434 0.778 20 5 FCBDMN CN(Cc1ccccc1CNC(=O)c1ccn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000963869954 1214865541 /nfs/dbraw/zinc/86/55/41/1214865541.db2.gz BUBFJWOLNWNUFO-GDBMZVCRSA-N 0 1 371.397 0.974 20 5 FCBDMN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963966036 1214880185 /nfs/dbraw/zinc/88/01/85/1214880185.db2.gz CHCIWJFXEXWWEW-DDHJBXDOSA-N 0 1 365.390 0.494 20 5 FCBDMN Cn1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]c1=O ZINC000963968790 1214880759 /nfs/dbraw/zinc/88/07/59/1214880759.db2.gz VMUZVOCWAJDQRM-PRULPYPASA-N 0 1 365.390 0.196 20 5 FCBDMN Cc1cccc(C(=O)N2CCOC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC000965315148 1215042320 /nfs/dbraw/zinc/04/23/20/1215042320.db2.gz KWTKTAMMSPNSBC-TZMCWYRMSA-N 0 1 360.370 0.109 20 5 FCBDMN Cc1ccncc1C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000965343090 1215046341 /nfs/dbraw/zinc/04/63/41/1215046341.db2.gz JEGSZRPASSJCMC-TZMCWYRMSA-N 0 1 360.370 0.109 20 5 FCBDMN Cc1ccncc1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965375275 1215050855 /nfs/dbraw/zinc/05/08/55/1215050855.db2.gz KFRZQOOACLCCNF-TZMCWYRMSA-N 0 1 360.370 0.109 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(C(=O)C3C=CC=CC=C3)C2)C1 ZINC000965374517 1215050901 /nfs/dbraw/zinc/05/09/01/1215050901.db2.gz ICSFDAKHTROMJX-HUUCEWRRSA-N 0 1 359.382 0.390 20 5 FCBDMN COc1ccc(C(=O)N2CCOC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)o1 ZINC000965457011 1215069971 /nfs/dbraw/zinc/06/99/71/1215069971.db2.gz BADYFJAEJJYHOD-GHMZBOCLSA-N 0 1 365.342 0.007 20 5 FCBDMN CC1(C)CC(CC(=O)N2CCOC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)C1 ZINC000965456556 1215070040 /nfs/dbraw/zinc/07/00/40/1215070040.db2.gz DROXPACLTQTIMZ-ZIAGYGMSSA-N 0 1 365.430 0.918 20 5 FCBDMN Cn1nncc1C(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000965863672 1215137799 /nfs/dbraw/zinc/13/77/99/1215137799.db2.gz CLYZOIOKSAGKHQ-ZIAGYGMSSA-N 0 1 370.369 0.253 20 5 FCBDMN Cc1nn[nH]c1C(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000965873828 1215139807 /nfs/dbraw/zinc/13/98/07/1215139807.db2.gz MOZOGYLRMJQJSA-ZIAGYGMSSA-N 0 1 370.369 0.551 20 5 FCBDMN O=C(NCc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2)c1ccnnc1 ZINC000965880124 1215140786 /nfs/dbraw/zinc/14/07/86/1215140786.db2.gz NXPTVSRMBPEXPV-HZPDHXFCSA-N 0 1 367.365 0.914 20 5 FCBDMN O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967348782 1215232332 /nfs/dbraw/zinc/23/23/32/1215232332.db2.gz KVHYSWKYWLIDMK-KFAZNAIPSA-N 0 1 363.414 0.241 20 5 FCBDMN O=C(Cc1cnoc1)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC000967375269 1215234776 /nfs/dbraw/zinc/23/47/76/1215234776.db2.gz GUKVECMMCILLNR-LXTVHRRPSA-N 0 1 362.386 0.579 20 5 FCBDMN O=C(c1ccon1)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000967688905 1215255540 /nfs/dbraw/zinc/25/55/40/1215255540.db2.gz HXWZKYKDRDEXBP-DGCLKSJQSA-N 0 1 364.358 0.173 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cc2ncccc2OC)C1 ZINC000967945667 1215265619 /nfs/dbraw/zinc/26/56/19/1215265619.db2.gz HXBRVLPZAFLUPP-TZMCWYRMSA-N 0 1 362.386 0.357 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cncc(COC)c2)C1 ZINC000967944810 1215265640 /nfs/dbraw/zinc/26/56/40/1215265640.db2.gz AHHVCZHYOOOWJP-HUUCEWRRSA-N 0 1 362.386 0.566 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cn(C)nc2C(F)F)C1 ZINC000967947418 1215265725 /nfs/dbraw/zinc/26/57/25/1215265725.db2.gz VONDBLYJTGYPJI-MWLCHTKSSA-N 0 1 371.344 0.696 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn(C(C)(C)C)n2)C1 ZINC000967949878 1215266091 /nfs/dbraw/zinc/26/60/91/1215266091.db2.gz LFSOGKHMGOZTLR-TZMCWYRMSA-N 0 1 363.418 0.976 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccnc3ccnn32)C1 ZINC000967951196 1215266131 /nfs/dbraw/zinc/26/61/31/1215266131.db2.gz NKRUIWRNNMRJGN-DGCLKSJQSA-N 0 1 358.358 0.067 20 5 FCBDMN CCCn1cc(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC000967948170 1215266248 /nfs/dbraw/zinc/26/62/48/1215266248.db2.gz DDSUSFIVDNYQJH-UKRRQHHQSA-N 0 1 363.418 0.940 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ncn3ccc(C)cc23)C1 ZINC000967951569 1215266475 /nfs/dbraw/zinc/26/64/75/1215266475.db2.gz IDMSQLRFHCQFPG-ZIAGYGMSSA-N 0 1 371.397 0.981 20 5 FCBDMN CCN(C(=O)c1cccnc1N(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967971867 1215267837 /nfs/dbraw/zinc/26/78/37/1215267837.db2.gz HHVYZHRYUQYDNM-ZIAGYGMSSA-N 0 1 361.402 0.486 20 5 FCBDMN CCN(C(=O)c1c[nH]c2ncccc12)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967986419 1215268609 /nfs/dbraw/zinc/26/86/09/1215268609.db2.gz HWLYQDOKHSCNNR-TZMCWYRMSA-N 0 1 357.370 0.901 20 5 FCBDMN CCN(C(=O)c1cc(C(F)F)ncn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968101250 1215287501 /nfs/dbraw/zinc/28/75/01/1215287501.db2.gz OWTGMBKFWYTUTB-BXKDBHETSA-N 0 1 369.328 0.752 20 5 FCBDMN COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC001057545669 1216352722 /nfs/dbraw/zinc/35/27/22/1216352722.db2.gz JZKJMJUMLLGVRU-DGCLKSJQSA-N 0 1 369.349 0.050 20 5 FCBDMN O=C(NCCN(CCO)C(=O)c1ccn2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001057908521 1216603551 /nfs/dbraw/zinc/60/35/51/1216603551.db2.gz SESUMZBDUHRYOK-UKRRQHHQSA-N 0 1 364.402 0.040 20 5 FCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001069204145 1216778659 /nfs/dbraw/zinc/77/86/59/1216778659.db2.gz ARKVBJZEGNLBIZ-CHWSQXEVSA-N 0 1 366.418 0.065 20 5 FCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001069299854 1216783340 /nfs/dbraw/zinc/78/33/40/1216783340.db2.gz QCUWNWRLLVUYJM-CHWSQXEVSA-N 0 1 362.386 0.953 20 5 FCBDMN CCC1(NC(=O)Cc2[nH]cnc2C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367853 1216785492 /nfs/dbraw/zinc/78/54/92/1216785492.db2.gz DQAOJJSVKIQHOR-TZMCWYRMSA-N 0 1 363.418 0.813 20 5 FCBDMN Cc1cccnc1CN1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001069860121 1216805977 /nfs/dbraw/zinc/80/59/77/1216805977.db2.gz FPSDMHFLWGLKFP-GDBMZVCRSA-N 0 1 370.413 0.884 20 5 FCBDMN O=C(COC1CCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070010919 1216896980 /nfs/dbraw/zinc/89/69/80/1216896980.db2.gz LMBLAYKJAYACCY-ZIAGYGMSSA-N 0 1 369.418 0.392 20 5 FCBDMN Cc1ccncc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070052296 1216929358 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/nfs/dbraw/zinc/64/52/88/1273645288.db2.gz IWQCNAHGRORVSW-SECBINFHSA-N 0 1 354.313 0.854 20 5 FCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2cn[nH]n2)c2ccccc2)n1 ZINC001577658973 1274669261 /nfs/dbraw/zinc/66/92/61/1274669261.db2.gz VTCACGBFGVOXHF-GFCCVEGCSA-N 0 1 363.359 0.514 20 5 FCBDMN COC[C@@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CNCCO1 ZINC001578972725 1276518112 /nfs/dbraw/zinc/51/81/12/1276518112.db2.gz QYJZVDVQRGJMMJ-MRXNPFEDSA-N 0 1 351.359 0.189 20 5 FCBDMN CC(C)(O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603171236 1287322106 /nfs/dbraw/zinc/32/21/06/1287322106.db2.gz GHNZYLRXVGEIHT-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN CC(C)(O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001603171236 1287322111 /nfs/dbraw/zinc/32/21/11/1287322111.db2.gz GHNZYLRXVGEIHT-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001588991139 1282758656 /nfs/dbraw/zinc/75/86/56/1282758656.db2.gz BLPHHMWKJPZPDY-VIFPVBQESA-N 0 1 372.349 0.156 20 5 FCBDMN CC1(C)[C@H](O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590076778 1283206100 /nfs/dbraw/zinc/20/61/00/1283206100.db2.gz GQMMASOHZCTEDT-SNVBAGLBSA-N 0 1 368.375 0.309 20 5 FCBDMN C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC001590316367 1283460475 /nfs/dbraw/zinc/46/04/75/1283460475.db2.gz LDPDQECEGUTDDT-SNVBAGLBSA-N 0 1 362.394 0.451 20 5 FCBDMN CC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OC ZINC001590446040 1283541907 /nfs/dbraw/zinc/54/19/07/1283541907.db2.gz DCXZBBIIHGWHML-MRVPVSSYSA-N 0 1 356.364 0.478 20 5 FCBDMN CCC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590557271 1283603765 /nfs/dbraw/zinc/60/37/65/1283603765.db2.gz MENPGYQIPBSCDL-SECBINFHSA-N 0 1 370.391 0.604 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001591216207 1284351588 /nfs/dbraw/zinc/35/15/88/1284351588.db2.gz HHEZMTJDCYNFAD-UHFFFAOYSA-N 0 1 371.361 0.902 20 5 FCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001591216207 1284351597 /nfs/dbraw/zinc/35/15/97/1284351597.db2.gz HHEZMTJDCYNFAD-UHFFFAOYSA-N 0 1 371.361 0.902 20 5 FCBDMN Cc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001592064284 1285101830 /nfs/dbraw/zinc/10/18/30/1285101830.db2.gz FHIUTSNUQSVMCJ-UHFFFAOYSA-N 0 1 361.343 0.701 20 5 FCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC001592197619 1285178873 /nfs/dbraw/zinc/17/88/73/1285178873.db2.gz NSFNYMWXTGTYHR-UHFFFAOYSA-N 0 1 355.314 0.884 20 5 FCBDMN Nc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759450 1285681554 /nfs/dbraw/zinc/68/15/54/1285681554.db2.gz BGQKBCRLZFZGGG-LBPRGKRZSA-N 0 1 374.405 0.393 20 5 FCBDMN Nc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759450 1285681565 /nfs/dbraw/zinc/68/15/65/1285681565.db2.gz BGQKBCRLZFZGGG-LBPRGKRZSA-N 0 1 374.405 0.393 20 5 FCBDMN Nc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759450 1285681575 /nfs/dbraw/zinc/68/15/75/1285681575.db2.gz BGQKBCRLZFZGGG-LBPRGKRZSA-N 0 1 374.405 0.393 20 5 FCBDMN Nc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759450 1285681586 /nfs/dbraw/zinc/68/15/86/1285681586.db2.gz BGQKBCRLZFZGGG-LBPRGKRZSA-N 0 1 374.405 0.393 20 5 FCBDMN CN(c1ccn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609282414 1289045363 /nfs/dbraw/zinc/04/53/63/1289045363.db2.gz WZGCTXWVHJUJEK-UHFFFAOYSA-N 0 1 364.347 0.334 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H](O)C2CC2)c1-c1nn[nH]n1 ZINC001593485166 1286173958 /nfs/dbraw/zinc/17/39/58/1286173958.db2.gz KWGYURXWVWACGN-SNVBAGLBSA-N 0 1 368.375 0.214 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CCC2)c1-c1nn[nH]n1 ZINC001593483729 1286173997 /nfs/dbraw/zinc/17/39/97/1286173997.db2.gz FYVNHCUHLFODJV-SECBINFHSA-N 0 1 368.375 0.214 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001600302256 1286474191 /nfs/dbraw/zinc/47/41/91/1286474191.db2.gz GKCRIZKIGDHFRH-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001600302256 1286474197 /nfs/dbraw/zinc/47/41/97/1286474197.db2.gz GKCRIZKIGDHFRH-GFCCVEGCSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600488638 1286497540 /nfs/dbraw/zinc/49/75/40/1286497540.db2.gz ZHQPNPUSXDHSGS-AAEUAGOBSA-N 0 1 351.359 0.999 20 5 FCBDMN O=C([O-])CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001602068787 1286923463 /nfs/dbraw/zinc/92/34/63/1286923463.db2.gz VZDJGGSJLOZXMZ-CYBMUJFWSA-N 0 1 364.358 0.589 20 5 FCBDMN CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1[NH+](C)C ZINC001609370255 1289126507 /nfs/dbraw/zinc/12/65/07/1289126507.db2.gz ZOJSROLXMLRLCW-VXGBXAGGSA-N 0 1 364.435 0.839 20 5 FCBDMN CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1[NH+](C)C ZINC001609370255 1289126510 /nfs/dbraw/zinc/12/65/10/1289126510.db2.gz ZOJSROLXMLRLCW-VXGBXAGGSA-N 0 1 364.435 0.839 20 5 FCBDMN CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001603030254 1287192549 /nfs/dbraw/zinc/19/25/49/1287192549.db2.gz AKZGFSXMZFSGTA-OKILXGFUSA-N 0 1 363.370 0.968 20 5 FCBDMN COCc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001605133596 1287892376 /nfs/dbraw/zinc/89/23/76/1287892376.db2.gz KNNGWLUBFHWNPZ-UHFFFAOYSA-N 0 1 372.345 0.434 20 5 FCBDMN CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001605577665 1288017430 /nfs/dbraw/zinc/01/74/30/1288017430.db2.gz YBKQXKCQEZEFIG-JTQLQIEISA-N 0 1 352.347 0.619 20 5 FCBDMN C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001606255035 1288238163 /nfs/dbraw/zinc/23/81/63/1288238163.db2.gz XVKUNABOARBEFQ-AOOOYVTPSA-N 0 1 355.372 0.475 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCN1CCOCC1)CC(=O)[O-] ZINC001607192061 1288681808 /nfs/dbraw/zinc/68/18/08/1288681808.db2.gz WURLGGVIKSNWMY-UHFFFAOYSA-N 0 1 353.375 0.822 20 5 FCBDMN O=C([O-])C1(O)CN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001608579397 1288856542 /nfs/dbraw/zinc/85/65/42/1288856542.db2.gz WSTQQYABHVBGQL-UHFFFAOYSA-N 0 1 363.414 0.981 20 5 FCBDMN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609153444 1288953516 /nfs/dbraw/zinc/95/35/16/1288953516.db2.gz UNFJHOYEMGDADG-SNVBAGLBSA-N 0 1 360.378 0.331 20 5 FCBDMN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609153444 1288953521 /nfs/dbraw/zinc/95/35/21/1288953521.db2.gz UNFJHOYEMGDADG-SNVBAGLBSA-N 0 1 360.378 0.331 20 5 FCBDMN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCN(CCCCO)CC1 ZINC001609602940 1289258663 /nfs/dbraw/zinc/25/86/63/1289258663.db2.gz QANHGGNGPZLUHH-UHFFFAOYSA-N 0 1 361.406 0.665 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1-c1nn[n-]n1 ZINC001609602924 1289258875 /nfs/dbraw/zinc/25/88/75/1289258875.db2.gz PKAAMCRXESWJEP-SECBINFHSA-N 0 1 367.391 0.195 20 5 FCBDMN C[C@@H](NC(=O)c1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609774035 1289295642 /nfs/dbraw/zinc/29/56/42/1289295642.db2.gz SJLUNCCJVMWLOP-LLVKDONJSA-N 0 1 350.375 0.940 20 5 FCBDMN COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001610332961 1289460940 /nfs/dbraw/zinc/46/09/40/1289460940.db2.gz OIQLHEJBNOHMLF-GFCCVEGCSA-N 0 1 366.374 0.761 20 5 FCBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C)nc1C(F)F ZINC001688397850 1294489031 /nfs/dbraw/zinc/48/90/31/1294489031.db2.gz NDGHXEDQWZZVNK-PSASIEDQSA-N 0 1 359.333 0.601 20 5 FCBDMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cnn(C)c1 ZINC001688520503 1294503068 /nfs/dbraw/zinc/50/30/68/1294503068.db2.gz LQDUZGNHMSXRFA-ZIAGYGMSSA-N 0 1 351.407 0.371 20 5 FCBDMN COCC1(C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001688579886 1294511006 /nfs/dbraw/zinc/51/10/06/1294511006.db2.gz DNXCKAOJRWBZEL-ZIAGYGMSSA-N 0 1 353.419 0.775 20 5 FCBDMN O=C(CN1CCCC1=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688827854 1294539751 /nfs/dbraw/zinc/53/97/51/1294539751.db2.gz OFPOVXJOJZXONA-ZIAGYGMSSA-N 0 1 366.418 0.019 20 5 FCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncn1-c1ccccc1 ZINC001689325828 1294751187 /nfs/dbraw/zinc/75/11/87/1294751187.db2.gz DXYHONACRJAARM-DPOFCPOHSA-N 0 1 369.381 0.940 20 5 FCBDMN COc1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC001689326259 1294751669 /nfs/dbraw/zinc/75/16/69/1294751669.db2.gz NNHBFGRDLXSBIZ-FGTRRKKMSA-N 0 1 363.370 0.771 20 5 FCBDMN CC(C)n1nccc1NC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690939510 1294893210 /nfs/dbraw/zinc/89/32/10/1294893210.db2.gz BAVIBQORDGSLHF-VXGBXAGGSA-N 0 1 352.395 0.116 20 5 FCBDMN Nc1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164741428 720719943 /nfs/dbraw/zinc/71/99/43/720719943.db2.gz TUMXVNVCQFBLRG-NEPJUHHUSA-N 0 1 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357.313 0.181 20 5 FCBDMN CC(C)c1scnc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543560 676088923 /nfs/dbraw/zinc/08/89/23/676088923.db2.gz OLMVPDXOOCKMBO-GHMZBOCLSA-N 0 1 370.431 0.482 20 5 FCBDMN Cc1sccc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545900 676089921 /nfs/dbraw/zinc/08/99/21/676089921.db2.gz UWKKXQBNJAQPFU-CHWSQXEVSA-N 0 1 355.416 0.201 20 5 FCBDMN O=C(NCCN(CCO)C(=O)c1ccc(CF)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001057914159 676130913 /nfs/dbraw/zinc/13/09/13/676130913.db2.gz KDLFONZVNAUOSA-ZIAGYGMSSA-N 0 1 353.350 0.372 20 5 FCBDMN CCc1cc(C)c(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001058162163 676140291 /nfs/dbraw/zinc/14/02/91/676140291.db2.gz NITWDDVQDWWASP-CHWSQXEVSA-N 0 1 353.375 0.366 20 5 FCBDMN O=C(c1csc(=O)[nH]1)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010653358 675369781 /nfs/dbraw/zinc/36/97/81/675369781.db2.gz TYZLRSUITTVATH-MWLCHTKSSA-N 0 1 366.399 0.579 20 5 FCBDMN CC(C)(O)CC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001010972654 675372013 /nfs/dbraw/zinc/37/20/13/675372013.db2.gz YHTXRUUZCIJOCN-SKNMWMDOSA-N 0 1 353.419 0.510 20 5 FCBDMN Cc1noc(C(F)F)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011113508 675373286 /nfs/dbraw/zinc/37/32/86/675373286.db2.gz PXHOVBDOPZSKEM-RKDXNWHRSA-N 0 1 358.301 0.870 20 5 FCBDMN CCc1[nH]nc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1Cl ZINC001011114535 675373691 /nfs/dbraw/zinc/37/36/91/675373691.db2.gz PYLFUCLJSMUGJZ-PSASIEDQSA-N 0 1 355.782 0.575 20 5 FCBDMN O=C(c1ncsc1C1CC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011115457 675374007 /nfs/dbraw/zinc/37/40/07/675374007.db2.gz FOKSIVUVVCBABW-GHMZBOCLSA-N 0 1 350.400 0.970 20 5 FCBDMN O=C(Cc1cncs1)NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001014000308 675387771 /nfs/dbraw/zinc/38/77/71/675387771.db2.gz LMSZSEUYKXQVOV-ICJZLJJZSA-N 0 1 364.427 0.894 20 5 FCBDMN COc1nc(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 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SPSVAAMOAIJERA-HTQZYQBOSA-N 0 1 359.285 0.186 20 5 FCBDMN O=C(CCCc1ccsc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978919 675559204 /nfs/dbraw/zinc/55/92/04/675559204.db2.gz SWMKMZLVNNBOMK-CHWSQXEVSA-N 0 1 367.427 0.426 20 5 FCBDMN Cc1cc(C)c(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001044699686 675643961 /nfs/dbraw/zinc/64/39/61/675643961.db2.gz APRAICNDRXKVBP-VXGBXAGGSA-N 0 1 367.427 0.262 20 5 FCBDMN COCc1noc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001045436067 675653531 /nfs/dbraw/zinc/65/35/31/675653531.db2.gz GFJUVVYRLHSCCO-GHMZBOCLSA-N 0 1 353.379 0.352 20 5 FCBDMN CN(C)c1nc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ns1 ZINC001045436728 675653806 /nfs/dbraw/zinc/65/38/06/675653806.db2.gz VOFSRWFAVWTUCM-GHMZBOCLSA-N 0 1 368.463 0.740 20 5 FCBDMN Cc1cc(Cl)ccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001045696843 675657282 /nfs/dbraw/zinc/65/72/82/675657282.db2.gz FLUAZIDJZATNHA-CHWSQXEVSA-N 0 1 367.789 0.617 20 5 FCBDMN 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O=C(c1cn2cccnc2n1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013810 1214178585 /nfs/dbraw/zinc/17/85/85/1214178585.db2.gz MEECFOHTALIVSI-DGCLKSJQSA-N 0 1 370.369 0.069 20 5 FCBDMN O=C(CCc1ccncc1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014002 1214178875 /nfs/dbraw/zinc/17/88/75/1214178875.db2.gz QDLBISXJTWDEMB-HUUCEWRRSA-N 0 1 358.398 0.740 20 5 FCBDMN O=C(CCc1ccccn1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019013756 1214178893 /nfs/dbraw/zinc/17/88/93/1214178893.db2.gz LFJDSMCPPKQHGZ-HUUCEWRRSA-N 0 1 358.398 0.740 20 5 FCBDMN CCc1c(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)ccn1C ZINC001019014945 1214179790 /nfs/dbraw/zinc/17/97/90/1214179790.db2.gz HTSKEMCECBAHPV-UKRRQHHQSA-N 0 1 360.414 0.927 20 5 FCBDMN O=C(c1ccnc2[nH]cnc21)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019015155 1214179907 /nfs/dbraw/zinc/17/99/07/1214179907.db2.gz KMQHJVZBCGJQHH-VXGBXAGGSA-N 0 1 370.369 0.298 20 5 FCBDMN O=C(c1conc1C1CC1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019015408 1214180499 /nfs/dbraw/zinc/18/04/99/1214180499.db2.gz VUBQPRIACCFNAB-DGCLKSJQSA-N 0 1 360.370 0.892 20 5 FCBDMN O=C(c1cc2cccn2cn1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019133182 1214199994 /nfs/dbraw/zinc/19/99/94/1214199994.db2.gz POFWZCZCAYRAJF-UKRRQHHQSA-N 0 1 369.381 0.674 20 5 FCBDMN COc1ccc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)cn1 ZINC001019184974 1214214738 /nfs/dbraw/zinc/21/47/38/1214214738.db2.gz NDCAYLIKGXHVTE-CHWSQXEVSA-N 0 1 360.370 0.430 20 5 FCBDMN Cc1cc(C)n(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001019184763 1214215187 /nfs/dbraw/zinc/21/51/87/1214215187.db2.gz DRZLWJUEQBIPNF-ZIAGYGMSSA-N 0 1 361.402 0.226 20 5 FCBDMN Cc1nn(C)c(C)c1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019222980 1214218405 /nfs/dbraw/zinc/21/84/05/1214218405.db2.gz YRGULRNVLVBOED-CHWSQXEVSA-N 0 1 361.402 0.377 20 5 FCBDMN Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961550366 1214223438 /nfs/dbraw/zinc/22/34/38/1214223438.db2.gz AOPDHUDWPCHOJI-AYRXBEOTSA-N 0 1 362.386 0.416 20 5 FCBDMN O=C(c1cc(C(F)F)n[nH]1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961552336 1214224763 /nfs/dbraw/zinc/22/47/63/1214224763.db2.gz YJILDEPDPLZTII-JXVAYASWSA-N 0 1 369.328 0.543 20 5 FCBDMN CCc1ncncc1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961551724 1214225015 /nfs/dbraw/zinc/22/50/15/1214225015.db2.gz SPJFWXJYOMHILX-NWJSVONSSA-N 0 1 359.386 0.235 20 5 FCBDMN O=C(c1ncoc1C1CC1)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961554468 1214226452 /nfs/dbraw/zinc/22/64/52/1214226452.db2.gz QKUBXGFSVMVMNN-YVECIDJPSA-N 0 1 360.370 0.748 20 5 FCBDMN COCc1nc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)co1 ZINC001019368938 1214233469 /nfs/dbraw/zinc/23/34/69/1214233469.db2.gz FZYVMSSENHLDJQ-ZYHUDNBSSA-N 0 1 364.358 0.161 20 5 FCBDMN Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000963946072 1214878109 /nfs/dbraw/zinc/87/81/09/1214878109.db2.gz VMAQSCFRVYJCEG-RGCMKSIDSA-N 0 1 363.418 0.799 20 5 FCBDMN Cc1c(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1C ZINC000963963957 1214879795 /nfs/dbraw/zinc/87/97/95/1214879795.db2.gz UMOSGFADXQIXCE-RGCMKSIDSA-N 0 1 363.418 0.799 20 5 FCBDMN O=C(NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc(=O)[nH]c1 ZINC000963966405 1214880296 /nfs/dbraw/zinc/88/02/96/1214880296.db2.gz FQOAXCPGPYLZKY-FMKGYKFTSA-N 0 1 362.386 0.857 20 5 FCBDMN CCn1cnc(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000963968965 1214880768 /nfs/dbraw/zinc/88/07/68/1214880768.db2.gz YMMPEWDGSHHPPC-RGCMKSIDSA-N 0 1 363.418 0.973 20 5 FCBDMN O=C(C(F)=C1CCCC1)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965375607 1215050884 /nfs/dbraw/zinc/05/08/84/1215050884.db2.gz LTXJRTZXUAXPQJ-CHWSQXEVSA-N 0 1 367.377 0.889 20 5 FCBDMN O=C(NCc1ccc2c(c1)CN(C(=O)c1ncccn1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000965867526 1215138105 /nfs/dbraw/zinc/13/81/05/1215138105.db2.gz BYYGLSLWXLGZMU-HUUCEWRRSA-N 0 1 367.365 0.914 20 5 FCBDMN Cn1cnc(C(=O)N2Cc3ccc(CNC(=O)[C@@H]4CC4[N+](=O)[O-])cc3C2)c1 ZINC000965869124 1215138810 /nfs/dbraw/zinc/13/88/10/1215138810.db2.gz RPPLVLUWSLCXGA-GDBMZVCRSA-N 0 1 369.381 0.858 20 5 FCBDMN Cc1cc(C(=O)N2CC(N3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)C2)co1 ZINC000967217038 1215213287 /nfs/dbraw/zinc/21/32/87/1215213287.db2.gz XYRRNEBYKJRAHQ-HUUCEWRRSA-N 0 1 362.386 0.222 20 5 FCBDMN Cn1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3CC2)n1 ZINC000967348537 1215232220 /nfs/dbraw/zinc/23/22/20/1215232220.db2.gz CJFDAOCTAAKDIS-QVHKTLOISA-N 0 1 361.402 0.396 20 5 FCBDMN Cc1nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)c[nH]1 ZINC000967348769 1215232447 /nfs/dbraw/zinc/23/24/47/1215232447.db2.gz KPYMWLGEBAZNRO-QVHKTLOISA-N 0 1 361.402 0.694 20 5 FCBDMN O=C(Cc1cnc[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967349212 1215232705 /nfs/dbraw/zinc/23/27/05/1215232705.db2.gz NMGMTWGMZWJBKV-AYRXBEOTSA-N 0 1 361.402 0.314 20 5 FCBDMN O=C(C=C1CCC1)N1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000967686719 1215254780 /nfs/dbraw/zinc/25/47/80/1215254780.db2.gz BVTVILGCSBHTEA-HUUCEWRRSA-N 0 1 363.414 0.982 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc(N(C)C)cn2)C1 ZINC000967947467 1215265527 /nfs/dbraw/zinc/26/55/27/1215265527.db2.gz XNMXDTFWWCCRCE-UKRRQHHQSA-N 0 1 361.402 0.486 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000967949267 1215266261 /nfs/dbraw/zinc/26/62/61/1215266261.db2.gz IRRXPGGRLSWUGW-ZYHUDNBSSA-N 0 1 371.344 0.925 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000967951286 1215266484 /nfs/dbraw/zinc/26/64/84/1215266484.db2.gz QXYNCUHKKDOOTR-TZMCWYRMSA-N 0 1 363.418 0.882 20 5 FCBDMN CCc1c[nH]c(=O)c(C(=O)N2CC(N(CC)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000967951459 1215266919 /nfs/dbraw/zinc/26/69/19/1215266919.db2.gz XJQKMYCXLSFLBY-TZMCWYRMSA-N 0 1 362.386 0.688 20 5 FCBDMN CCN(C(=O)c1ccc(C)nc1OC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967976607 1215267974 /nfs/dbraw/zinc/26/79/74/1215267974.db2.gz WSEPERUDQZGVKN-ZIAGYGMSSA-N 0 1 362.386 0.737 20 5 FCBDMN CCN(C(=O)c1cc2n(n1)CCCC2)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968071023 1215280164 /nfs/dbraw/zinc/28/01/64/1215280164.db2.gz KVWLUHHJZNFPCS-UKRRQHHQSA-N 0 1 361.402 0.558 20 5 FCBDMN CCN(C(=O)c1cnc2ccc(C)cn12)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968139735 1215291091 /nfs/dbraw/zinc/29/10/91/1215291091.db2.gz IGHVXJQXLJHIJE-ZIAGYGMSSA-N 0 1 371.397 0.981 20 5 FCBDMN CCN(C(=O)c1c(C)c(C)n[nH]c1=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000968200879 1215297456 /nfs/dbraw/zinc/29/74/56/1215297456.db2.gz VOZKJVQKEOBTRF-VXGBXAGGSA-N 0 1 363.374 0.137 20 5 FCBDMN Cn1c(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CC1 ZINC001000669214 1216100439 /nfs/dbraw/zinc/10/04/39/1216100439.db2.gz GXASRZKOOIMMQY-ZIAGYGMSSA-N 0 1 360.418 0.606 20 5 FCBDMN Cn1c(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CC1 ZINC001001395390 1216186805 /nfs/dbraw/zinc/18/68/05/1216186805.db2.gz KVTPWYSPEAZZAY-ZIAGYGMSSA-N 0 1 362.434 0.686 20 5 FCBDMN Cc1cc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001057546015 1216352801 /nfs/dbraw/zinc/35/28/01/1216352801.db2.gz ZSDZGLGAGGOMKU-HUUCEWRRSA-N 0 1 363.414 0.828 20 5 FCBDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1coc(C2CCC2)n1 ZINC001057545181 1216352891 /nfs/dbraw/zinc/35/28/91/1216352891.db2.gz WDELIBSVLFTHMB-DGCLKSJQSA-N 0 1 366.374 0.158 20 5 FCBDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccccc2[nH]1 ZINC001057545620 1216353126 /nfs/dbraw/zinc/35/31/26/1216353126.db2.gz HOZUWYZOURRXEP-IUODEOHRSA-N 0 1 360.370 0.384 20 5 FCBDMN O=C(CCc1ccccc1F)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057547018 1216354229 /nfs/dbraw/zinc/35/42/29/1216354229.db2.gz NNLDDFBCVZGDCA-UKRRQHHQSA-N 0 1 367.377 0.361 20 5 FCBDMN O=C(NCc1cccc2c1CCN(Cc1cnon1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051291364 1216424981 /nfs/dbraw/zinc/42/49/81/1216424981.db2.gz QGRIYXHGYBEWLO-HZPDHXFCSA-N 0 1 357.370 0.909 20 5 FCBDMN CCCc1nc(C)c(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001058161125 1216638198 /nfs/dbraw/zinc/63/81/98/1216638198.db2.gz ZSJWXPMUOXQGBQ-VXGBXAGGSA-N 0 1 368.390 0.151 20 5 FCBDMN O=C(NCCN(CCO)C(=O)C1(C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001058263365 1216660902 /nfs/dbraw/zinc/66/09/02/1216660902.db2.gz HYBMDUDEIPCNBI-HUUCEWRRSA-N 0 1 367.446 0.949 20 5 FCBDMN CC(C)CC1(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO3)CC1 ZINC001068395172 1216729784 /nfs/dbraw/zinc/72/97/84/1216729784.db2.gz RCPIPBDYAZIFJR-ZIAGYGMSSA-N 0 1 365.430 0.918 20 5 FCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCn2ccnn2)CC1 ZINC001069330328 1216783825 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ZINC001590968746 1284026140 /nfs/dbraw/zinc/02/61/40/1284026140.db2.gz MVACAGVQBMHEQO-UHFFFAOYSA-N 0 1 367.329 0.750 20 5 FCBDMN CN(C1(CO)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591038314 1284097997 /nfs/dbraw/zinc/09/79/97/1284097997.db2.gz SGIAFQCXDPWCGG-UHFFFAOYSA-N 0 1 368.375 0.310 20 5 FCBDMN COC(=O)c1ccccc1OCCn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001591304413 1284454017 /nfs/dbraw/zinc/45/40/17/1284454017.db2.gz VFYOQNZAEIVQOJ-UHFFFAOYSA-N 0 1 359.302 0.837 20 5 FCBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001591950608 1285018669 /nfs/dbraw/zinc/01/86/69/1285018669.db2.gz GUFXNLWMFJWFCG-UHFFFAOYSA-N 0 1 372.349 0.805 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)N1CCCc2ccccc21 ZINC001592937466 1285825550 /nfs/dbraw/zinc/82/55/50/1285825550.db2.gz CRMDGIIPBULFHL-UHFFFAOYSA-N 0 1 354.330 0.951 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NC[C@@H]1Cc2ccccc2O1 ZINC001592937450 1285826163 /nfs/dbraw/zinc/82/61/63/1285826163.db2.gz BPHLLDRWRPDWAC-JTQLQIEISA-N 0 1 370.329 0.091 20 5 FCBDMN O=C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC001593391420 1286111561 /nfs/dbraw/zinc/11/15/61/1286111561.db2.gz WMOLIEUQPUINNZ-UHFFFAOYSA-N 0 1 366.359 0.565 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH2+]CC2)c1-c1nn[n-]n1 ZINC001593486055 1286174737 /nfs/dbraw/zinc/17/47/37/1286174737.db2.gz ZZKOSIBDJZKZRU-UHFFFAOYSA-N 0 1 367.391 0.053 20 5 FCBDMN C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609289944 1289057399 /nfs/dbraw/zinc/05/73/99/1289057399.db2.gz XSHRIUCBHVTSLD-VIFPVBQESA-N 0 1 367.391 0.147 20 5 FCBDMN Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600030275 1286431870 /nfs/dbraw/zinc/43/18/70/1286431870.db2.gz BZCYPLXDVZXSCB-QJPTWQEYSA-N 0 1 351.359 0.998 20 5 FCBDMN Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600030275 1286431872 /nfs/dbraw/zinc/43/18/72/1286431872.db2.gz BZCYPLXDVZXSCB-QJPTWQEYSA-N 0 1 351.359 0.998 20 5 FCBDMN O=C([O-])[C@@H](O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001601683174 1286807639 /nfs/dbraw/zinc/80/76/39/1286807639.db2.gz NHHMTCIWRZTNFZ-INIZCTEOSA-N 0 1 363.370 0.641 20 5 FCBDMN O=C([O-])CNC(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001602073164 1286927822 /nfs/dbraw/zinc/92/78/22/1286927822.db2.gz YEASUTHQZYJUQB-UHFFFAOYSA-N 0 1 374.357 0.459 20 5 FCBDMN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001602625330 1287038397 /nfs/dbraw/zinc/03/83/97/1287038397.db2.gz BABGNRRSCFXRGK-MRXNPFEDSA-N 0 1 367.333 0.735 20 5 FCBDMN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC001609376334 1289128146 /nfs/dbraw/zinc/12/81/46/1289128146.db2.gz NIOCMSSXILKKSL-TXEJJXNPSA-N 0 1 361.406 0.662 20 5 FCBDMN CC(=CC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001602899597 1287153075 /nfs/dbraw/zinc/15/30/75/1287153075.db2.gz FNKWYYURBGOMTA-NTMALXAHSA-N 0 1 369.345 0.586 20 5 FCBDMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)OCCC[N+](=O)[O-])CC2)o1 ZINC001606019908 1288130979 /nfs/dbraw/zinc/13/09/79/1288130979.db2.gz OUXVOPQGSVSRJY-UHFFFAOYSA-N 0 1 365.350 0.590 20 5 FCBDMN C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001606222189 1288215253 /nfs/dbraw/zinc/21/52/53/1288215253.db2.gz VXBOHBYIQPZRER-SNVBAGLBSA-N 0 1 357.388 0.913 20 5 FCBDMN C[N@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])C1 ZINC001606234237 1288223287 /nfs/dbraw/zinc/22/32/87/1288223287.db2.gz HAIQXDHNYXHIEV-CYBMUJFWSA-N 0 1 350.375 0.795 20 5 FCBDMN Cn1ncc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc([N+](=O)[O-])ccc32)n1 ZINC001606275975 1288248093 /nfs/dbraw/zinc/24/80/93/1288248093.db2.gz ATAPCKBRZIIAMF-UHFFFAOYSA-N 0 1 353.302 0.267 20 5 FCBDMN COC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001606427053 1288308801 /nfs/dbraw/zinc/30/88/01/1288308801.db2.gz VGAIJAYRFDMLGT-CYBMUJFWSA-N 0 1 351.359 0.830 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001607077081 1288650697 /nfs/dbraw/zinc/65/06/97/1288650697.db2.gz KEFBISFYBGUVRN-RYUDHWBXSA-N 0 1 360.378 0.205 20 5 FCBDMN O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001607077081 1288650699 /nfs/dbraw/zinc/65/06/99/1288650699.db2.gz KEFBISFYBGUVRN-RYUDHWBXSA-N 0 1 360.378 0.205 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001607077081 1288650704 /nfs/dbraw/zinc/65/07/04/1288650704.db2.gz KEFBISFYBGUVRN-RYUDHWBXSA-N 0 1 360.378 0.205 20 5 FCBDMN O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001607077081 1288650708 /nfs/dbraw/zinc/65/07/08/1288650708.db2.gz KEFBISFYBGUVRN-RYUDHWBXSA-N 0 1 360.378 0.205 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001607191946 1288681877 /nfs/dbraw/zinc/68/18/77/1288681877.db2.gz SSRTWTIEKLHYOQ-JQWIXIFHSA-N 0 1 353.331 0.452 20 5 FCBDMN C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001609070119 1288899932 /nfs/dbraw/zinc/89/99/32/1288899932.db2.gz ITUCOIBWXQTSGP-VIFPVBQESA-N 0 1 373.333 0.123 20 5 FCBDMN C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001609072224 1288904657 /nfs/dbraw/zinc/90/46/57/1288904657.db2.gz HVJVBIGMFVUMFX-SSDOTTSWSA-N 0 1 362.281 0.810 20 5 FCBDMN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609603627 1289257650 /nfs/dbraw/zinc/25/76/50/1289257650.db2.gz SCUBDKJLIQNOLZ-UHFFFAOYSA-N 0 1 350.316 0.846 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CC(O)C2)c1-c1nn[nH]n1 ZINC001609602934 1289257759 /nfs/dbraw/zinc/25/77/59/1289257759.db2.gz PTHKJCLWCLMEFS-UHFFFAOYSA-N 0 1 368.375 0.214 20 5 FCBDMN C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])C1 ZINC001610138092 1289392870 /nfs/dbraw/zinc/39/28/70/1289392870.db2.gz QBEOVZVESQIUPM-ZDUSSCGKSA-N 0 1 371.415 0.415 20 5 FCBDMN C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610138209 1289393128 /nfs/dbraw/zinc/39/31/28/1289393128.db2.gz REZWOVBFCVHEHV-VIFPVBQESA-N 0 1 361.351 0.371 20 5 FCBDMN C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610138209 1289393136 /nfs/dbraw/zinc/39/31/36/1289393136.db2.gz REZWOVBFCVHEHV-VIFPVBQESA-N 0 1 361.351 0.371 20 5 FCBDMN COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610167654 1289406512 /nfs/dbraw/zinc/40/65/12/1289406512.db2.gz RAKQQWWPFCKGJY-VXGBXAGGSA-N 0 1 368.342 0.414 20 5 FCBDMN COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610167654 1289406513 /nfs/dbraw/zinc/40/65/13/1289406513.db2.gz RAKQQWWPFCKGJY-VXGBXAGGSA-N 0 1 368.342 0.414 20 5 FCBDMN CN(Cc1ccsc1)C(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001692304234 1289446459 /nfs/dbraw/zinc/44/64/59/1289446459.db2.gz GWLKSTYUPHDZPH-ZIAGYGMSSA-N 0 1 366.443 0.420 20 5 FCBDMN COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001610332964 1289460996 /nfs/dbraw/zinc/46/09/96/1289460996.db2.gz OIQLHEJBNOHMLF-LBPRGKRZSA-N 0 1 366.374 0.761 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC001699003052 1289543033 /nfs/dbraw/zinc/54/30/33/1289543033.db2.gz USQJWFNYHKSPQQ-CHWSQXEVSA-N 0 1 354.432 0.420 20 5 FCBDMN Cn1cc(-c2cc(CNC/C=C\CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 ZINC001699256143 1289547740 /nfs/dbraw/zinc/54/77/40/1289547740.db2.gz ZXARCNLRIFTRGT-KXAWDHGWSA-N 0 1 360.374 0.502 20 5 FCBDMN CC(C)Oc1cccc(CN2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001699913358 1289578675 /nfs/dbraw/zinc/57/86/75/1289578675.db2.gz UKSHAMBVIBRICN-HZPDHXFCSA-N 0 1 363.414 0.802 20 5 FCBDMN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC001610817451 1289600889 /nfs/dbraw/zinc/60/08/89/1289600889.db2.gz OSHURTBXYLWGRY-UHFFFAOYSA-N 0 1 354.319 0.706 20 5 FCBDMN CCc1nc(C(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c(C)o1 ZINC001688493506 1294500628 /nfs/dbraw/zinc/50/06/28/1294500628.db2.gz YRPAHHYILNBPMT-VXGBXAGGSA-N 0 1 350.375 0.931 20 5 FCBDMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cccc2ncnn21 ZINC001688493150 1294500645 /nfs/dbraw/zinc/50/06/45/1294500645.db2.gz MKCKJJCHLLAUKJ-DGCLKSJQSA-N 0 1 358.358 0.115 20 5 FCBDMN O=C(COc1ccc(Cl)cc1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688683621 1294519414 /nfs/dbraw/zinc/51/94/14/1294519414.db2.gz QJPIUDQLTFXODA-ZIAGYGMSSA-N 0 1 367.789 0.959 20 5 FCBDMN Cc1nc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccn12 ZINC001689326016 1294752812 /nfs/dbraw/zinc/75/28/12/1294752812.db2.gz JEXMJEKTQBTMMH-VPOWOMEUSA-N 0 1 357.370 0.710 20 5 FCBDMN Cc1ccccc1CN(C)C(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690939801 1294894222 /nfs/dbraw/zinc/89/42/22/1294894222.db2.gz KIHMHDKYUXRTIJ-HZPDHXFCSA-N 0 1 362.430 0.667 20 5 FCBDMN Nc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] 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COc1ccc(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001080966421 1256117646 /nfs/dbraw/zinc/11/76/46/1256117646.db2.gz AUDVWRWNFFXPEZ-GHMZBOCLSA-N 0 1 367.358 0.037 20 5 FCBDMN COC(=O)c1n[nH]c(C(=O)OC)c1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001234190274 1259557062 /nfs/dbraw/zinc/55/70/62/1259557062.db2.gz RMJATPJXTYBQFV-SSDOTTSWSA-N 0 1 367.318 0.864 20 5 FCBDMN COC1CCN(C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319376299 1263687282 /nfs/dbraw/zinc/68/72/82/1263687282.db2.gz VGBKGAIDTLMJFF-UHFFFAOYSA-N 0 1 366.418 0.762 20 5 FCBDMN O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[C@H](N2CC=CC2)C1 ZINC001325722154 1264978318 /nfs/dbraw/zinc/97/83/18/1264978318.db2.gz MNZZKGMBTMNRPM-KRWDZBQOSA-N 0 1 370.409 0.952 20 5 FCBDMN Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001335229447 1267413303 /nfs/dbraw/zinc/41/33/03/1267413303.db2.gz HUYLAMKQKSHUJD-DGCLKSJQSA-N 0 1 350.375 0.185 20 5 FCBDMN CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1c[nH]nn1 ZINC001576277659 1273081303 /nfs/dbraw/zinc/08/13/03/1273081303.db2.gz SJOHKFFWKYBGOJ-JTQLQIEISA-N 0 1 353.360 0.998 20 5 FCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCc1c[nH]nn1 ZINC001577348082 1274360960 /nfs/dbraw/zinc/36/09/60/1274360960.db2.gz LBVBQMLUOTUVNI-FOLVSLTJSA-N 0 1 371.401 0.990 20 5 FCBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCc1cnn[nH]1 ZINC001577348082 1274360969 /nfs/dbraw/zinc/36/09/69/1274360969.db2.gz LBVBQMLUOTUVNI-FOLVSLTJSA-N 0 1 371.401 0.990 20 5 FCBDMN CCOC(=O)c1cnn(Cc2cc(O)ccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC001578254601 1275554988 /nfs/dbraw/zinc/55/49/88/1275554988.db2.gz XUPBQHJQYALQMJ-UHFFFAOYSA-N 0 1 359.302 0.902 20 5 FCBDMN CN(Cc1ncc[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001579266194 1277063387 /nfs/dbraw/zinc/06/33/87/1277063387.db2.gz WOHMKZSTBPDCOG-UHFFFAOYSA-N 0 1 364.347 0.319 20 5 FCBDMN C[C@H]1CSC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001603946408 1287543116 /nfs/dbraw/zinc/54/31/16/1287543116.db2.gz CVSCAXWPTPMBMX-JGVFFNPUSA-N 0 1 370.416 0.805 20 5 FCBDMN CC[C@@H](CO)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604041048 1287559578 /nfs/dbraw/zinc/55/95/78/1287559578.db2.gz WMFZRUIPFUGHQM-AWEZNQCLSA-N 0 1 361.406 0.663 20 5 FCBDMN C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001589915193 1283124229 /nfs/dbraw/zinc/12/42/29/1283124229.db2.gz ZMAHOBWQKMLOTB-DTWKUNHWSA-N 0 1 367.391 0.133 20 5 FCBDMN C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001589915127 1283124960 /nfs/dbraw/zinc/12/49/60/1283124960.db2.gz ZMAHOBWQKMLOTB-BDAKNGLRSA-N 0 1 367.391 0.133 20 5 FCBDMN CN(C)C(=O)CCN1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001591002588 1284061393 /nfs/dbraw/zinc/06/13/93/1284061393.db2.gz YNOPPHUIAREIHX-UHFFFAOYSA-N 0 1 374.405 0.375 20 5 FCBDMN CN(C)C(=O)OCCn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001591004809 1284068092 /nfs/dbraw/zinc/06/80/92/1284068092.db2.gz SUQHTVWCNRQBLV-UHFFFAOYSA-N 0 1 373.329 0.788 20 5 FCBDMN CN1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1CO ZINC001591193883 1284312836 /nfs/dbraw/zinc/31/28/36/1284312836.db2.gz KIMJSGNZOAALGQ-NSHDSACASA-N 0 1 370.373 0.436 20 5 FCBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc(-c2nn[nH]n2)ccc1=O ZINC001591554551 1284730296 /nfs/dbraw/zinc/73/02/96/1284730296.db2.gz CYCXKJHYXZVAMK-UHFFFAOYSA-N 0 1 371.313 0.584 20 5 FCBDMN Cc1c(CNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cccc1[N+](=O)[O-] ZINC001591819537 1284927266 /nfs/dbraw/zinc/92/72/66/1284927266.db2.gz XXHVYXOHJRGJDC-SECBINFHSA-N 0 1 357.334 0.552 20 5 FCBDMN Cc1c(COC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cccc1[N+](=O)[O-] ZINC001591819364 1284927450 /nfs/dbraw/zinc/92/74/50/1284927450.db2.gz ZUGDBLLEQBRBRM-SECBINFHSA-N 0 1 358.318 0.979 20 5 FCBDMN Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007897 1285055972 /nfs/dbraw/zinc/05/59/72/1285055972.db2.gz STFFTSPXWMMPBW-UHFFFAOYSA-N 0 1 361.406 0.976 20 5 FCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001604788983 1287781408 /nfs/dbraw/zinc/78/14/08/1287781408.db2.gz SWEYZTJRMWFJED-XHDPSFHLSA-N 0 1 351.359 0.636 20 5 FCBDMN Nc1c([N+](=O)[O-])ccc(N2CCC(N3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC001592757414 1285679213 /nfs/dbraw/zinc/67/92/13/1285679213.db2.gz RACBKWBEVYFDQL-UHFFFAOYSA-N 0 1 374.405 0.658 20 5 FCBDMN Nc1c([N+](=O)[O-])ccc(N2CCN(C[C@@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC001592758608 1285679477 /nfs/dbraw/zinc/67/94/77/1285679477.db2.gz YESCLQYBOVMWKU-NSHDSACASA-N 0 1 374.405 0.658 20 5 FCBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001592940114 1285830864 /nfs/dbraw/zinc/83/08/64/1285830864.db2.gz PMLFKOKVMGPDIO-UHFFFAOYSA-N 0 1 369.345 0.736 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001593485554 1286173610 /nfs/dbraw/zinc/17/36/10/1286173610.db2.gz RBJHUHBEDUHRHE-RKDXNWHRSA-N 0 1 368.375 0.214 20 5 FCBDMN O=[N+]([O-])c1cnc(N2CCC[C@H](CN3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC001593485777 1286173943 /nfs/dbraw/zinc/17/39/43/1286173943.db2.gz GCZRQZYEQUSNRN-GFCCVEGCSA-N 0 1 374.405 0.719 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2CCC2)c1-c1nn[nH]n1 ZINC001593483686 1286174816 /nfs/dbraw/zinc/17/48/16/1286174816.db2.gz CCYAAWDPSATENM-UHFFFAOYSA-N 0 1 368.375 0.310 20 5 FCBDMN Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c(C)cc1[N+](=O)[O-] ZINC001600293105 1286469284 /nfs/dbraw/zinc/46/92/84/1286469284.db2.gz CVBPWBIPEKBEQV-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c(C)cc1[N+](=O)[O-] ZINC001600293105 1286469287 /nfs/dbraw/zinc/46/92/87/1286469287.db2.gz CVBPWBIPEKBEQV-LBPRGKRZSA-N 0 1 371.415 0.849 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001600304806 1286475389 /nfs/dbraw/zinc/47/53/89/1286475389.db2.gz MZVMGXHUOKNCFP-CQSZACIVSA-N 0 1 350.375 0.980 20 5 FCBDMN Cn1nccc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001601034827 1286614309 /nfs/dbraw/zinc/61/43/09/1286614309.db2.gz WRUBHOGFVUPYEF-CYBMUJFWSA-N 0 1 368.371 0.518 20 5 FCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001601773388 1286832614 /nfs/dbraw/zinc/83/26/14/1286832614.db2.gz SBDLXSXSHNJDJA-ZYHUDNBSSA-N 0 1 351.315 0.413 20 5 FCBDMN O=C([O-])CNC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC001602074939 1286929300 /nfs/dbraw/zinc/92/93/00/1286929300.db2.gz YCKSEVFWVVAGHN-UHFFFAOYSA-N 0 1 366.374 0.543 20 5 FCBDMN C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H](C(=O)[O-])C1 ZINC001606235856 1288224421 /nfs/dbraw/zinc/22/44/21/1288224421.db2.gz OVJIXMPYIWRZAG-NSHDSACASA-N 0 1 374.357 0.264 20 5 FCBDMN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C(=O)[O-] ZINC001606430363 1288311954 /nfs/dbraw/zinc/31/19/54/1288311954.db2.gz OIBBQDPBRSBNGV-NWDGAFQWSA-N 0 1 365.342 0.647 20 5 FCBDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C(=O)[O-] ZINC001606430363 1288311962 /nfs/dbraw/zinc/31/19/62/1288311962.db2.gz OIBBQDPBRSBNGV-NWDGAFQWSA-N 0 1 365.342 0.647 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3C[C@H]3C2)c1-c1nn[nH]n1 ZINC001607084458 1288651638 /nfs/dbraw/zinc/65/16/38/1288651638.db2.gz HRAICOAKFLURNI-IUCAKERBSA-N 0 1 350.360 0.805 20 5 FCBDMN O=[N+]([O-])c1ccc(NC(=S)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001607082939 1288652159 /nfs/dbraw/zinc/65/21/59/1288652159.db2.gz XQHNDEYWOKXYBY-UHFFFAOYSA-N 0 1 360.363 0.353 20 5 FCBDMN C[C@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)(C)O ZINC001609117126 1288928684 /nfs/dbraw/zinc/92/86/84/1288928684.db2.gz JVSNRSBGGWNCTH-QMMMGPOBSA-N 0 1 370.391 0.555 20 5 FCBDMN C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001609120306 1288931878 /nfs/dbraw/zinc/93/18/78/1288931878.db2.gz DRJRTMHXUBNCHI-SECBINFHSA-N 0 1 372.349 0.427 20 5 FCBDMN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@@H+]1CCO ZINC001609147119 1288948542 /nfs/dbraw/zinc/94/85/42/1288948542.db2.gz LKXSWXUDBVUXOQ-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[N@H+]1CCO ZINC001609147119 1288948549 /nfs/dbraw/zinc/94/85/49/1288948549.db2.gz LKXSWXUDBVUXOQ-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@@H+]1CCO ZINC001609147119 1288948554 /nfs/dbraw/zinc/94/85/54/1288948554.db2.gz LKXSWXUDBVUXOQ-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[N@H+]1CCO ZINC001609147119 1288948557 /nfs/dbraw/zinc/94/85/57/1288948557.db2.gz LKXSWXUDBVUXOQ-UHFFFAOYSA-N 0 1 362.394 0.250 20 5 FCBDMN O=c1c(-c2nn[nH]n2)cn(Cc2ncccn2)c2ccc([N+](=O)[O-])cc12 ZINC001609603793 1289258171 /nfs/dbraw/zinc/25/81/71/1289258171.db2.gz DMPXWJVJCIGENG-UHFFFAOYSA-N 0 1 350.298 0.928 20 5 FCBDMN C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610138208 1289392450 /nfs/dbraw/zinc/39/24/50/1289392450.db2.gz REZWOVBFCVHEHV-SECBINFHSA-N 0 1 361.351 0.371 20 5 FCBDMN C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610138208 1289392457 /nfs/dbraw/zinc/39/24/57/1289392457.db2.gz REZWOVBFCVHEHV-SECBINFHSA-N 0 1 361.351 0.371 20 5 FCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001610515228 1289499561 /nfs/dbraw/zinc/49/95/61/1289499561.db2.gz ZOMBKEFALKFVBK-NSHDSACASA-N 0 1 364.358 0.317 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCc2ccccc21 ZINC001699003038 1289543510 /nfs/dbraw/zinc/54/35/10/1289543510.db2.gz ULXFOZAOIUNFKX-GDBMZVCRSA-N 0 1 360.414 0.631 20 5 FCBDMN CC(C)(C)c1cnc(CNCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001754882952 1290637087 /nfs/dbraw/zinc/63/70/87/1290637087.db2.gz YUVWOBZDUICPDF-VXGBXAGGSA-N 0 1 354.407 0.548 20 5 FCBDMN Cc1cn2cc(C(=O)N(C)CCNC(=O)[C@@H]3CC3[N+](=O)[O-])sc2n1 ZINC001688325409 1294479549 /nfs/dbraw/zinc/47/95/49/1294479549.db2.gz ANFHYGPDWNGJFN-NXEZZACHSA-N 0 1 351.388 0.558 20 5 FCBDMN CN(CCN1CCN(C(=O)C2(C)CCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688553999 1294507765 /nfs/dbraw/zinc/50/77/65/1294507765.db2.gz JEAJGGMGMPULEV-ZIAGYGMSSA-N 0 1 352.435 0.444 20 5 FCBDMN Cc1ccnn1CC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688579658 1294510791 /nfs/dbraw/zinc/51/07/91/1294510791.db2.gz VXGFILQJIPZWIE-HUUCEWRRSA-N 0 1 363.418 0.554 20 5 FCBDMN Cc1cc(C)n(CCCC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001689081109 1294601087 /nfs/dbraw/zinc/60/10/87/1294601087.db2.gz VEQQZFUBQFIZNN-HUUCEWRRSA-N 0 1 365.434 0.862 20 5 FCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(-c2ccccc2)n1 ZINC001689326472 1294751398 /nfs/dbraw/zinc/75/13/98/1294751398.db2.gz RPYULOPAWZVBAY-BCBDKAHJSA-N 0 1 370.369 0.335 20 5 FCBDMN COc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC001689326258 1294751899 /nfs/dbraw/zinc/75/18/99/1294751899.db2.gz NNHBFGRDLXSBIZ-CDJBXZAQSA-N 0 1 363.370 0.771 20 5 FCBDMN Cc1nc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccn12 ZINC001689326017 1294752337 /nfs/dbraw/zinc/75/23/37/1294752337.db2.gz JEXMJEKTQBTMMH-YTRGCGJWSA-N 0 1 357.370 0.710 20 5 FCBDMN CN(C)Cc1ccsc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001689326616 1294752785 /nfs/dbraw/zinc/75/27/85/1294752785.db2.gz VPIUINJEADYVAU-CDJBXZAQSA-N 0 1 366.443 0.877 20 5 FCBDMN CCOc1nc(C)ccc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001689582626 1294797728 /nfs/dbraw/zinc/79/77/28/1294797728.db2.gz CHJCOLHPDQGGNE-CHWSQXEVSA-N 0 1 362.386 0.833 20 5 FCBDMN COc1ccc(CCC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001689601369 1294808796 /nfs/dbraw/zinc/80/87/96/1294808796.db2.gz WEGPGWYAGDMMQW-CHWSQXEVSA-N 0 1 362.386 0.453 20 5 FCBDMN CCc1ccc(OCC(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001689671395 1294821753 /nfs/dbraw/zinc/82/17/53/1294821753.db2.gz MRDCPQQOIWIUKW-HZPDHXFCSA-N 0 1 361.398 0.962 20 5 FCBDMN Nc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745270 720753214 /nfs/dbraw/zinc/75/32/14/720753214.db2.gz ULPKAYHEYNFNAZ-STQMWFEESA-N 0 1 357.374 0.704 20 5 FCBDMN Cc1cc(=O)c(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c[nH]1 ZINC001067388387 837455557 /nfs/dbraw/zinc/45/55/57/837455557.db2.gz BUWXLCFBEQRSHK-DGCLKSJQSA-N 0 1 350.375 0.269 20 5 FCBDMN Cc1cc(=O)[nH]cc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389551 837455999 /nfs/dbraw/zinc/45/59/99/837455999.db2.gz DDKLBXKMSYKVLF-DGCLKSJQSA-N 0 1 350.375 0.681 20 5 FCBDMN CCCc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001067391989 837456719 /nfs/dbraw/zinc/45/67/19/837456719.db2.gz UXZUKSRYJFVEDG-TZMCWYRMSA-N 0 1 351.407 0.948 20 5 FCBDMN CCCc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC001067391989 837456728 /nfs/dbraw/zinc/45/67/28/837456728.db2.gz 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0 1 362.386 0.914 20 5 FCBDMN CC(=O)N1CCC(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CC1 ZINC001063007029 1254291918 /nfs/dbraw/zinc/29/19/18/1254291918.db2.gz NLLNAJIOOPYTGO-ZIAGYGMSSA-N 0 1 366.418 0.065 20 5 FCBDMN O=C(Cn1ccc(C(F)F)n1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063276140 1254326230 /nfs/dbraw/zinc/32/62/30/1254326230.db2.gz WTSIWNHGIAMBQX-MWLCHTKSSA-N 0 1 371.344 0.641 20 5 FCBDMN CC(C)(C)n1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nn1 ZINC001063395209 1254335723 /nfs/dbraw/zinc/33/57/23/1254335723.db2.gz YZQDQBCENOHJLX-ZYHUDNBSSA-N 0 1 364.406 0.467 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cnc2ccccn21 ZINC001063534458 1254358483 /nfs/dbraw/zinc/35/84/83/1254358483.db2.gz ZSCZDVDNAYCZTJ-VXGBXAGGSA-N 0 1 357.370 0.768 20 5 FCBDMN Cc1cnc(COCC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)o1 ZINC001063804098 1254385940 /nfs/dbraw/zinc/38/59/40/1254385940.db2.gz ZPKJYTXXYGQHCO-VXGBXAGGSA-N 0 1 366.374 0.320 20 5 FCBDMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)c1cncnc1C1CC1 ZINC001063981794 1254410356 /nfs/dbraw/zinc/41/03/56/1254410356.db2.gz MCCXCIYPESNYGI-DGCLKSJQSA-N 0 1 359.386 0.788 20 5 FCBDMN CCc1c(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nnn1CC ZINC001064538094 1254425558 /nfs/dbraw/zinc/42/55/58/1254425558.db2.gz YBQYNXNIESOJJV-ZYHUDNBSSA-N 0 1 364.406 0.294 20 5 FCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COCc2ncc(C)o2)C1 ZINC001079743729 1255590020 /nfs/dbraw/zinc/59/00/20/1255590020.db2.gz CPRAXFGJYQYQTD-CHWSQXEVSA-N 0 1 366.374 0.224 20 5 FCBDMN CCN(C(=O)CNC(=O)CCC(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080100336 1255742963 /nfs/dbraw/zinc/74/29/63/1255742963.db2.gz WJVCZWYMTHAGFC-ZIAGYGMSSA-N 0 1 368.434 0.263 20 5 FCBDMN CCN(C(=O)C1(C2CC2)CCOCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080134576 1255756246 /nfs/dbraw/zinc/75/62/46/1255756246.db2.gz SOGXFRQXRVFUMP-HUUCEWRRSA-N 0 1 365.430 0.918 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)c2cccc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080855610 1256056184 /nfs/dbraw/zinc/05/61/84/1256056184.db2.gz TVNYROIMPKZBRF-ZIAGYGMSSA-N 0 1 365.361 0.574 20 5 FCBDMN O=C(NC1(CO)CCN(C(=O)c2ccccc2O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080855237 1256056603 /nfs/dbraw/zinc/05/66/03/1256056603.db2.gz CKHOOSDUFKWYHL-CHWSQXEVSA-N 0 1 363.370 0.141 20 5 FCBDMN O=C(/C=C/c1ccco1)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080855380 1256056972 /nfs/dbraw/zinc/05/69/72/1256056972.db2.gz JERQUUVYCVHDJY-LSMGEYOZSA-N 0 1 363.370 0.428 20 5 FCBDMN COc1ccc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001080856891 1256057267 /nfs/dbraw/zinc/05/72/67/1256057267.db2.gz YIHBCCXEQXTWGE-GHMZBOCLSA-N 0 1 367.358 0.037 20 5 FCBDMN Cc1cc(C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)[nH]1 ZINC001080862999 1256063004 /nfs/dbraw/zinc/06/30/04/1256063004.db2.gz USHCRSUVOQEALH-ZIAGYGMSSA-N 0 1 364.402 0.380 20 5 FCBDMN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001261860955 1260199562 /nfs/dbraw/zinc/19/95/62/1260199562.db2.gz KZNSSEXSTPZHMT-NSHDSACASA-N 0 1 354.330 0.923 20 5 FCBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001304091295 1263127742 /nfs/dbraw/zinc/12/77/42/1263127742.db2.gz ULXHZHIIRVTQSA-GFCCVEGCSA-N 0 1 361.358 0.655 20 5 FCBDMN O=C(CCNC(=O)C(F)(F)F)Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001307403139 1263197533 /nfs/dbraw/zinc/19/75/33/1263197533.db2.gz APUXOHNFKJUTFC-UHFFFAOYSA-N 0 1 372.263 0.886 20 5 FCBDMN COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC001321773531 1264057012 /nfs/dbraw/zinc/05/70/12/1264057012.db2.gz PWLNGAMQZUHWRQ-LBPRGKRZSA-N 0 1 362.386 0.573 20 5 FCBDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001324092494 1264574698 /nfs/dbraw/zinc/57/46/98/1264574698.db2.gz RDSGXLKZQNONAW-IUODEOHRSA-N 0 1 360.414 0.852 20 5 FCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC001333121398 1266538006 /nfs/dbraw/zinc/53/80/06/1266538006.db2.gz JNNBHBJDQBLCGG-CYBMUJFWSA-N 0 1 363.418 0.594 20 5 FCBDMN C[C@@H]1CC(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001575940219 1272571304 /nfs/dbraw/zinc/57/13/04/1272571304.db2.gz XLNGFSRVLPKJSE-MRVPVSSYSA-N 0 1 366.359 0.517 20 5 FCBDMN CCCc1[nH]nc(C(=O)N2CCCN(Cc3cn[nH]n3)CC2)c1[N+](=O)[O-] ZINC001576493690 1273350970 /nfs/dbraw/zinc/35/09/70/1273350970.db2.gz HPRDTCMCMJHAQC-UHFFFAOYSA-N 0 1 362.394 0.737 20 5 FCBDMN CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCCc1c[nH]nn1 ZINC001576813720 1273729509 /nfs/dbraw/zinc/72/95/09/1273729509.db2.gz OFEVQGVRYLFGGP-UHFFFAOYSA-N 0 1 363.382 0.368 20 5 FCBDMN CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCCc1cnn[nH]1 ZINC001576813720 1273729515 /nfs/dbraw/zinc/72/95/15/1273729515.db2.gz OFEVQGVRYLFGGP-UHFFFAOYSA-N 0 1 363.382 0.368 20 5 FCBDMN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](C)CC(=O)N1CCNCC1 ZINC001577643590 1274632691 /nfs/dbraw/zinc/63/26/91/1274632691.db2.gz JVYOJJLHBIAEMZ-LBPRGKRZSA-N 0 1 351.407 0.606 20 5 FCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(Cc2c[nH]nn2)CCOCC1 ZINC001577743108 1274820770 /nfs/dbraw/zinc/82/07/70/1274820770.db2.gz QNMXESJJXMVLKW-UHFFFAOYSA-N 0 1 364.337 0.956 20 5 FCBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(Cc2cnn[nH]2)CCOCC1 ZINC001577743108 1274820777 /nfs/dbraw/zinc/82/07/77/1274820777.db2.gz QNMXESJJXMVLKW-UHFFFAOYSA-N 0 1 364.337 0.956 20 5 FCBDMN CCOc1cc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)ccc1[N+](=O)[O-] ZINC001578166063 1275464942 /nfs/dbraw/zinc/46/49/42/1275464942.db2.gz IQBRUZIPLGYMEU-GXTWGEPZSA-N 0 1 355.416 0.564 20 5 FCBDMN CC(C)C1(O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001603241792 1287338322 /nfs/dbraw/zinc/33/83/22/1287338322.db2.gz YWDXZYBVLXQUFR-UHFFFAOYSA-N 0 1 368.375 0.166 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001582660543 1281849906 /nfs/dbraw/zinc/84/99/06/1281849906.db2.gz VYSNSZAJQAYIID-BXKDBHETSA-N 0 1 361.337 0.320 20 5 FCBDMN CC[C@H](CO)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604041049 1287560498 /nfs/dbraw/zinc/56/04/98/1287560498.db2.gz WMFZRUIPFUGHQM-CQSZACIVSA-N 0 1 361.406 0.663 20 5 FCBDMN C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001588996301 1282761243 /nfs/dbraw/zinc/76/12/43/1282761243.db2.gz PVCWHNZTALANRH-VIFPVBQESA-N 0 1 357.334 0.286 20 5 FCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)O1 ZINC001590206004 1283324651 /nfs/dbraw/zinc/32/46/51/1283324651.db2.gz GNWLDQCQDRPARB-IWSPIJDZSA-N 0 1 368.375 0.619 20 5 FCBDMN COCC[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001591398120 1284538315 /nfs/dbraw/zinc/53/83/15/1284538315.db2.gz AGCACSPWAOUPMF-SECBINFHSA-N 0 1 370.391 0.726 20 5 FCBDMN Cc1cccc2c(=O)[nH]c(Cn3cc([N+](=O)[O-])c(-c4nn[nH]n4)n3)nc12 ZINC001592240693 1285196205 /nfs/dbraw/zinc/19/62/05/1285196205.db2.gz BSOICSNWWLOMPK-UHFFFAOYSA-N 0 1 353.302 0.977 20 5 FCBDMN Cc1cnc(COC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c(C)c1[N+](=O)[O-] ZINC001592293835 1285219033 /nfs/dbraw/zinc/21/90/33/1285219033.db2.gz MIGPQNGNWMMQPX-VIFPVBQESA-N 0 1 373.333 0.683 20 5 FCBDMN [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001592740506 1285659216 /nfs/dbraw/zinc/65/92/16/1285659216.db2.gz LBQJFZUEKBGJCE-IUCAKERBSA-N 0 1 367.391 0.323 20 5 FCBDMN O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)Nc1cc(F)ccc1F ZINC001592937438 1285826431 /nfs/dbraw/zinc/82/64/31/1285826431.db2.gz AXSVFOFSHRHDIA-UHFFFAOYSA-N 0 1 350.245 0.888 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CC3)c1-c1nn[nH]n1 ZINC001593484268 1286174269 /nfs/dbraw/zinc/17/42/69/1286174269.db2.gz SDSCFEIFSVZKED-UHFFFAOYSA-N 0 1 366.359 0.328 20 5 FCBDMN Cc1c(C(=O)N2CC[NH+](CC(=O)[O-])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001599976798 1286417077 /nfs/dbraw/zinc/41/70/77/1286417077.db2.gz MHCKTFMHYSKFOF-UHFFFAOYSA-N 0 1 366.330 0.962 20 5 FCBDMN Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600032431 1286432248 /nfs/dbraw/zinc/43/22/48/1286432248.db2.gz URKMXEKIPSMCTR-NWDGAFQWSA-N 0 1 351.359 0.999 20 5 FCBDMN COCC(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001609316426 1289086851 /nfs/dbraw/zinc/08/68/51/1289086851.db2.gz YZVGHDMQUHGHGZ-UHFFFAOYSA-N 0 1 370.391 0.820 20 5 FCBDMN Nc1c(C(=O)N2CC[NH+](CC(=O)[O-])CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001601206710 1286700238 /nfs/dbraw/zinc/70/02/38/1286700238.db2.gz BAHKXGUOLMOPGP-UHFFFAOYSA-N 0 1 360.729 0.812 20 5 FCBDMN C[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H](C(=O)[O-])C1 ZINC001606235855 1288225179 /nfs/dbraw/zinc/22/51/79/1288225179.db2.gz OVJIXMPYIWRZAG-LLVKDONJSA-N 0 1 374.357 0.264 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(C2)CCCO3)c1-c1nn[nH]n1 ZINC001607084614 1288652043 /nfs/dbraw/zinc/65/20/43/1288652043.db2.gz PRQSGBBOJIKBMM-UHFFFAOYSA-N 0 1 366.359 0.328 20 5 FCBDMN CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001609093006 1288914876 /nfs/dbraw/zinc/91/48/76/1288914876.db2.gz 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C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603483202 1287387539 /nfs/dbraw/zinc/38/75/39/1287387539.db2.gz RPCQQUMMXLDODH-SECBINFHSA-N 0 1 369.407 0.393 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccn2)c1-c1nn[nH]n1 ZINC001582804855 1282029494 /nfs/dbraw/zinc/02/94/94/1282029494.db2.gz OOHGEHGMMLDAIB-UHFFFAOYSA-N 0 1 362.331 0.043 20 5 FCBDMN CCN(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604270392 1287596985 /nfs/dbraw/zinc/59/69/85/1287596985.db2.gz CMEFPWIQFUBAQA-UHFFFAOYSA-N 0 1 357.330 0.568 20 5 FCBDMN CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589764041 1282988346 /nfs/dbraw/zinc/98/83/46/1282988346.db2.gz PFDWDPQTMILIOQ-SECBINFHSA-N 0 1 369.407 0.427 20 5 FCBDMN C[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001589850699 1283087672 /nfs/dbraw/zinc/08/76/72/1283087672.db2.gz HGPIUBYBZZAGQM-VHSXEESVSA-N 0 1 371.361 0.847 20 5 FCBDMN C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001589915194 1283125093 /nfs/dbraw/zinc/12/50/93/1283125093.db2.gz ZMAHOBWQKMLOTB-IUCAKERBSA-N 0 1 367.391 0.133 20 5 FCBDMN CCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC001604411670 1287636109 /nfs/dbraw/zinc/63/61/09/1287636109.db2.gz BVPOUWQFEGAIQI-UHFFFAOYSA-N 0 1 354.348 0.184 20 5 FCBDMN CC[C@H](C[C@@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC001590421390 1283531175 /nfs/dbraw/zinc/53/11/75/1283531175.db2.gz IKUJEMAEMKYOEB-RKDXNWHRSA-N 0 1 370.391 0.603 20 5 FCBDMN COc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cc(OC)c1 ZINC001591541535 1284721106 /nfs/dbraw/zinc/72/11/06/1284721106.db2.gz VCEYUOAXTCCEEK-UHFFFAOYSA-N 0 1 374.317 0.627 20 5 FCBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001592938072 1285828008 /nfs/dbraw/zinc/82/80/08/1285828008.db2.gz XENUYGVYAGUSEJ-UHFFFAOYSA-N 0 1 355.727 0.720 20 5 FCBDMN O=C1NC2(CO1)CCN(Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC001593412697 1286134938 /nfs/dbraw/zinc/13/49/38/1286134938.db2.gz BLFLMIWTEAVBDW-UHFFFAOYSA-N 0 1 359.346 0.849 20 5 FCBDMN O=C1OCCN1[C@@H]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001593415339 1286139272 /nfs/dbraw/zinc/13/92/72/1286139272.db2.gz XXOMUCITKKZPDU-SNVBAGLBSA-N 0 1 359.346 0.801 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CCC2)c1-c1nn[nH]n1 ZINC001593483730 1286174658 /nfs/dbraw/zinc/17/46/58/1286174658.db2.gz FYVNHCUHLFODJV-VIFPVBQESA-N 0 1 368.375 0.214 20 5 FCBDMN O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001593487210 1286175950 /nfs/dbraw/zinc/17/59/50/1286175950.db2.gz FPGQVFADOXTAQN-NXEZZACHSA-N 0 1 365.419 0.872 20 5 FCBDMN C[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001609289801 1289058409 /nfs/dbraw/zinc/05/84/09/1289058409.db2.gz UEUQJDOMDRPVGG-UHFFFAOYSA-N 0 1 367.391 0.147 20 5 FCBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609297265 1289067225 /nfs/dbraw/zinc/06/72/25/1289067225.db2.gz JGKBYDJSTZLRMU-NSHDSACASA-N 0 1 361.362 0.316 20 5 FCBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001600059209 1286433941 /nfs/dbraw/zinc/43/39/41/1286433941.db2.gz DTMMHUCUTZWVTQ-UHFFFAOYSA-N 0 1 352.303 0.654 20 5 FCBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001600305459 1286475264 /nfs/dbraw/zinc/47/52/64/1286475264.db2.gz ZUUYEWQIGSOWCG-GFCCVEGCSA-N 0 1 350.375 0.790 20 5 FCBDMN COCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001609326594 1289098279 /nfs/dbraw/zinc/09/82/79/1289098279.db2.gz ZKTZNISJICZYRB-UHFFFAOYSA-N 0 1 362.394 0.880 20 5 FCBDMN COCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001609326594 1289098287 /nfs/dbraw/zinc/09/82/87/1289098287.db2.gz ZKTZNISJICZYRB-UHFFFAOYSA-N 0 1 362.394 0.880 20 5 FCBDMN O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CC=Cc1ccccc1[N+](=O)[O-] ZINC001602199240 1286965899 /nfs/dbraw/zinc/96/58/99/1286965899.db2.gz HAKYCGAUYOWIPV-GSBHKFGHSA-N 0 1 374.353 0.687 20 5 FCBDMN C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1ccccc1[N+](=O)[O-] ZINC001605404318 1287950284 /nfs/dbraw/zinc/95/02/84/1287950284.db2.gz GODZTGHUIRHKJD-SECBINFHSA-N 0 1 372.349 0.427 20 5 FCBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001606160651 1288192800 /nfs/dbraw/zinc/19/28/00/1288192800.db2.gz VPFKAOSDHPJJRW-CJNGLKHVSA-N 0 1 365.386 0.963 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001606993271 1288583457 /nfs/dbraw/zinc/58/34/57/1288583457.db2.gz PCADEYDCBCIJBJ-ZIAGYGMSSA-N 0 1 357.374 0.176 20 5 FCBDMN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)c1 ZINC001607084603 1288651646 /nfs/dbraw/zinc/65/16/46/1288651646.db2.gz PBSQOSWONHHEIX-UHFFFAOYSA-N 0 1 364.343 0.889 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cccnc32)c1-c1nn[nH]n1 ZINC001607084835 1288651714 /nfs/dbraw/zinc/65/17/14/1288651714.db2.gz BCGFXBVMIDOISK-UHFFFAOYSA-N 0 1 373.354 0.921 20 5 FCBDMN O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001607082362 1288652239 /nfs/dbraw/zinc/65/22/39/1288652239.db2.gz NOHLMCKJEPDFRG-ZFWWWQNUSA-N 0 1 359.390 0.810 20 5 FCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001607291670 1288696438 /nfs/dbraw/zinc/69/64/38/1288696438.db2.gz NEJNGEFOYWZDLI-DOMZBBRYSA-N 0 1 367.358 0.842 20 5 FCBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001608308518 1288816279 /nfs/dbraw/zinc/81/62/79/1288816279.db2.gz VNIGUZWFLFQXKV-MWLCHTKSSA-N 0 1 355.322 0.830 20 5 FCBDMN C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001609072225 1288903444 /nfs/dbraw/zinc/90/34/44/1288903444.db2.gz HVJVBIGMFVUMFX-ZETCQYMHSA-N 0 1 362.281 0.810 20 5 FCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1CC(C)(C)O ZINC001609175891 1288969267 /nfs/dbraw/zinc/96/92/67/1288969267.db2.gz AWPREBXWTCEAQO-JTQLQIEISA-N 0 1 362.394 0.451 20 5 FCBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1CC(C)(C)O ZINC001609175891 1288969270 /nfs/dbraw/zinc/96/92/70/1288969270.db2.gz AWPREBXWTCEAQO-JTQLQIEISA-N 0 1 362.394 0.451 20 5 FCBDMN O=C(COc1cnc(-c2nn[nH]n2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001609533831 1289202033 /nfs/dbraw/zinc/20/20/33/1289202033.db2.gz ZADSXSOOXVXUJB-UHFFFAOYSA-N 0 1 368.313 0.533 20 5 FCBDMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)Nc1ccc([N+](=O)[O-])cc1F ZINC001609551893 1289218058 /nfs/dbraw/zinc/21/80/58/1289218058.db2.gz OQKHDEAWZRAAJV-UHFFFAOYSA-N 0 1 362.285 0.327 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCSC2)c1-c1nn[nH]n1 ZINC001609602759 1289257781 /nfs/dbraw/zinc/25/77/81/1289257781.db2.gz HGASDSOVNWXSID-MRVPVSSYSA-N 0 1 370.416 0.806 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCO)c1-c1nn[nH]n1 ZINC001609602771 1289258406 /nfs/dbraw/zinc/25/84/06/1289258406.db2.gz HSMZEKASHIKLQV-UHFFFAOYSA-N 0 1 356.364 0.216 20 5 FCBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001609735157 1289288104 /nfs/dbraw/zinc/28/81/04/1289288104.db2.gz LAAHTMHFYWTYBO-GFCCVEGCSA-N 0 1 371.415 0.905 20 5 FCBDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001609851395 1289312414 /nfs/dbraw/zinc/31/24/14/1289312414.db2.gz LJXOJASKLPGWJF-NGBXAZJTSA-N 0 1 354.363 0.247 20 5 FCBDMN CS(=O)(=O)c1ccc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001699257407 1289548519 /nfs/dbraw/zinc/54/85/19/1289548519.db2.gz OZGFHOWRIXAPPA-JDEDCZITSA-N 0 1 357.388 0.110 20 5 FCBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC001610734237 1289570612 /nfs/dbraw/zinc/57/06/12/1289570612.db2.gz BOGXOAMCKVCTPX-CMPLNLGQSA-N 0 1 365.342 0.660 20 5 FCBDMN O=C(NCC1(O)CN(CCOc2ccccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001699913468 1289577493 /nfs/dbraw/zinc/57/74/93/1289577493.db2.gz XSLVOQYSOHCZPW-DGCLKSJQSA-N 0 1 369.805 0.547 20 5 FCBDMN Cc1ccc(CNC(=O)CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001753049047 1290617650 /nfs/dbraw/zinc/61/76/50/1290617650.db2.gz PORDYLUBARYLML-CHWSQXEVSA-N 0 1 354.432 0.386 20 5 FCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1cc(F)ccc1F ZINC001753049181 1290617675 /nfs/dbraw/zinc/61/76/75/1290617675.db2.gz UOYOTPMFOWJNFD-ZWNOBZJWSA-N 0 1 356.329 0.617 20 5 FCBDMN O=C(CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC001753153313 1290619874 /nfs/dbraw/zinc/61/98/74/1290619874.db2.gz POKUFNVJFAGHMN-HUUCEWRRSA-N 0 1 352.435 0.681 20 5 FCBDMN Cc1nnc(NC(=O)CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)s1 ZINC001753154873 1290622007 /nfs/dbraw/zinc/62/20/07/1290622007.db2.gz SVTQBEXYUXYNSZ-GHMZBOCLSA-N 0 1 368.419 0.031 20 5 FCBDMN Cc1noc(Cl)c1CCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688343447 1294484121 /nfs/dbraw/zinc/48/41/21/1294484121.db2.gz MXLVRHTVVRVUTN-GHMZBOCLSA-N 0 1 358.782 0.809 20 5 FCBDMN COc1ccc(CC(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC001688376604 1294487042 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0.215 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC(CCO)C2)c1-c1nn[nH]n1 ZINC001593483802 1286174154 /nfs/dbraw/zinc/17/41/54/1286174154.db2.gz JZHREKIMGJOERA-UHFFFAOYSA-N 0 1 368.375 0.214 20 5 FCBDMN Cc1c(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599976746 1286416987 /nfs/dbraw/zinc/41/69/87/1286416987.db2.gz JSOIVFXFVNFEGW-SNVBAGLBSA-N 0 1 366.330 0.900 20 5 FCBDMN O=C([O-])[C@H](O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001601683763 1286807576 /nfs/dbraw/zinc/80/75/76/1286807576.db2.gz SUWIIFMIWGNWDY-MRXNPFEDSA-N 0 1 363.370 0.641 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001602567505 1287027594 /nfs/dbraw/zinc/02/75/94/1287027594.db2.gz PLWHFRILPJRMQC-NSHDSACASA-N 0 1 362.342 0.814 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001602567505 1287027605 /nfs/dbraw/zinc/02/76/05/1287027605.db2.gz PLWHFRILPJRMQC-NSHDSACASA-N 0 1 362.342 0.814 20 5 FCBDMN 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O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccns2)c1-c1nn[nH]n1 ZINC001607085062 1288651762 /nfs/dbraw/zinc/65/17/62/1288651762.db2.gz HMJLBULXVONMTL-UHFFFAOYSA-N 0 1 367.372 0.710 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(COC3)C2)c1-c1nn[nH]n1 ZINC001607084704 1288652713 /nfs/dbraw/zinc/65/27/13/1288652713.db2.gz ULZAIWQXPULKNJ-UHFFFAOYSA-N 0 1 366.359 0.186 20 5 FCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001607291672 1288695798 /nfs/dbraw/zinc/69/57/98/1288695798.db2.gz NEJNGEFOYWZDLI-SWLSCSKDSA-N 0 1 367.358 0.842 20 5 FCBDMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001607310318 1288698554 /nfs/dbraw/zinc/69/85/54/1288698554.db2.gz QAHFNJZBLGRQRU-UKRRQHHQSA-N 0 1 364.358 0.919 20 5 FCBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnc(-c2nn[n-]n2)n1 ZINC001609111665 1288925960 /nfs/dbraw/zinc/92/59/60/1288925960.db2.gz CBBYMUDUSWFBFL-NSHDSACASA-N 0 1 357.378 0.977 20 5 FCBDMN 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KXOXBJGQJMKSLL-CHWSQXEVSA-N 0 1 366.374 0.382 20 5 FCBDMN CCCc1n[nH]cc1C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000949139258 1212303850 /nfs/dbraw/zinc/30/38/50/1212303850.db2.gz KPSIQLLWFUGFQV-IUODEOHRSA-N 0 1 363.418 0.996 20 5 FCBDMN Cc1cc(C)n(CC(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000949154847 1212308097 /nfs/dbraw/zinc/30/80/97/1212308097.db2.gz AQJUGJNZQRDEMX-HUUCEWRRSA-N 0 1 363.418 0.520 20 5 FCBDMN COc1cc(C(=O)N2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000949198335 1212322174 /nfs/dbraw/zinc/32/21/74/1212322174.db2.gz PYUYGPJFQUMUEI-DGCLKSJQSA-N 0 1 365.390 0.062 20 5 FCBDMN O=C(c1cn[nH]n1)N(CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000952618240 1212965606 /nfs/dbraw/zinc/96/56/06/1212965606.db2.gz NEPWOXARBQPTDB-TZMCWYRMSA-N 0 1 362.390 0.313 20 5 FCBDMN Cc1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000952646799 1212967232 /nfs/dbraw/zinc/96/72/32/1212967232.db2.gz BUROJNAFHAMHRT-QVHKTLOISA-N 0 1 359.386 0.656 20 5 FCBDMN COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000952701554 1212970338 /nfs/dbraw/zinc/97/03/38/1212970338.db2.gz DKWDCYVBLCTMDY-WRWGMCAJSA-N 0 1 364.358 0.554 20 5 FCBDMN CCn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952703717 1212971071 /nfs/dbraw/zinc/97/10/71/1212971071.db2.gz RAUHCAFLFJZKCR-QVHKTLOISA-N 0 1 361.402 0.774 20 5 FCBDMN O=C(CCc1cn[nH]c1)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000952713717 1212972724 /nfs/dbraw/zinc/97/27/24/1212972724.db2.gz XHROXRAGCKVVGV-LXTVHRRPSA-N 0 1 361.402 0.599 20 5 FCBDMN Cn1cncc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000952750713 1212977321 /nfs/dbraw/zinc/97/73/21/1212977321.db2.gz LROGPNIYHVQZBY-AYRXBEOTSA-N 0 1 361.402 0.220 20 5 FCBDMN CCc1ncncc1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953953653 1213027106 /nfs/dbraw/zinc/02/71/06/1213027106.db2.gz OJESUJIGBRCFST-IUODEOHRSA-N 0 1 361.402 0.767 20 5 FCBDMN Cc1cc(C)n(CC(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000954079248 1213038859 /nfs/dbraw/zinc/03/88/59/1213038859.db2.gz OEGDHTZTFZNLDU-HUUCEWRRSA-N 0 1 363.418 0.615 20 5 FCBDMN COc1cccnc1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954123508 1213041127 /nfs/dbraw/zinc/04/11/27/1213041127.db2.gz LOSUBVUWJZRGEY-CHWSQXEVSA-N 0 1 362.386 0.818 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cn2ncc3ccccc32)C1 ZINC000954239436 1213049935 /nfs/dbraw/zinc/04/99/35/1213049935.db2.gz HSTSHTOTEVSMBS-UKRRQHHQSA-N 0 1 357.370 0.371 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc3ccccc3nn2)C1 ZINC000954241581 1213050848 /nfs/dbraw/zinc/05/08/48/1213050848.db2.gz KFHGNZHGYKWHLF-IUODEOHRSA-N 0 1 355.354 0.578 20 5 FCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000954240835 1213050967 /nfs/dbraw/zinc/05/09/67/1213050967.db2.gz BFXVTCWZMLMMSS-HUUCEWRRSA-N 0 1 370.369 0.215 20 5 FCBDMN 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C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CN(C)CCN1C ZINC001120959480 1222133402 /nfs/dbraw/zinc/13/34/02/1222133402.db2.gz JPQLKUYSIIHWAA-BDJLRTHQSA-N 0 1 362.434 0.831 20 5 FCBDMN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001123667855 1222347696 /nfs/dbraw/zinc/34/76/96/1222347696.db2.gz KPHJUUBSXVUPRK-UMVBOHGHSA-N 0 1 360.418 0.391 20 5 FCBDMN Nc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000832415061 1222530231 /nfs/dbraw/zinc/53/02/31/1222530231.db2.gz PBIWFJPJPLLHQD-ZDUSSCGKSA-N 0 1 361.402 0.461 20 5 FCBDMN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839542152 1222744246 /nfs/dbraw/zinc/74/42/46/1222744246.db2.gz QATPNOBIPNYJAO-KCPJHIHWSA-N 0 1 364.377 0.962 20 5 FCBDMN O=C(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000839676637 1222753934 /nfs/dbraw/zinc/75/39/34/1222753934.db2.gz MVJZEZBPVMEPDN-HZPDHXFCSA-N 0 1 360.414 0.897 20 5 FCBDMN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840458086 1222786831 /nfs/dbraw/zinc/78/68/31/1222786831.db2.gz DGBMIWCYHDYBFP-UTUOFQBUSA-N 0 1 371.390 0.663 20 5 FCBDMN CCOC(=O)c1ccnc(N2CCC([C@@H](N)C(=O)OC)CC2)c1[N+](=O)[O-] ZINC001155168450 1223027987 /nfs/dbraw/zinc/02/79/87/1223027987.db2.gz CKTCUFJAQDCPAK-GFCCVEGCSA-N 0 1 366.374 0.883 20 5 FCBDMN CCCn1nnnc1CN1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160106873 1223146186 /nfs/dbraw/zinc/14/61/86/1223146186.db2.gz FWMBGRPXBQWAOH-ZIAGYGMSSA-N 0 1 363.422 0.387 20 5 FCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1c(F)ccc2ccncc21 ZINC000993533408 1249652059 /nfs/dbraw/zinc/65/20/59/1249652059.db2.gz LHSLZNWLNMYKMC-BXUZGUMPSA-N 0 1 358.329 0.980 20 5 FCBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000993961305 1250108244 /nfs/dbraw/zinc/10/82/44/1250108244.db2.gz FNLTVFFECKBDRE-CHWSQXEVSA-N 0 1 361.354 0.454 20 5 FCBDMN CC(C)(C)n1cnc(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000941012824 1246429417 /nfs/dbraw/zinc/42/94/17/1246429417.db2.gz OSETZGWMKRJZAB-VXGBXAGGSA-N 0 1 364.406 0.373 20 5 FCBDMN O=C(c1coc(CC2CC2)n1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012377 1246429667 /nfs/dbraw/zinc/42/96/67/1246429667.db2.gz AWIXPMWWFYMBCH-TZMCWYRMSA-N 0 1 362.386 0.967 20 5 FCBDMN Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)nn1 ZINC000943699809 1247388433 /nfs/dbraw/zinc/38/84/33/1247388433.db2.gz QXESKOIFKFOUTH-QHSBEEBCSA-N 0 1 361.402 0.916 20 5 FCBDMN NC(=O)c1coc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000943699664 1247388708 /nfs/dbraw/zinc/38/87/08/1247388708.db2.gz NZOHDIQPWDTCOO-DDHJBXDOSA-N 0 1 364.358 0.201 20 5 FCBDMN COc1ncccc1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943699379 1247389314 /nfs/dbraw/zinc/38/93/14/1247389314.db2.gz HDQRSICKLJHUIK-HBJVGIJOSA-N 0 1 362.386 0.913 20 5 FCBDMN O=C(Cn1cccn1)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944356965 1247536658 /nfs/dbraw/zinc/53/66/58/1247536658.db2.gz MXDXQJLNDJNBGZ-ZIAGYGMSSA-N 0 1 361.402 0.389 20 5 FCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCN(C(=O)C3CCOCC3)C2)CC1 ZINC000944385481 1247543476 /nfs/dbraw/zinc/54/34/76/1247543476.db2.gz SXEHCBCULYFVCJ-HUUCEWRRSA-N 0 1 365.430 0.919 20 5 FCBDMN O=C(Cc1cc[nH]n1)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385132 1247543804 /nfs/dbraw/zinc/54/38/04/1247543804.db2.gz MCGUNDGEHAXVAR-ZIAGYGMSSA-N 0 1 361.402 0.459 20 5 FCBDMN O=C(Cc1ccn[nH]1)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000944385132 1247543812 /nfs/dbraw/zinc/54/38/12/1247543812.db2.gz MCGUNDGEHAXVAR-ZIAGYGMSSA-N 0 1 361.402 0.459 20 5 FCBDMN Cc1n[nH]cc1C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000944385116 1247544015 /nfs/dbraw/zinc/54/40/15/1247544015.db2.gz LMAMYKREDPHAME-TZMCWYRMSA-N 0 1 361.402 0.838 20 5 FCBDMN Cc1c(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cnn1C ZINC000944855552 1247669704 /nfs/dbraw/zinc/66/97/04/1247669704.db2.gz BUSJNLFFIJJJJK-TZMCWYRMSA-N 0 1 361.402 0.458 20 5 FCBDMN COc1cc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)on1 ZINC000944917796 1247682995 /nfs/dbraw/zinc/68/29/95/1247682995.db2.gz BNMUXLDUJUZWSW-GHMZBOCLSA-N 0 1 364.358 0.413 20 5 FCBDMN O=C(CCc1cn[nH]c1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944945437 1247686438 /nfs/dbraw/zinc/68/64/38/1247686438.db2.gz YAMJEQFQIOOPFE-ZIAGYGMSSA-N 0 1 361.402 0.459 20 5 FCBDMN CCc1nc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589243 1247906350 /nfs/dbraw/zinc/90/63/50/1247906350.db2.gz NOXDAROLQCXHNG-XJFOESAGSA-N 0 1 363.418 0.968 20 5 FCBDMN CN(C)c1ccnc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000946702939 1247960093 /nfs/dbraw/zinc/96/00/93/1247960093.db2.gz DPDDUROYVTYMHO-UKRRQHHQSA-N 0 1 361.402 0.534 20 5 FCBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1occ2c1CCOC2 ZINC000946703408 1247961598 /nfs/dbraw/zinc/96/15/98/1247961598.db2.gz YMKYQOGRAQLKNL-ZIAGYGMSSA-N 0 1 363.370 0.738 20 5 FCBDMN Cn1ncc(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C1CC1 ZINC000946703438 1247961638 /nfs/dbraw/zinc/96/16/38/1247961638.db2.gz ZMUQPOARQWKFSH-TZMCWYRMSA-N 0 1 361.402 0.684 20 5 FCBDMN O=C(Cn1cc2ccccc2n1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946705880 1247963453 /nfs/dbraw/zinc/96/34/53/1247963453.db2.gz XEAQIVNOABCYBF-GDBMZVCRSA-N 0 1 371.397 0.809 20 5 FCBDMN Cc1noc(C2CC2)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976476970 1248222465 /nfs/dbraw/zinc/22/24/65/1248222465.db2.gz HVXCSOWPFWOGOT-DIACKHNESA-N 0 1 360.370 0.712 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4[nH]ncc43)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976477646 1248224511 /nfs/dbraw/zinc/22/45/11/1248224511.db2.gz OABIDACAFWXWBH-DJOIZQNCSA-N 0 1 355.354 0.415 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976478732 1248224544 /nfs/dbraw/zinc/22/45/44/1248224544.db2.gz APYDZNPWZZAYBP-PEZYRPDVSA-N 0 1 369.299 0.956 20 5 FCBDMN Cc1cc(C)n(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000976477605 1248224666 /nfs/dbraw/zinc/22/46/66/1248224666.db2.gz MFNHMWKZVCUXRL-SSZWKKLZSA-N 0 1 361.402 0.128 20 5 FCBDMN O=C(Cc1cccc(F)c1F)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976482662 1248225854 /nfs/dbraw/zinc/22/58/54/1248225854.db2.gz XKMFMJAAWYRTBZ-STKZKQKTSA-N 0 1 365.336 0.746 20 5 FCBDMN Cc1cncc(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000976483214 1248225932 /nfs/dbraw/zinc/22/59/32/1248225932.db2.gz LADFROGOAXNGCR-GAGVYUBLSA-N 0 1 358.398 0.561 20 5 FCBDMN Cc1nc2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2o1 ZINC000976491028 1248226118 /nfs/dbraw/zinc/22/61/18/1248226118.db2.gz DRUTWGILZATDIB-NMQNIBJMSA-N 0 1 370.365 0.988 20 5 FCBDMN Cc1noc(C)c1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976493977 1248227999 /nfs/dbraw/zinc/22/79/99/1248227999.db2.gz PEZFPYCKSCYDCX-SSZWKKLZSA-N 0 1 362.386 0.462 20 5 FCBDMN COCc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c1 ZINC000976738077 1248366045 /nfs/dbraw/zinc/36/60/45/1248366045.db2.gz CARQONMTCWDNBH-QMIVOQANSA-N 0 1 360.370 0.080 20 5 FCBDMN O=C(Cc1cnn2ccccc12)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976742511 1248369662 /nfs/dbraw/zinc/36/96/62/1248369662.db2.gz FPVQOLACCWRGPT-FVFNWAJOSA-N 0 1 369.381 0.115 20 5 FCBDMN Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c(=O)[nH]1 ZINC000976886582 1248445540 /nfs/dbraw/zinc/44/55/40/1248445540.db2.gz BHQDPSYAAGUKPF-DIACKHNESA-N 0 1 360.370 0.256 20 5 FCBDMN O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976986444 1248510911 /nfs/dbraw/zinc/51/09/11/1248510911.db2.gz ZOTMNYCKZMRFLO-FVFNWAJOSA-N 0 1 369.381 0.344 20 5 FCBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1cc(F)c(F)cc1F ZINC000977079301 1248538127 /nfs/dbraw/zinc/53/81/27/1248538127.db2.gz WOSYCWYPVDPQAF-SUDVZLAASA-N 0 1 369.299 0.956 20 5 FCBDMN COc1cccc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c1 ZINC000977176981 1248562675 /nfs/dbraw/zinc/56/26/75/1248562675.db2.gz RZSUKFCARISYBX-GAGVYUBLSA-N 0 1 359.382 0.476 20 5 FCBDMN CC(=O)Nc1ccc(F)c(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000994388361 1250420684 /nfs/dbraw/zinc/42/06/84/1250420684.db2.gz QEKMRCGTRXPQRN-TZMCWYRMSA-N 0 1 364.333 0.390 20 5 FCBDMN O=C(c1ccc[nH]1)N1CCC(OC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000994781250 1250659426 /nfs/dbraw/zinc/65/94/26/1250659426.db2.gz IYMVYWMEYUUXGB-UKRRQHHQSA-N 0 1 362.386 0.512 20 5 FCBDMN CC(C)COc1ncccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996528793 1251372126 /nfs/dbraw/zinc/37/21/26/1251372126.db2.gz LLVLPAQTGOQFMO-ZIAGYGMSSA-N 0 1 362.386 0.722 20 5 FCBDMN O=C(Cc1cccc2cccnc21)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996708877 1251420585 /nfs/dbraw/zinc/42/05/85/1251420585.db2.gz KRQMHPRSHYWZAW-HUUCEWRRSA-N 0 1 354.366 0.770 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ZINC001593332350 1286077868 /nfs/dbraw/zinc/07/78/68/1286077868.db2.gz KUKRQGPJQMZHAN-UHFFFAOYSA-N 0 1 369.345 0.460 20 5 FCBDMN O=C1c2ccccc2C(=O)N1CCn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001593414481 1286137768 /nfs/dbraw/zinc/13/77/68/1286137768.db2.gz PSARBHKJWPYIJX-UHFFFAOYSA-N 0 1 354.286 0.268 20 5 FCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)c1-c1nn[nH]n1 ZINC001593485550 1286174287 /nfs/dbraw/zinc/17/42/87/1286174287.db2.gz RBJHUHBEDUHRHE-IUCAKERBSA-N 0 1 368.375 0.214 20 5 FCBDMN Cc1c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600025017 1286427210 /nfs/dbraw/zinc/42/72/10/1286427210.db2.gz CAUQKJDWLUFSKX-UHFFFAOYSA-N 0 1 364.358 0.704 20 5 FCBDMN Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600032435 1286432186 /nfs/dbraw/zinc/43/21/86/1286432186.db2.gz URKMXEKIPSMCTR-VXGBXAGGSA-N 0 1 351.359 0.999 20 5 FCBDMN C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001603036525 1287194826 /nfs/dbraw/zinc/19/48/26/1287194826.db2.gz FKWQRPBKJQJBLM-VIFPVBQESA-N 0 1 374.317 0.550 20 5 FCBDMN C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)n1cnc(-c2nn[nH]n2)n1 ZINC001603036014 1287195047 /nfs/dbraw/zinc/19/50/47/1287195047.db2.gz AUAVMZOGPYLRQI-ZETCQYMHSA-N 0 1 362.281 0.810 20 5 FCBDMN C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001606222188 1288214812 /nfs/dbraw/zinc/21/48/12/1288214812.db2.gz VXBOHBYIQPZRER-JTQLQIEISA-N 0 1 357.388 0.913 20 5 FCBDMN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C(=O)[O-] ZINC001606430367 1288311773 /nfs/dbraw/zinc/31/17/73/1288311773.db2.gz OIBBQDPBRSBNGV-VXGBXAGGSA-N 0 1 365.342 0.647 20 5 FCBDMN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C(=O)[O-] ZINC001606430367 1288311782 /nfs/dbraw/zinc/31/17/82/1288311782.db2.gz OIBBQDPBRSBNGV-VXGBXAGGSA-N 0 1 365.342 0.647 20 5 FCBDMN O=C(NC1CC1)[C@@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001606648203 1288423608 /nfs/dbraw/zinc/42/36/08/1288423608.db2.gz NPJNOYRSWUEMHA-CYBMUJFWSA-N 0 1 354.330 0.839 20 5 FCBDMN C[C@@H](N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)(C)O ZINC001609117125 1288928397 /nfs/dbraw/zinc/92/83/97/1288928397.db2.gz JVSNRSBGGWNCTH-MRVPVSSYSA-N 0 1 370.391 0.555 20 5 FCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1CC(C)(C)O ZINC001609175892 1288969215 /nfs/dbraw/zinc/96/92/15/1288969215.db2.gz AWPREBXWTCEAQO-SNVBAGLBSA-N 0 1 362.394 0.451 20 5 FCBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1CC(C)(C)O ZINC001609175892 1288969218 /nfs/dbraw/zinc/96/92/18/1288969218.db2.gz AWPREBXWTCEAQO-SNVBAGLBSA-N 0 1 362.394 0.451 20 5 FCBDMN C/C(=C\C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001609498219 1289179665 /nfs/dbraw/zinc/17/96/65/1289179665.db2.gz ZFLLKWYLFNKAMT-YRNVUSSQSA-N 0 1 357.388 0.836 20 5 FCBDMN C/C(=C\C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001609498219 1289179669 /nfs/dbraw/zinc/17/96/69/1289179669.db2.gz ZFLLKWYLFNKAMT-YRNVUSSQSA-N 0 1 357.388 0.836 20 5 FCBDMN Nc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511003 1289189985 /nfs/dbraw/zinc/18/99/85/1289189985.db2.gz RPWAOOMXZANZJF-NSHDSACASA-N 0 1 374.405 0.516 20 5 FCBDMN Nc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511003 1289189988 /nfs/dbraw/zinc/18/99/88/1289189988.db2.gz RPWAOOMXZANZJF-NSHDSACASA-N 0 1 374.405 0.516 20 5 FCBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001609637723 1289269834 /nfs/dbraw/zinc/26/98/34/1289269834.db2.gz JMNBPTGTKOUIDA-RYUDHWBXSA-N 0 1 350.375 0.870 20 5 FCBDMN CN1CC[N@H+](C)C[C@H]1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610136236 1289391148 /nfs/dbraw/zinc/39/11/48/1289391148.db2.gz CPOVCSGSJJTORO-CYBMUJFWSA-N 0 1 352.391 0.394 20 5 FCBDMN CN1CC[N@@H+](C)C[C@H]1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610136236 1289391158 /nfs/dbraw/zinc/39/11/58/1289391158.db2.gz CPOVCSGSJJTORO-CYBMUJFWSA-N 0 1 352.391 0.394 20 5 FCBDMN COC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC001610176287 1289408738 /nfs/dbraw/zinc/40/87/38/1289408738.db2.gz BOHRSQJFGBEHRP-LBPRGKRZSA-N 0 1 365.342 0.470 20 5 FCBDMN COC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC001610176287 1289408743 /nfs/dbraw/zinc/40/87/43/1289408743.db2.gz BOHRSQJFGBEHRP-LBPRGKRZSA-N 0 1 365.342 0.470 20 5 FCBDMN Cc1nc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)oc1C ZINC001699883016 1289570749 /nfs/dbraw/zinc/57/07/49/1289570749.db2.gz NKTGCDAKHNHOSL-CHWSQXEVSA-N 0 1 352.391 0.712 20 5 FCBDMN O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610838124 1289604005 /nfs/dbraw/zinc/60/40/05/1289604005.db2.gz IEJCDTUXGINBSX-VIFPVBQESA-N 0 1 355.372 0.808 20 5 FCBDMN O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610838124 1289604014 /nfs/dbraw/zinc/60/40/14/1289604014.db2.gz IEJCDTUXGINBSX-VIFPVBQESA-N 0 1 355.372 0.808 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001610870759 1289613939 /nfs/dbraw/zinc/61/39/39/1289613939.db2.gz HTIBNKCQUGRSFA-JTQLQIEISA-N 0 1 362.342 0.814 20 5 FCBDMN O=C([O-])c1n[nH]c2c1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001610870759 1289613951 /nfs/dbraw/zinc/61/39/51/1289613951.db2.gz HTIBNKCQUGRSFA-JTQLQIEISA-N 0 1 362.342 0.814 20 5 FCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(N2CCCC2)ccn1 ZINC001688325419 1294479280 /nfs/dbraw/zinc/47/92/80/1294479280.db2.gz AWWGTSSVFYSNDA-UKRRQHHQSA-N 0 1 361.402 0.535 20 5 FCBDMN COc1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cn1 ZINC001688791313 1294532236 /nfs/dbraw/zinc/53/22/36/1294532236.db2.gz DJYGUBJJWOZVSY-CHWSQXEVSA-N 0 1 362.386 0.914 20 5 FCBDMN NC(=O)CCCC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001688827901 1294540077 /nfs/dbraw/zinc/54/00/77/1294540077.db2.gz PUBQQXWLZMIWDY-CHWSQXEVSA-N 0 1 354.407 0.052 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnc2c1ncn2C ZINC001689078791 1294598762 /nfs/dbraw/zinc/59/87/62/1294598762.db2.gz CSLQCKPAAMPCQJ-VXGBXAGGSA-N 0 1 360.374 0.164 20 5 FCBDMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1csc2cncn21 ZINC001689079536 1294599053 /nfs/dbraw/zinc/59/90/53/1294599053.db2.gz TYMHXDBOTBHRAH-NXEZZACHSA-N 0 1 351.388 0.591 20 5 FCBDMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1scc2c1OCCO2 ZINC001689326261 1294752842 /nfs/dbraw/zinc/75/28/42/1294752842.db2.gz NOECKYPSWGFWFF-UFLMBTITSA-N 0 1 367.383 0.587 20 5 FCBDMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnn(-c2ccccn2)c1 ZINC001689582758 1294798207 /nfs/dbraw/zinc/79/82/07/1294798207.db2.gz IIRSNMBRJQOQOV-CHWSQXEVSA-N 0 1 370.369 0.311 20 5 FCBDMN COc1ccc(NC(=O)CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001690940227 1294892286 /nfs/dbraw/zinc/89/22/86/1294892286.db2.gz SPSLELHRGHOZTF-ZIAGYGMSSA-N 0 1 350.375 0.347 20 5 FCBDMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nn(C)cc1Br ZINC001690939815 1294894028 /nfs/dbraw/zinc/89/40/28/1294894028.db2.gz KSTILTJBEMSBJG-LDYMZIIASA-N 0 1 360.212 0.396 20 5 FCBDMN CN1CCN(Cc2cn3c(n2)CN(c2cccc([N+](=O)[O-])n2)CC3)CC1 ZINC001164794161 721510836 /nfs/dbraw/zinc/51/08/36/721510836.db2.gz IGRWISZUZUZBFK-UHFFFAOYSA-N 0 1 357.418 0.954 20 5 FCBDMN