smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(NCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccco1 ZINC000096027965 347700383 /nfs/dbraw/zinc/70/03/83/347700383.db2.gz YVVISSIDALDEQZ-CQSZACIVSA-N 0 3 290.319 2.790 50 5 CFBAHN O=[N+]([O-])c1cccnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000023995000 372269148 /nfs/dbraw/zinc/26/91/48/372269148.db2.gz ZBUGFDDNHXCOSL-AWEZNQCLSA-N 0 3 298.346 2.676 50 5 CFBAHN COc1ccc(CN(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089935654 374970189 /nfs/dbraw/zinc/97/01/89/374970189.db2.gz AKCJSRAIHSEAOV-LLVKDONJSA-N 0 3 282.365 2.541 50 5 CFBAHN CN1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000118477789 376300913 /nfs/dbraw/zinc/30/09/13/376300913.db2.gz SNMWLNIETAOOER-UHFFFAOYSA-N 0 3 257.293 2.795 50 5 CFBAHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171774 382705319 /nfs/dbraw/zinc/70/53/19/382705319.db2.gz SWMVBNBCURNYDD-LLVKDONJSA-N 0 3 266.366 2.922 50 5 CFBAHN Cc1ccc(OCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000004845299 170029611 /nfs/dbraw/zinc/02/96/11/170029611.db2.gz OECPZHSNPGJSFA-UHFFFAOYSA-N 0 3 264.325 2.768 50 5 CFBAHN Cc1cc(NC(=O)CNC(C)(C)C)c([N+](=O)[O-])cc1C ZINC000007985151 170311755 /nfs/dbraw/zinc/31/17/55/170311755.db2.gz ZOFJHACAPVTYQP-UHFFFAOYSA-N 0 3 279.340 2.538 50 5 CFBAHN Cc1c(CN2CCCC[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000106669754 186131334 /nfs/dbraw/zinc/13/13/34/186131334.db2.gz YSPLHAMHAWNCDT-SWLSCSKDSA-N 0 3 278.352 2.639 50 5 CFBAHN CC[C@H](C)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000000178667 371551379 /nfs/dbraw/zinc/55/13/79/371551379.db2.gz BOLOJYIWPISLML-ZDUSSCGKSA-N 0 3 277.368 2.511 50 5 CFBAHN COc1ccccc1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000019721086 372180159 /nfs/dbraw/zinc/18/01/59/372180159.db2.gz OZKDJVMSMNAMKV-UHFFFAOYSA-N 0 3 286.331 2.936 50 5 CFBAHN CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000195558669 382769538 /nfs/dbraw/zinc/76/95/38/382769538.db2.gz MABSZHJQXQFYBD-LNSITVRQSA-N 0 3 276.336 2.573 50 5 CFBAHN Cc1ccc([N+](=O)[O-])c(OCCN2CCCCC2)c1 ZINC000004842840 170028809 /nfs/dbraw/zinc/02/88/09/170028809.db2.gz CASGDZHGMNJTHC-UHFFFAOYSA-N 0 3 264.325 2.768 50 5 CFBAHN CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1cccs1 ZINC000008063683 170316849 /nfs/dbraw/zinc/31/68/49/170316849.db2.gz ZRLACIZPHXLJLC-LLVKDONJSA-N 0 3 292.364 2.766 50 5 CFBAHN CN(C)Cc1ccnc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000097378080 347709122 /nfs/dbraw/zinc/70/91/22/347709122.db2.gz DAEJDYIJSVKDGU-UHFFFAOYSA-N 0 3 292.364 2.725 50 5 CFBAHN COC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000079091186 374594897 /nfs/dbraw/zinc/59/48/97/374594897.db2.gz LQXJCQZOPLZOAG-CYBMUJFWSA-N 0 3 278.352 2.762 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000103412 296326239 /nfs/dbraw/zinc/32/62/39/296326239.db2.gz GEPOOLDNNSWCLG-KOLCDFICSA-N 0 3 289.118 2.590 50 5 CFBAHN O=C(CNC1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006224530 261367756 /nfs/dbraw/zinc/36/77/56/261367756.db2.gz XFFZQRRUYKQCFM-UHFFFAOYSA-N 0 3 297.742 2.719 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000103415 280257583 /nfs/dbraw/zinc/25/75/83/280257583.db2.gz GEPOOLDNNSWCLG-MWLCHTKSSA-N 0 3 289.118 2.590 50 5 CFBAHN CN1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000013731830 372045796 /nfs/dbraw/zinc/04/57/96/372045796.db2.gz MWJUXAHARLFJAN-UHFFFAOYSA-N 0 3 257.293 2.795 50 5 CFBAHN COc1cccc(CCNCc2ccccc2[N+](=O)[O-])c1 ZINC000019841339 372197659 /nfs/dbraw/zinc/19/76/59/372197659.db2.gz LGCOQXJENVUARJ-UHFFFAOYSA-N 0 3 286.331 2.936 50 5 CFBAHN CNc1ccc(CN[C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000058161679 373628565 /nfs/dbraw/zinc/62/85/65/373628565.db2.gz YESJDBIYSBHEHH-NSHDSACASA-N 0 3 289.335 2.950 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000000089714 296330497 /nfs/dbraw/zinc/33/04/97/296330497.db2.gz GDAHCVIMQPMWKX-ONGXEEELSA-N 0 3 289.118 2.590 50 5 CFBAHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171778 382705333 /nfs/dbraw/zinc/70/53/33/382705333.db2.gz SWMVBNBCURNYDD-NSHDSACASA-N 0 3 266.366 2.922 50 5 CFBAHN O=[N+]([O-])c1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000019720445 285115176 /nfs/dbraw/zinc/11/51/76/285115176.db2.gz LIGQYMVGSQCZIQ-KRWDZBQOSA-N 0 3 298.342 2.998 50 5 CFBAHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)cc1 ZINC000011691814 285125567 /nfs/dbraw/zinc/12/55/67/285125567.db2.gz BPQLMOSHJDBMDQ-UHFFFAOYSA-N 0 3 275.352 2.659 50 5 CFBAHN CN(C)CCNc1c2ccccc2nc(Cl)c1[N+](=O)[O-] ZINC000096193726 393816971 /nfs/dbraw/zinc/81/69/71/393816971.db2.gz OTSZBXCTHDWHTP-UHFFFAOYSA-N 0 3 294.742 2.770 50 5 CFBAHN O=[N+]([O-])c1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000000178669 371551521 /nfs/dbraw/zinc/55/15/21/371551521.db2.gz JZEMXMWSFCCUGG-UHFFFAOYSA-N 0 3 289.379 2.655 50 5 CFBAHN CCC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000034936536 372518510 /nfs/dbraw/zinc/51/85/10/372518510.db2.gz JICGUQIBRMGQKN-UHFFFAOYSA-N 0 3 252.314 2.882 50 5 CFBAHN CC(C)N1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000170681461 379137310 /nfs/dbraw/zinc/13/73/10/379137310.db2.gz LLBLDHQURGWNQY-SNVBAGLBSA-N 0 3 284.747 2.538 50 5 CFBAHN CO[C@@H](C)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000221928564 382800409 /nfs/dbraw/zinc/80/04/09/382800409.db2.gz VKFRARMRNRBVHQ-HTMRKKJOSA-N 0 3 264.325 2.621 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000000089719 371528620 /nfs/dbraw/zinc/52/86/20/371528620.db2.gz GDAHCVIMQPMWKX-KOLCDFICSA-N 0 3 289.118 2.590 50 5 CFBAHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245338727 382997603 /nfs/dbraw/zinc/99/76/03/382997603.db2.gz OBBOTOKGIOHAGX-RRFJBIMHSA-N 0 3 290.363 2.840 50 5 CFBAHN C[C@H](NCCOc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000095422461 184976698 /nfs/dbraw/zinc/97/66/98/184976698.db2.gz ZQSFHZZWPVGVKJ-LBPRGKRZSA-N 0 3 287.319 2.719 50 5 CFBAHN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000004914177 170040663 /nfs/dbraw/zinc/04/06/63/170040663.db2.gz JDKFPRBSGOJVIC-LBPRGKRZSA-N 0 3 264.325 2.706 50 5 CFBAHN COCC(C)(C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000097037655 375497727 /nfs/dbraw/zinc/49/77/27/375497727.db2.gz ZKQXIEUVYYTQEV-SNVBAGLBSA-N 0 3 252.314 2.670 50 5 CFBAHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000012765508 273805456 /nfs/dbraw/zinc/80/54/56/273805456.db2.gz JJINFCLNJMLEOC-AWEZNQCLSA-N 0 3 286.335 2.705 50 5 CFBAHN O=[N+]([O-])c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000365867 275038618 /nfs/dbraw/zinc/03/86/18/275038618.db2.gz FNZMEEORMKLWGG-LBPRGKRZSA-N 0 3 257.293 2.530 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000000090296 371528145 /nfs/dbraw/zinc/52/81/45/371528145.db2.gz IRJMNOSUPWWKGI-DOTOQJQBSA-N 0 3 296.326 2.950 50 5 CFBAHN CCCCOCCCNCc1cccc([N+](=O)[O-])c1 ZINC000013718150 372045006 /nfs/dbraw/zinc/04/50/06/372045006.db2.gz UFWNKBSBLCANIG-UHFFFAOYSA-N 0 3 266.341 2.891 50 5 CFBAHN O=[N+]([O-])c1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000019720446 372180388 /nfs/dbraw/zinc/18/03/88/372180388.db2.gz LIGQYMVGSQCZIQ-QGZVFWFLSA-N 0 3 298.342 2.998 50 5 CFBAHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000241776780 382984923 /nfs/dbraw/zinc/98/49/23/382984923.db2.gz RSMPKXZVRIEGNV-UHFFFAOYSA-N 0 3 271.320 2.664 50 5 CFBAHN CO[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280355396 384987482 /nfs/dbraw/zinc/98/74/82/384987482.db2.gz TYLLFCKYNNLPSQ-OAHLLOKOSA-N 0 3 278.352 2.986 50 5 CFBAHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000006851676 170248977 /nfs/dbraw/zinc/24/89/77/170248977.db2.gz DLHBLNISXQRZAG-UHFFFAOYSA-N 0 3 291.351 2.798 50 5 CFBAHN CC[C@@H](C)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000000178666 371551972 /nfs/dbraw/zinc/55/19/72/371551972.db2.gz BOLOJYIWPISLML-CYBMUJFWSA-N 0 3 277.368 2.511 50 5 CFBAHN CN1CCC(Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000023549788 372263399 /nfs/dbraw/zinc/26/33/99/372263399.db2.gz FDWOLWSRYVBTPH-UHFFFAOYSA-N 0 3 269.732 2.754 50 5 CFBAHN CNc1ccc(CN[C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000058161680 373629937 /nfs/dbraw/zinc/62/99/37/373629937.db2.gz YESJDBIYSBHEHH-LLVKDONJSA-N 0 3 289.335 2.950 50 5 CFBAHN Cc1c(CN2CCCC[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000069563709 374074046 /nfs/dbraw/zinc/07/40/46/374074046.db2.gz YSPLHAMHAWNCDT-DOMZBBRYSA-N 0 3 278.352 2.639 50 5 CFBAHN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCC(CO)CC1 ZINC000089924248 374968707 /nfs/dbraw/zinc/96/87/07/374968707.db2.gz IWENMFCEDAESBX-UHFFFAOYSA-N 0 3 296.342 2.717 50 5 CFBAHN CO[C@H](C)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000170604573 394371486 /nfs/dbraw/zinc/37/14/86/394371486.db2.gz VKFRARMRNRBVHQ-TXBNAWBVSA-N 0 3 264.325 2.621 50 5 CFBAHN O=[N+]([O-])c1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000004724303 170005900 /nfs/dbraw/zinc/00/59/00/170005900.db2.gz UJPDLXPKGMQKNS-UHFFFAOYSA-N 0 3 289.379 2.655 50 5 CFBAHN O=[N+]([O-])c1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000000284790 280369694 /nfs/dbraw/zinc/36/96/94/280369694.db2.gz XGNLARVGWABFDM-KKUMJFAQSA-N 0 3 276.336 2.551 50 5 CFBAHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000096477864 329526853 /nfs/dbraw/zinc/52/68/53/329526853.db2.gz QHWDYSAUPWDMQV-GIPWTMENSA-N 0 3 298.408 2.793 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000000089716 371527366 /nfs/dbraw/zinc/52/73/66/371527366.db2.gz GDAHCVIMQPMWKX-GXSJLCMTSA-N 0 3 289.118 2.590 50 5 CFBAHN Cn1c2ccc([N+](=O)[O-])cc2nc1CCN1CCCCC1 ZINC000001431639 371675761 /nfs/dbraw/zinc/67/57/61/371675761.db2.gz FUMODKGBISTIJM-UHFFFAOYSA-N 0 3 288.351 2.510 50 5 CFBAHN COCC(C)(C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000097037653 375498684 /nfs/dbraw/zinc/49/86/84/375498684.db2.gz ZKQXIEUVYYTQEV-JTQLQIEISA-N 0 3 252.314 2.670 50 5 CFBAHN CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000195558668 382769466 /nfs/dbraw/zinc/76/94/66/382769466.db2.gz MABSZHJQXQFYBD-NJZAAPMLSA-N 0 3 276.336 2.573 50 5 CFBAHN O=[N+]([O-])c1ccc2c(c1)C(c1ccc(F)cc1)=NCCN2 ZINC000004624093 285142115 /nfs/dbraw/zinc/14/21/15/285142115.db2.gz WYEBOTYVYOEZSX-UHFFFAOYSA-N 0 3 285.278 2.997 50 5 CFBAHN O=[N+]([O-])c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000365869 285145706 /nfs/dbraw/zinc/14/57/06/285145706.db2.gz FNZMEEORMKLWGG-GFCCVEGCSA-N 0 3 257.293 2.530 50 5 CFBAHN CCOC(=O)CCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626679 175600602 /nfs/dbraw/zinc/60/06/02/175600602.db2.gz UOWWPXFQQFYTDW-LBPRGKRZSA-N 0 3 294.351 2.931 50 5 CFBAHN CC(C)N(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000077323034 177252741 /nfs/dbraw/zinc/25/27/41/177252741.db2.gz REIDGOMSKVVDHZ-UHFFFAOYSA-N 0 3 278.352 2.984 50 5 CFBAHN O=[N+]([O-])c1ccccc1OCCCNCc1ccco1 ZINC000003000391 371768931 /nfs/dbraw/zinc/76/89/31/371768931.db2.gz LRBADBSISMXLQJ-UHFFFAOYSA-N 0 3 276.292 2.747 50 5 CFBAHN O=[N+]([O-])c1ccc(OCCN2CCCCCC2)cc1 ZINC000004480165 371856582 /nfs/dbraw/zinc/85/65/82/371856582.db2.gz HZAAXGPEUNXYSU-UHFFFAOYSA-N 0 3 264.325 2.850 50 5 CFBAHN O=[N+]([O-])c1cccc(CNCCc2nc3ccccc3[nH]2)c1 ZINC000057353437 175594778 /nfs/dbraw/zinc/59/47/78/175594778.db2.gz BAURSURRIXSIDF-UHFFFAOYSA-N 0 3 296.330 2.803 50 5 CFBAHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCN(C)CC1 ZINC000078578467 177356292 /nfs/dbraw/zinc/35/62/92/177356292.db2.gz LLUDKQYWEUYKAJ-UHFFFAOYSA-N 0 3 291.351 2.574 50 5 CFBAHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000097033235 185156446 /nfs/dbraw/zinc/15/64/46/185156446.db2.gz YKLQMUKDJYENDI-WBMJQRKESA-N 0 3 286.331 2.979 50 5 CFBAHN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000000240092 371566166 /nfs/dbraw/zinc/56/61/66/371566166.db2.gz BLKWYBIBFDPURB-UHFFFAOYSA-N 0 3 297.786 2.774 50 5 CFBAHN CCCCOCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000013718120 372043141 /nfs/dbraw/zinc/04/31/41/372043141.db2.gz UXTQGKPXMASDSD-UHFFFAOYSA-N 0 3 266.341 2.891 50 5 CFBAHN CN(CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000019606813 372176331 /nfs/dbraw/zinc/17/63/31/372176331.db2.gz DGFGFXJTTDBPGC-UHFFFAOYSA-N 0 3 271.320 2.664 50 5 CFBAHN COc1ccc(CCNCc2ccccc2[N+](=O)[O-])cc1 ZINC000020044636 372223370 /nfs/dbraw/zinc/22/33/70/372223370.db2.gz KFMPGHNYTLRCKF-UHFFFAOYSA-N 0 3 286.331 2.936 50 5 CFBAHN CN(CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000019888944 372203384 /nfs/dbraw/zinc/20/33/84/372203384.db2.gz PCEOEAHRHOFKFJ-UHFFFAOYSA-N 0 3 271.320 2.664 50 5 CFBAHN O=[N+]([O-])c1cccnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023994998 372268950 /nfs/dbraw/zinc/26/89/50/372268950.db2.gz ZBUGFDDNHXCOSL-CQSZACIVSA-N 0 3 298.346 2.676 50 5 CFBAHN O=[N+]([O-])c1ccc(CNCCCOc2ccccn2)cc1 ZINC000057353379 373590495 /nfs/dbraw/zinc/59/04/95/373590495.db2.gz QIVYZOFXCVTISK-UHFFFAOYSA-N 0 3 287.319 2.549 50 5 CFBAHN C[C@@H](NCCOc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000095422462 375440485 /nfs/dbraw/zinc/44/04/85/375440485.db2.gz ZQSFHZZWPVGVKJ-GFCCVEGCSA-N 0 3 287.319 2.719 50 5 CFBAHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245338726 382997944 /nfs/dbraw/zinc/99/79/44/382997944.db2.gz OBBOTOKGIOHAGX-RBSFLKMASA-N 0 3 290.363 2.840 50 5 CFBAHN CC[C@H](C)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004724459 170006197 /nfs/dbraw/zinc/00/61/97/170006197.db2.gz VENMOMFMTGMFAA-ZDUSSCGKSA-N 0 3 277.368 2.511 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000004419021 371854856 /nfs/dbraw/zinc/85/48/56/371854856.db2.gz IRJMNOSUPWWKGI-WBVHZDCISA-N 0 3 296.326 2.950 50 5 CFBAHN CN(C)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000024812031 372281308 /nfs/dbraw/zinc/28/13/08/372281308.db2.gz ZYNSTYZZKTXFMC-UHFFFAOYSA-N 0 3 299.330 2.909 50 5 CFBAHN Cc1c(CN2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089981594 374980625 /nfs/dbraw/zinc/98/06/25/374980625.db2.gz LTBMGKYKVCMMFG-UHFFFAOYSA-N 0 3 266.366 2.842 50 5 CFBAHN O=[N+]([O-])c1cccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c1 ZINC000003145449 371776180 /nfs/dbraw/zinc/77/61/80/371776180.db2.gz YZOKFPLLOVGJKR-QLFBSQMISA-N 0 3 276.336 2.551 50 5 CFBAHN O=[N+]([O-])c1ccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc1 ZINC000223985464 296509069 /nfs/dbraw/zinc/50/90/69/296509069.db2.gz XGNLARVGWABFDM-SOUVJXGZSA-N 0 3 276.336 2.551 50 5 CFBAHN O=[N+]([O-])c1cccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c1 ZINC000004954495 170045283 /nfs/dbraw/zinc/04/52/83/170045283.db2.gz YZOKFPLLOVGJKR-KKUMJFAQSA-N 0 3 276.336 2.551 50 5 CFBAHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000020474786 171219048 /nfs/dbraw/zinc/21/90/48/171219048.db2.gz HEMABAGTEOBYQQ-NSHDSACASA-N 0 3 267.304 2.630 50 5 CFBAHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000096477867 329526897 /nfs/dbraw/zinc/52/68/97/329526897.db2.gz QHWDYSAUPWDMQV-PRWKNARSSA-N 0 3 298.408 2.793 50 5 CFBAHN CC(C)N1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000095986635 185055947 /nfs/dbraw/zinc/05/59/47/185055947.db2.gz NNAHMPSCDQCQRN-JTQLQIEISA-N 0 3 269.370 2.799 50 5 CFBAHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000097033236 185156030 /nfs/dbraw/zinc/15/60/30/185156030.db2.gz YKLQMUKDJYENDI-MLGOLLRUSA-N 0 3 286.331 2.979 50 5 CFBAHN Cc1ccsc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090539523 540364899 /nfs/dbraw/zinc/36/48/99/540364899.db2.gz QEEKSRRFQQRHOW-JTQLQIEISA-N 0 3 280.353 2.512 50 5 CFBAHN O=[N+]([O-])c1ccccc1CNCCc1ccccc1 ZINC000019720505 372180623 /nfs/dbraw/zinc/18/06/23/372180623.db2.gz SOLIXLJHUXVLDH-UHFFFAOYSA-N 0 3 256.305 2.927 50 5 CFBAHN CN1CCC(Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034484383 372508987 /nfs/dbraw/zinc/50/89/87/372508987.db2.gz BMPMMHUSQNOVIK-UHFFFAOYSA-N 0 3 252.339 2.781 50 5 CFBAHN CO[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280355393 384989164 /nfs/dbraw/zinc/98/91/64/384989164.db2.gz TYLLFCKYNNLPSQ-HNNXBMFYSA-N 0 3 278.352 2.986 50 5 CFBAHN Cc1cc(NC[C@H](O)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083854 185525544 /nfs/dbraw/zinc/52/55/44/185525544.db2.gz WNUKTSUUXUCOCS-HNNXBMFYSA-N 0 3 287.319 2.634 50 5 CFBAHN O=[N+]([O-])c1cc2c(cc1CNC1CCCCC1)OCO2 ZINC000000263214 371571420 /nfs/dbraw/zinc/57/14/20/371571420.db2.gz RWRBTLMUPBWPFD-UHFFFAOYSA-N 0 3 278.308 2.746 50 5 CFBAHN O=[N+]([O-])c1ccc(CNCCc2nc3ccccc3[nH]2)cc1 ZINC000057353436 373590366 /nfs/dbraw/zinc/59/03/66/373590366.db2.gz FXHIRHYHHYJZRK-UHFFFAOYSA-N 0 3 296.330 2.803 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000000089721 296326065 /nfs/dbraw/zinc/32/60/65/296326065.db2.gz GDAHCVIMQPMWKX-MWLCHTKSSA-N 0 3 289.118 2.590 50 5 CFBAHN O=[N+]([O-])c1cccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c1 ZINC000004954513 170045317 /nfs/dbraw/zinc/04/53/17/170045317.db2.gz YZOKFPLLOVGJKR-ILXRZTDVSA-N 0 3 276.336 2.551 50 5 CFBAHN O=[N+]([O-])c1cccc(CNC[C@H]2OCCc3ccccc32)c1 ZINC000019720481 372180723 /nfs/dbraw/zinc/18/07/23/372180723.db2.gz OHTXWGMBBIFHDC-QGZVFWFLSA-N 0 3 298.342 2.998 50 5 CFBAHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000096477869 375488734 /nfs/dbraw/zinc/48/87/34/375488734.db2.gz QHWDYSAUPWDMQV-BIBXISHDSA-N 0 3 298.408 2.793 50 5 CFBAHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000096477862 375488763 /nfs/dbraw/zinc/48/87/63/375488763.db2.gz QHWDYSAUPWDMQV-YBTHPKLGSA-N 0 3 298.408 2.793 50 5 CFBAHN CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000004841359 170027867 /nfs/dbraw/zinc/02/78/67/170027867.db2.gz 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ZINC000057626681 373604604 /nfs/dbraw/zinc/60/46/04/373604604.db2.gz UOWWPXFQQFYTDW-GFCCVEGCSA-N 0 3 294.351 2.931 50 5 CFBAHN CC(C)N1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000170681457 379138182 /nfs/dbraw/zinc/13/81/82/379138182.db2.gz LLBLDHQURGWNQY-JTQLQIEISA-N 0 3 284.747 2.538 50 5 CFBAHN CC[C@@H](C)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004724458 170005926 /nfs/dbraw/zinc/00/59/26/170005926.db2.gz VENMOMFMTGMFAA-CYBMUJFWSA-N 0 3 277.368 2.511 50 5 CFBAHN C[C@@H](NCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284514730 196074614 /nfs/dbraw/zinc/07/46/14/196074614.db2.gz YSLXEYIAJIUYJJ-LLVKDONJSA-N 0 3 264.325 2.551 50 5 CFBAHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000236061337 527334691 /nfs/dbraw/zinc/33/46/91/527334691.db2.gz CUYWUNKPCGFQBQ-JSGCOSHPSA-N 0 3 296.754 2.905 50 5 CFBAHN Cc1ccsc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090539521 540364921 /nfs/dbraw/zinc/36/49/21/540364921.db2.gz QEEKSRRFQQRHOW-SNVBAGLBSA-N 0 3 280.353 2.512 50 5 CFBAHN CCC(CC)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000002735213 371748348 /nfs/dbraw/zinc/74/83/48/371748348.db2.gz KSHLXMCLENSXAA-UHFFFAOYSA-N 0 3 291.395 2.901 50 5 CFBAHN O=[N+]([O-])c1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000004143036 371836548 /nfs/dbraw/zinc/83/65/48/371836548.db2.gz OEMCAUYJTGBYHY-UHFFFAOYSA-N 0 3 289.379 2.655 50 5 CFBAHN COc1ccc(CN(C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089935655 374970907 /nfs/dbraw/zinc/97/09/07/374970907.db2.gz AKCJSRAIHSEAOV-NSHDSACASA-N 0 3 282.365 2.541 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000103410 296330447 /nfs/dbraw/zinc/33/04/47/296330447.db2.gz GEPOOLDNNSWCLG-GXSJLCMTSA-N 0 3 289.118 2.590 50 5 CFBAHN Cc1cc2c(N)c3ccc(N(C)C)cc3nc2cn1 ZINC000075249733 347062038 /nfs/dbraw/zinc/06/20/38/347062038.db2.gz BRUGWOOLQJWIGV-UHFFFAOYSA-N 0 3 252.321 2.740 50 5 CFBAHN O=[N+]([O-])c1cccc(CNCCCOc2ccccn2)c1 ZINC000057353381 373590509 /nfs/dbraw/zinc/59/05/09/373590509.db2.gz IFQNZVXQHUDRDO-UHFFFAOYSA-N 0 3 287.319 2.549 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2cccc(Cl)c2Cl)N1 ZINC000000088915 296330430 /nfs/dbraw/zinc/33/04/30/296330430.db2.gz QPZABJNXOHKDGE-KWQFWETISA-N 0 3 289.118 2.590 50 5 CFBAHN CCN1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000007365270 170279396 /nfs/dbraw/zinc/27/93/96/170279396.db2.gz JAPCGVWARHYVKZ-UHFFFAOYSA-N 0 3 291.351 2.694 50 5 CFBAHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000236061286 527334717 /nfs/dbraw/zinc/33/47/17/527334717.db2.gz CUYWUNKPCGFQBQ-GXTWGEPZSA-N 0 3 296.754 2.905 50 5 CFBAHN O=[N+]([O-])c1ccccc1N1CCN[C@H](c2ccccc2)C1 ZINC000019735928 280375396 /nfs/dbraw/zinc/37/53/96/280375396.db2.gz LWSPEGPKBZXBMF-AWEZNQCLSA-N 0 3 283.331 2.746 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Cl)c2Cl)N1 ZINC000000088921 371526667 /nfs/dbraw/zinc/52/66/67/371526667.db2.gz QPZABJNXOHKDGE-GZMMTYOYSA-N 0 3 289.118 2.590 50 5 CFBAHN O=[N+]([O-])c1ccccc1OCCNCc1ccccc1 ZINC000002823779 371756771 /nfs/dbraw/zinc/75/67/71/371756771.db2.gz UXPAWPCTTXTVDQ-UHFFFAOYSA-N 0 3 272.304 2.763 50 5 CFBAHN Cc1c(CN2CCCC[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000069563706 374074698 /nfs/dbraw/zinc/07/46/98/374074698.db2.gz YSPLHAMHAWNCDT-IUODEOHRSA-N 0 3 278.352 2.639 50 5 CFBAHN COC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000079091178 374594427 /nfs/dbraw/zinc/59/44/27/374594427.db2.gz LQXJCQZOPLZOAG-ZDUSSCGKSA-N 0 3 278.352 2.762 50 5 CFBAHN O=[N+]([O-])c1ccccc1N1CCN[C@@H](c2ccccc2)C1 ZINC000019735927 285164118 /nfs/dbraw/zinc/16/41/18/285164118.db2.gz LWSPEGPKBZXBMF-CQSZACIVSA-N 0 3 283.331 2.746 50 5 CFBAHN O=[N+]([O-])c1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000004954559 170045253 /nfs/dbraw/zinc/04/52/53/170045253.db2.gz XGNLARVGWABFDM-ILXRZTDVSA-N 0 3 276.336 2.551 50 5 CFBAHN CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000021363858 171303723 /nfs/dbraw/zinc/30/37/23/171303723.db2.gz UHLAYYPCGPTYQF-AWEZNQCLSA-N 0 3 286.335 2.705 50 5 CFBAHN O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000035287362 172104869 /nfs/dbraw/zinc/10/48/69/172104869.db2.gz BVUNFAAOQWGVQX-DLBZAZTESA-N 0 3 282.343 2.931 50 5 CFBAHN CC[C@H]1CN(C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000328596262 281156762 /nfs/dbraw/zinc/15/67/62/281156762.db2.gz ZMMZZTUJRPXBEP-AWEZNQCLSA-N 0 3 295.358 2.650 50 5 CFBAHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000236060323 527333960 /nfs/dbraw/zinc/33/39/60/527333960.db2.gz CUYWUNKPCGFQBQ-OCCSQVGLSA-N 0 3 296.754 2.905 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000000090303 371528416 /nfs/dbraw/zinc/52/84/16/371528416.db2.gz IRJMNOSUPWWKGI-NVXWUHKLSA-N 0 3 296.326 2.950 50 5 CFBAHN C[C@@H](C1CC1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000058379242 373652393 /nfs/dbraw/zinc/65/23/93/373652393.db2.gz CEIJRUNJIJNCAB-JTQLQIEISA-N 0 3 292.335 2.692 50 5 CFBAHN CO[C@H](C)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000221928624 382800324 /nfs/dbraw/zinc/80/03/24/382800324.db2.gz VKFRARMRNRBVHQ-CNNCQTGTSA-N 0 3 264.325 2.621 50 5 CFBAHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419601 393827234 /nfs/dbraw/zinc/82/72/34/393827234.db2.gz OBBOTOKGIOHAGX-KFWWJZLASA-N 0 3 290.363 2.840 50 5 CFBAHN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000004914174 170040702 /nfs/dbraw/zinc/04/07/02/170040702.db2.gz JDKFPRBSGOJVIC-GFCCVEGCSA-N 0 3 264.325 2.706 50 5 CFBAHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000020474785 171219341 /nfs/dbraw/zinc/21/93/41/171219341.db2.gz HEMABAGTEOBYQQ-LLVKDONJSA-N 0 3 267.304 2.630 50 5 CFBAHN C[C@@H](N)c1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000095831113 185029629 /nfs/dbraw/zinc/02/96/29/185029629.db2.gz PWWXIPHYCOCUMG-RXMQYKEDSA-N 0 3 250.176 2.513 50 5 CFBAHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000012764392 393474943 /nfs/dbraw/zinc/47/49/43/393474943.db2.gz QJHWBIYFNFAQNM-NSHDSACASA-N 0 3 292.364 2.766 50 5 CFBAHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000012765512 273815302 /nfs/dbraw/zinc/81/53/02/273815302.db2.gz JJINFCLNJMLEOC-CQSZACIVSA-N 0 3 286.335 2.705 50 5 CFBAHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236060282 527334703 /nfs/dbraw/zinc/33/47/03/527334703.db2.gz CUYWUNKPCGFQBQ-TZMCWYRMSA-N 0 3 296.754 2.905 50 5 CFBAHN CC(C)N1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000095986634 185056621 /nfs/dbraw/zinc/05/66/21/185056621.db2.gz NNAHMPSCDQCQRN-SNVBAGLBSA-N 0 3 269.370 2.799 50 5 CFBAHN CN(C)Cc1ccnc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000097045298 375500192 /nfs/dbraw/zinc/50/01/92/375500192.db2.gz VURFILTTXIWDCO-UHFFFAOYSA-N 0 3 286.335 2.664 50 5 CFBAHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096419603 393827054 /nfs/dbraw/zinc/82/70/54/393827054.db2.gz OBBOTOKGIOHAGX-ZNMIVQPWSA-N 0 3 290.363 2.840 50 5 CFBAHN COCC(C)(C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000066996052 175767802 /nfs/dbraw/zinc/76/78/02/175767802.db2.gz DGUSCNWACWTQJT-UHFFFAOYSA-N 0 3 272.732 2.763 50 5 CFBAHN CCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-] ZINC000001816304 371707729 /nfs/dbraw/zinc/70/77/29/371707729.db2.gz KMNDFMMYEPEZNX-UHFFFAOYSA-N 0 3 295.364 2.576 50 5 CFBAHN CN(Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000019832295 372191922 /nfs/dbraw/zinc/19/19/22/372191922.db2.gz SLDBHEPECWDJHV-INIZCTEOSA-N 0 3 286.331 2.760 50 5 CFBAHN CO[C@@H](C)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000170604574 379126596 /nfs/dbraw/zinc/12/65/96/379126596.db2.gz VKFRARMRNRBVHQ-BIVWETNQSA-N 0 3 264.325 2.621 50 5 CFBAHN CC[C@@H]1CN(C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000328596263 287183487 /nfs/dbraw/zinc/18/34/87/287183487.db2.gz ZMMZZTUJRPXBEP-CQSZACIVSA-N 0 3 295.358 2.650 50 5 CFBAHN CC(C)(NCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccco1 ZINC000096027966 347700645 /nfs/dbraw/zinc/70/06/45/347700645.db2.gz YVVISSIDALDEQZ-AWEZNQCLSA-N 0 3 290.319 2.790 50 5 CFBAHN CC[NH2+]CCCc1oc2ccc([O-])cc2c1[N+](=O)[O-] ZINC000002269123 371722479 /nfs/dbraw/zinc/72/24/79/371722479.db2.gz UOYPRMHWMXTUOP-UHFFFAOYSA-N 0 3 264.281 2.589 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Cl)c2Cl)N1 ZINC000000088925 296326131 /nfs/dbraw/zinc/32/61/31/296326131.db2.gz QPZABJNXOHKDGE-LDYMZIIASA-N 0 3 289.118 2.590 50 5 CFBAHN CCN(CC)CCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000025503899 346260343 /nfs/dbraw/zinc/26/03/43/346260343.db2.gz GYNFZFCMUGBNNR-UHFFFAOYSA-N 0 3 250.298 2.509 50 5 CFBAHN Cc1c(CN2CCCC[C@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000106669752 186131165 /nfs/dbraw/zinc/13/11/65/186131165.db2.gz YSPLHAMHAWNCDT-WFASDCNBSA-N 0 3 278.352 2.639 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000000090294 371528455 /nfs/dbraw/zinc/52/84/55/371528455.db2.gz IRJMNOSUPWWKGI-RDJZCZTQSA-N 0 3 296.326 2.950 50 5 CFBAHN COc1ccccc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000019841303 372198448 /nfs/dbraw/zinc/19/84/48/372198448.db2.gz PBRPQLHLEAJEHK-UHFFFAOYSA-N 0 3 286.331 2.936 50 5 CFBAHN O=[N+]([O-])c1cccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)c1 ZINC000223985408 382808342 /nfs/dbraw/zinc/80/83/42/382808342.db2.gz YZOKFPLLOVGJKR-SOUVJXGZSA-N 0 3 276.336 2.551 50 5 CFBAHN CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1cccs1 ZINC000008063682 170317040 /nfs/dbraw/zinc/31/70/40/170317040.db2.gz ZRLACIZPHXLJLC-NSHDSACASA-N 0 3 292.364 2.766 50 5 CFBAHN C[C@H](NCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284514734 196074011 /nfs/dbraw/zinc/07/40/11/196074011.db2.gz YSLXEYIAJIUYJJ-NSHDSACASA-N 0 3 264.325 2.551 50 5 CFBAHN O=[N+]([O-])c1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1 ZINC000003145450 280369726 /nfs/dbraw/zinc/36/97/26/280369726.db2.gz XGNLARVGWABFDM-QLFBSQMISA-N 0 3 276.336 2.551 50 5 CFBAHN O=[N+]([O-])c1cccc(CNC[C@@H]2OCCc3ccccc32)c1 ZINC000019720480 372180682 /nfs/dbraw/zinc/18/06/82/372180682.db2.gz OHTXWGMBBIFHDC-KRWDZBQOSA-N 0 3 298.342 2.998 50 5 CFBAHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000053435183 373476822 /nfs/dbraw/zinc/47/68/22/373476822.db2.gz PLGCIRLBLMXGGX-UHFFFAOYSA-N 0 3 292.335 2.836 50 5 CFBAHN Cc1cc(NC[C@H](C)CCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083894 375510425 /nfs/dbraw/zinc/51/04/25/375510425.db2.gz OPTMZTKOGNDPKB-SNVBAGLBSA-N 0 3 289.335 2.882 50 5 CFBAHN O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000000103407 296330468 /nfs/dbraw/zinc/33/04/68/296330468.db2.gz GEPOOLDNNSWCLG-ONGXEEELSA-N 0 3 289.118 2.590 50 5 CFBAHN