smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@H](C)NCc2ncnn2C)cccc1[N+](=O)[O-] ZINC000095968758 185048026 /nfs/dbraw/zinc/04/80/26/185048026.db2.gz LUAHKWMMQGENLY-JTQLQIEISA-N 0 0 275.312 1.883 50 5 CDBARN CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000036391219 362043636 /nfs/dbraw/zinc/04/36/36/362043636.db2.gz HBBNRCWDVIUEKX-UHFFFAOYSA-N 0 0 252.274 1.050 50 5 CDBARN O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000585124052 362053802 /nfs/dbraw/zinc/05/38/02/362053802.db2.gz SZISOHKFNBJURH-AOOOYVTPSA-N 0 0 261.281 1.485 50 5 CDBARN O=C(NN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005670754 295702443 /nfs/dbraw/zinc/70/24/43/295702443.db2.gz SJRROKFUAYUODK-UHFFFAOYSA-N 0 0 285.687 1.225 50 5 CDBARN CN(C)c1cc(N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005319209 282278787 /nfs/dbraw/zinc/27/87/87/282278787.db2.gz JLSPGMLWFNRONS-UHFFFAOYSA-N 0 0 254.246 1.635 50 5 CDBARN CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000005025326 282313393 /nfs/dbraw/zinc/31/33/93/282313393.db2.gz XHSMUGMXKDYJKA-UHFFFAOYSA-N 0 0 266.305 1.023 50 5 CDBARN CON(C)C(=O)[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000218115611 344859760 /nfs/dbraw/zinc/85/97/60/344859760.db2.gz KGXGWVIKULLBRL-QWRGUYRKSA-N 0 0 250.254 1.718 50 5 CDBARN Cc1nnn2c1SCC(c1cccc([N+](=O)[O-])c1)=N2 ZINC000005792725 282369702 /nfs/dbraw/zinc/36/97/02/282369702.db2.gz ILCGHDYEGDYPPZ-UHFFFAOYSA-N 0 0 275.293 1.853 50 5 CDBARN O=[N+]([O-])c1cnc(N2CCC[C@H](Cn3ccnn3)C2)s1 ZINC000192505887 362640800 /nfs/dbraw/zinc/64/08/00/362640800.db2.gz NHPQPHIJTKFIQP-VIFPVBQESA-N 0 0 294.340 1.559 50 5 CDBARN CN(C)C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003330385 363153134 /nfs/dbraw/zinc/15/31/34/363153134.db2.gz PWJMYMBZIHZADO-VMPITWQZSA-N 0 0 278.264 1.239 50 5 CDBARN Cc1ccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000032736473 356357858 /nfs/dbraw/zinc/35/78/58/356357858.db2.gz KNSQMUZAFRETFC-KCJUWKMLSA-N 0 0 279.248 1.764 50 5 CDBARN CN(Cc1nnnn1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000032825449 356382904 /nfs/dbraw/zinc/38/29/04/356382904.db2.gz VTOLHAJLOAQISD-UHFFFAOYSA-N 0 0 288.311 1.548 50 5 CDBARN CCOc1ccc(C(=O)COC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 ZINC000032933341 356461304 /nfs/dbraw/zinc/46/13/04/356461304.db2.gz RHMGFXKVVWOSIG-NEPJUHHUSA-N 0 0 293.275 1.476 50 5 CDBARN Nc1n[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000013497384 356979217 /nfs/dbraw/zinc/97/92/17/356979217.db2.gz MFCVRIKTZQSBOJ-UHFFFAOYSA-N 0 0 279.281 1.270 50 5 CDBARN NC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000095429696 357442888 /nfs/dbraw/zinc/44/28/88/357442888.db2.gz KNHLLLSAOIGUBH-APPZFPTMSA-N 0 0 267.260 1.800 50 5 CDBARN COC(=O)c1ccc(N[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000004668692 357679945 /nfs/dbraw/zinc/67/99/45/357679945.db2.gz SLZDOUXYQXNESI-ZETCQYMHSA-N 0 0 282.252 1.355 50 5 CDBARN O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC000004774795 358262669 /nfs/dbraw/zinc/26/26/69/358262669.db2.gz URJOIZFTDVMRNQ-UHFFFAOYSA-N 0 0 262.181 1.198 50 5 CDBARN Cc1cc(N2C[C@@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000108111919 358732354 /nfs/dbraw/zinc/73/23/54/358732354.db2.gz OPTFNILFDLBIRT-PWSUYJOCSA-N 0 0 266.297 1.489 50 5 CDBARN CCOC(=O)C(O)=CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100025755 358817764 /nfs/dbraw/zinc/81/77/64/358817764.db2.gz NHCJSIZCCDVCLU-UHFFFAOYSA-N 0 0 265.221 1.300 50 5 CDBARN Cc1ccc(NC(=O)c2c([N+](=O)[O-])ncn2C)cc1 ZINC000000139502 359133575 /nfs/dbraw/zinc/13/35/75/359133575.db2.gz GYYFMBMQUDVADS-UHFFFAOYSA-N 0 0 260.253 1.889 50 5 CDBARN CCc1nc(C)cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000263827 359413234 /nfs/dbraw/zinc/41/32/34/359413234.db2.gz VDFAVLBYKKJMEJ-UHFFFAOYSA-N 0 0 295.320 1.899 50 5 CDBARN C[C@@H]1OC[C@@H]2ON(C)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2CO1 ZINC000248018508 360320015 /nfs/dbraw/zinc/32/00/15/360320015.db2.gz LEEHOBZPJJDMHG-HBEIAFGSSA-N 0 0 294.307 1.891 50 5 CDBARN CCN(C)c1ccccc1CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000248269213 360480612 /nfs/dbraw/zinc/48/06/12/360480612.db2.gz UVSWUELWOYFFON-WCQYABFASA-N 0 0 277.324 1.424 50 5 CDBARN COc1cc2c(CCNC(C)=O)c[nH]c2cc1[N+](=O)[O-] ZINC000001514066 361540065 /nfs/dbraw/zinc/54/00/65/361540065.db2.gz BCLGLBCJLIBAHF-UHFFFAOYSA-N 0 0 277.280 1.763 50 5 CDBARN CC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000003884164 364988953 /nfs/dbraw/zinc/98/89/53/364988953.db2.gz XVHYVLUSJNHBKN-UHFFFAOYSA-N 0 0 250.254 1.634 50 5 CDBARN Nc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-] ZINC000003912531 365411214 /nfs/dbraw/zinc/41/12/14/365411214.db2.gz SIARGSJQSRUOFI-UHFFFAOYSA-N 0 0 259.269 1.622 50 5 CDBARN O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCC1 ZINC000002780304 169829650 /nfs/dbraw/zinc/82/96/50/169829650.db2.gz DIEYNVQVYURPEV-UHFFFAOYSA-N 0 0 266.301 1.630 50 5 CDBARN O=C(C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382187 373966424 /nfs/dbraw/zinc/96/64/24/373966424.db2.gz BRQOQOJUSJVEJV-UHFFFAOYSA-N 0 0 275.308 1.653 50 5 CDBARN O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1 ZINC000019850956 374807710 /nfs/dbraw/zinc/80/77/10/374807710.db2.gz BERKHGFFGHNCSO-UHFFFAOYSA-N 0 0 252.270 1.306 50 5 CDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C ZINC000003250860 375603580 /nfs/dbraw/zinc/60/35/80/375603580.db2.gz LQUUSJPIOOSLKP-MRVPVSSYSA-N 0 0 267.285 1.492 50 5 CDBARN COC(=O)C(C)(C)ONC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004164000 377072281 /nfs/dbraw/zinc/07/22/81/377072281.db2.gz PHZGGGDVACMPGH-UHFFFAOYSA-N 0 0 297.267 1.600 50 5 CDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccn1 ZINC000000209650 169575575 /nfs/dbraw/zinc/57/55/75/169575575.db2.gz IHMYKDIATKXECK-UHFFFAOYSA-N 0 0 271.276 1.849 50 5 CDBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(Cl)c1 ZINC000000312551 169605343 /nfs/dbraw/zinc/60/53/43/169605343.db2.gz WVNSWBCYNDAWLS-UHFFFAOYSA-N 0 0 281.659 1.478 50 5 CDBARN O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000002788607 296326133 /nfs/dbraw/zinc/32/61/33/296326133.db2.gz HNPKDEDJNOBPTB-KOLCDFICSA-N 0 0 265.225 1.191 50 5 CDBARN O=C(Cn1nnc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000000411709 169634322 /nfs/dbraw/zinc/63/43/22/169634322.db2.gz IUULABANWNRWMH-UHFFFAOYSA-N 0 0 297.274 1.978 50 5 CDBARN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cccs1 ZINC000004775597 184532156 /nfs/dbraw/zinc/53/21/56/184532156.db2.gz LWJZMBJVRPAFRN-UHFFFAOYSA-N 0 0 266.282 1.320 50 5 CDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnsn1 ZINC000001790879 533228414 /nfs/dbraw/zinc/22/84/14/533228414.db2.gz YMDWKEZYZGACRB-UHFFFAOYSA-N 0 0 280.265 1.707 50 5 CDBARN O=[N+]([O-])c1cnn(C[C@@H](O)COCc2cccs2)c1 ZINC000095438790 184985280 /nfs/dbraw/zinc/98/52/80/184985280.db2.gz DZOYKAYCCPQNTF-SNVBAGLBSA-N 0 0 283.309 1.431 50 5 CDBARN Cc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000019161078 391650384 /nfs/dbraw/zinc/65/03/84/391650384.db2.gz LYRBNXNTLFXQLE-UHFFFAOYSA-N 0 0 258.237 1.946 50 5 CDBARN COCCCNC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000013686939 292362742 /nfs/dbraw/zinc/36/27/42/292362742.db2.gz ISSKTYHUAVJQLK-UHFFFAOYSA-N 0 0 269.326 1.918 50 5 CDBARN CC1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C ZINC000003124909 169858377 /nfs/dbraw/zinc/85/83/77/169858377.db2.gz JJHPPFAYJBSFNS-SNVBAGLBSA-N 0 0 292.251 1.799 50 5 CDBARN COCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000004264088 169950842 /nfs/dbraw/zinc/95/08/42/169950842.db2.gz RVUJWKHMGRHUDB-UHFFFAOYSA-N 0 0 277.280 1.505 50 5 CDBARN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccccc2)n1 ZINC000004742743 170009821 /nfs/dbraw/zinc/00/98/21/170009821.db2.gz RLIPMRGVUSGKCL-UHFFFAOYSA-N 0 0 288.307 1.784 50 5 CDBARN CCOC(=O)COc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004782706 170016173 /nfs/dbraw/zinc/01/61/73/170016173.db2.gz QBYXAGLOVQEIHW-UHFFFAOYSA-N 0 0 269.209 1.265 50 5 CDBARN O=C1[C@H]2CCCN2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000004788310 170017886 /nfs/dbraw/zinc/01/78/86/170017886.db2.gz ICCAFCAQXZNLJD-LLVKDONJSA-N 0 0 275.264 1.521 50 5 CDBARN CC1=NNC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000004820992 170023111 /nfs/dbraw/zinc/02/31/11/170023111.db2.gz AQOUJFSYFNWPLO-VIFPVBQESA-N 0 0 290.279 1.435 50 5 CDBARN Cc1onc(C(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC000004937376 170042597 /nfs/dbraw/zinc/04/25/97/170042597.db2.gz KSHBLOBHIQVQNY-UHFFFAOYSA-N 0 0 253.258 1.954 50 5 CDBARN CCOC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000004973916 170047313 /nfs/dbraw/zinc/04/73/13/170047313.db2.gz NLWFRFDCQXKEGZ-UHFFFAOYSA-N 0 0 256.189 1.236 50 5 CDBARN O=C(NN1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006330172 170191907 /nfs/dbraw/zinc/19/19/07/170191907.db2.gz AQTAWVQDCCNFDW-UHFFFAOYSA-N 0 0 285.687 1.225 50 5 CDBARN COc1n[nH]c(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000006786444 170243617 /nfs/dbraw/zinc/24/36/17/170243617.db2.gz ROAFKWBZVLZVRF-UHFFFAOYSA-N 0 0 298.205 1.857 50 5 CDBARN NC(=O)NCCCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000007981849 170311760 /nfs/dbraw/zinc/31/17/60/170311760.db2.gz SRIPOXKKMROEPH-UHFFFAOYSA-N 0 0 281.268 1.087 50 5 CDBARN CCCCOC(=O)c1c(C)c([N+](=O)[O-])c(C)[nH]c1=O ZINC000008856129 170357816 /nfs/dbraw/zinc/35/78/16/170357816.db2.gz NSZBCBDQKDUTAG-UHFFFAOYSA-N 0 0 268.269 1.857 50 5 CDBARN O=[N+]([O-])c1cn(Cc2nc(-c3ccsc3)no2)cn1 ZINC000012535425 170494417 /nfs/dbraw/zinc/49/44/17/170494417.db2.gz NVBWFXVGMLBHBT-UHFFFAOYSA-N 0 0 277.265 1.951 50 5 CDBARN O=[N+]([O-])c1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000004819052 275041103 /nfs/dbraw/zinc/04/11/03/275041103.db2.gz PFKYFMFJRJFUEL-UHFFFAOYSA-N 0 0 285.307 1.711 50 5 CDBARN CNc1nc(N2C[C@H](C)C[C@@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000004140224 277305536 /nfs/dbraw/zinc/30/55/36/277305536.db2.gz LFGFGDKYCZDYHJ-HTQZYQBOSA-N 0 0 280.332 1.491 50 5 CDBARN Cc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C ZINC000000161540 281163282 /nfs/dbraw/zinc/16/32/82/281163282.db2.gz VEAHLOKWQPAIHN-UHFFFAOYSA-N 0 0 255.277 1.094 50 5 CDBARN COc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)c1 ZINC000000089601 295227377 /nfs/dbraw/zinc/22/73/77/295227377.db2.gz BGHATRKYYKUFPI-MFKMUULPSA-N 0 0 280.280 1.300 50 5 CDBARN Nc1cc2n(n1)CCCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000952994939 679090615 /nfs/dbraw/zinc/09/06/15/679090615.db2.gz XEYQWDWNSVKCNN-UHFFFAOYSA-N 0 0 291.286 1.923 50 5 CDBARN CC(C)NC(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000034690193 679355149 /nfs/dbraw/zinc/35/51/49/679355149.db2.gz YSMRAJREVGQNFE-SREVYHEPSA-N 0 0 292.291 1.676 50 5 CDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(F)c1 ZINC000001423777 230366781 /nfs/dbraw/zinc/36/67/81/230366781.db2.gz QRDZZOUXLQFEAJ-UHFFFAOYSA-N 0 0 282.206 1.708 50 5 CDBARN Cc1ccc([N+](=O)[O-])c(N[C@H](C(N)=O)C(C)C)c1 ZINC000095975057 185051036 /nfs/dbraw/zinc/05/10/36/185051036.db2.gz RQYPOIPCRMOQPE-NSHDSACASA-N 0 0 251.286 1.825 50 5 CDBARN O=[N+]([O-])c1ccsc1Nc1cnn(CCO)c1 ZINC000095986626 185055854 /nfs/dbraw/zinc/05/58/54/185055854.db2.gz OIRAXMKFUMFXJF-UHFFFAOYSA-N 0 0 254.271 1.589 50 5 CDBARN COC[C@@H](C)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024234767 361904926 /nfs/dbraw/zinc/90/49/26/361904926.db2.gz GUFSGBDJXQRHDM-MRVPVSSYSA-N 0 0 253.258 1.751 50 5 CDBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1CCO ZINC000000367826 342301371 /nfs/dbraw/zinc/30/13/71/342301371.db2.gz ZPCOTPUVDFRXIY-LLVKDONJSA-N 0 0 268.294 1.161 50 5 CDBARN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000096501987 529928416 /nfs/dbraw/zinc/92/84/16/529928416.db2.gz ZAZKJVSNTXEBGS-UHFFFAOYSA-N 0 0 298.364 1.853 50 5 CDBARN Nc1cc(F)c(I)cc1[N+](=O)[O-] ZINC000085107434 178950932 /nfs/dbraw/zinc/95/09/32/178950932.db2.gz VYUKTTWGCYDBIV-UHFFFAOYSA-N 0 0 282.012 1.921 50 5 CDBARN CCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000089280057 179764837 /nfs/dbraw/zinc/76/48/37/179764837.db2.gz DDGNRYIMPSNLCC-UHFFFAOYSA-N 0 0 292.299 1.414 50 5 CDBARN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCOC[C@@H]1C ZINC000110587859 186304377 /nfs/dbraw/zinc/30/43/77/186304377.db2.gz XRCMNIMYAJWEJK-MNOVXSKESA-N 0 0 280.328 1.511 50 5 CDBARN COc1cc(Br)c2nonc2c1[N+](=O)[O-] ZINC000005248620 363282444 /nfs/dbraw/zinc/28/24/44/363282444.db2.gz PAMJWYUFNZBQDM-UHFFFAOYSA-N 0 0 274.030 1.902 50 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258.237 1.431 50 5 CDBARN CS(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000020666763 171269424 /nfs/dbraw/zinc/26/94/24/171269424.db2.gz NFFJVDNGUYBEIE-UHFFFAOYSA-N 0 0 267.266 1.184 50 5 CDBARN Nc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000025060102 171448322 /nfs/dbraw/zinc/44/83/22/171448322.db2.gz PUXVZYLSAAKXAP-UHFFFAOYSA-N 0 0 297.274 1.911 50 5 CDBARN COC(=O)CSc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000026692449 171496161 /nfs/dbraw/zinc/49/61/61/171496161.db2.gz ZPNDONPJISSUMI-UHFFFAOYSA-N 0 0 284.297 1.224 50 5 CDBARN CCN(C[C@@H](C)C(=O)OC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000096482721 276135280 /nfs/dbraw/zinc/13/52/80/276135280.db2.gz MEEWBBIKBBYWFN-SNVBAGLBSA-N 0 0 281.312 1.934 50 5 CDBARN CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247247 277015714 /nfs/dbraw/zinc/01/57/14/277015714.db2.gz YWNKGZWXPKMDTH-UHFFFAOYSA-N 0 0 259.059 1.717 50 5 CDBARN C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000012997756 290396937 /nfs/dbraw/zinc/39/69/37/290396937.db2.gz HGXLTUMRMMOLGO-JTQLQIEISA-N 0 0 288.307 1.982 50 5 CDBARN C[C@@H]1[C@@H](C)CCN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000097376209 297689185 /nfs/dbraw/zinc/68/91/85/297689185.db2.gz JSOJFPRXULAQEF-DTWKUNHWSA-N 0 0 299.352 1.477 50 5 CDBARN O=C1C=CC[C@@H]2[C@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@@H]34 ZINC000238809353 304620010 /nfs/dbraw/zinc/62/00/10/304620010.db2.gz QMGGMESMCJCABO-JARXUMMXSA-N 0 0 262.353 1.660 50 5 biogenic,in-vitro CDBARN COc1cc(C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000038996 482456647 /nfs/dbraw/zinc/45/66/47/482456647.db2.gz HFSMXILHWHTYTG-UHFFFAOYSA-N 0 0 296.279 1.084 50 5 CDBARN C/C=C\C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033778370 617786040 /nfs/dbraw/zinc/78/60/40/617786040.db2.gz QMQOPUIYKADQEX-DJWKRKHSSA-N 0 0 264.237 1.653 50 5 CDBARN Cc1cc([N+](=O)[O-])cc2nc(N3CCOCC3)oc21 ZINC001772491488 1187279162 /nfs/dbraw/zinc/27/91/62/1187279162.db2.gz OKKNINFVLYUEPZ-UHFFFAOYSA-N 0 0 263.253 1.881 50 5 CDBARN O=c1cc([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000585092769 930923006 /nfs/dbraw/zinc/92/30/06/930923006.db2.gz NAHBUGYGHYFGTF-MRVPVSSYSA-N 0 0 275.268 1.412 50 5 CDBARN O=[N+]([O-])c1ccc(CN2CCn3nccc3C2)cc1 ZINC000585122456 930988326 /nfs/dbraw/zinc/98/83/26/930988326.db2.gz JLPGKOICSCHLCE-UHFFFAOYSA-N 0 0 258.281 1.807 50 5 CDBARN COCCN(CC(C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000096483171 230380560 /nfs/dbraw/zinc/38/05/60/230380560.db2.gz KGDMYUULUSJHTK-UHFFFAOYSA-N 0 0 269.305 1.076 50 5 CDBARN C[C@@H]1CCC(C)(C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408520305 230404313 /nfs/dbraw/zinc/40/43/13/230404313.db2.gz LGUJCEUTLPTYBI-SECBINFHSA-N 0 0 266.301 1.581 50 5 CDBARN Cc1cc(NCC2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-] ZINC000095975085 185050635 /nfs/dbraw/zinc/05/06/35/185050635.db2.gz VFLPTMQHOZHGKX-UHFFFAOYSA-N 0 0 299.352 1.535 50 5 CDBARN C[C@@H](CO)[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000585098974 362037640 /nfs/dbraw/zinc/03/76/40/362037640.db2.gz YUAHPOBFZYHLDU-GXSJLCMTSA-N 0 0 266.301 1.372 50 5 CDBARN CNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 ZINC000005219317 362246521 /nfs/dbraw/zinc/24/65/21/362246521.db2.gz XAZOZCZNOBUXGE-SSDOTTSWSA-N 0 0 266.305 1.245 50 5 CDBARN Cc1nn([C@@H](C)C(=O)NCc2ccco2)c(C)c1[N+](=O)[O-] ZINC000001070545 362522881 /nfs/dbraw/zinc/52/28/81/362522881.db2.gz BEOZSGVHJXIYFN-JTQLQIEISA-N 0 0 292.295 1.879 50 5 CDBARN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCc2ccccc21 ZINC000001067375 362525897 /nfs/dbraw/zinc/52/58/97/362525897.db2.gz ZWEDYXDTQVYRKA-UHFFFAOYSA-N 0 0 286.291 1.771 50 5 CDBARN O=[N+]([O-])c1cccc(CN2CCOC23COC3)c1 ZINC000211332842 345488499 /nfs/dbraw/zinc/48/84/99/345488499.db2.gz UGJHAJQCLLDTAG-UHFFFAOYSA-N 0 0 250.254 1.154 50 5 CDBARN Cc1ccc(S(=O)(=O)n2cccc2[N+](=O)[O-])cc1 ZINC000196844162 348755196 /nfs/dbraw/zinc/75/51/96/348755196.db2.gz DYDHHXIHVGYNKP-UHFFFAOYSA-N 0 0 266.278 1.942 50 5 CDBARN CCOC(=O)c1cc(=O)n(C)c2c3ccccc3oc(=O)c12 ZINC000000174014 355893387 /nfs/dbraw/zinc/89/33/87/355893387.db2.gz WWSGSJLRYYGJBS-UHFFFAOYSA-N 0 0 299.282 1.822 50 5 CDBARN COC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004520904 356383870 /nfs/dbraw/zinc/38/38/70/356383870.db2.gz RXDDNUKGTCKLDT-ZCFIWIBFSA-N 0 0 269.213 1.476 50 5 CDBARN COC(=O)c1occc1Cn1cnc([N+](=O)[O-])c1 ZINC000026981820 356701852 /nfs/dbraw/zinc/70/18/52/356701852.db2.gz UEPMQSFWVZNFKV-UHFFFAOYSA-N 0 0 251.198 1.219 50 5 CDBARN COc1cc(N[C@@H]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000095429699 357442788 /nfs/dbraw/zinc/44/27/88/357442788.db2.gz QJZFFNAJAUMUMW-NXEZZACHSA-N 0 0 279.296 1.669 50 5 CDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCCOC ZINC000011288566 358184383 /nfs/dbraw/zinc/18/43/83/358184383.db2.gz RSOVNLRYTHMGST-UHFFFAOYSA-N 0 0 254.242 1.440 50 5 CDBARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1CC1CC1 ZINC000071771645 358846278 /nfs/dbraw/zinc/84/62/78/358846278.db2.gz ROEVKGGMILGALV-BENRWUELSA-N 0 0 270.314 1.498 50 5 CDBARN COc1ccc(OC)c(Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000012778249 359099808 /nfs/dbraw/zinc/09/98/08/359099808.db2.gz DNICVCNFSOECPV-UHFFFAOYSA-N 0 0 290.275 1.822 50 5 CDBARN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000000183287 359262595 /nfs/dbraw/zinc/26/25/95/359262595.db2.gz FJYZQTKHFHDBEO-NXEZZACHSA-N 0 0 264.281 1.844 50 5 CDBARN COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000000376503 359636018 /nfs/dbraw/zinc/63/60/18/359636018.db2.gz LHDAGJMNDFOXNS-UHFFFAOYSA-N 0 0 290.279 1.747 50 5 CDBARN NC(CCO)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000408518586 359909266 /nfs/dbraw/zinc/90/92/66/359909266.db2.gz OYBIQHPYTSVYBE-UHFFFAOYSA-N 0 0 275.211 1.254 50 5 CDBARN O=C1CCC(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000089762103 366929481 /nfs/dbraw/zinc/92/94/81/366929481.db2.gz LQMFENNMSDLEAG-UHFFFAOYSA-N 0 0 292.247 1.110 50 5 CDBARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccncc1[N+](=O)[O-] ZINC000241262014 368975904 /nfs/dbraw/zinc/97/59/04/368975904.db2.gz LAOKBYFBBFJDKS-UMNHJUIQSA-N 0 0 290.323 1.613 50 5 CDBARN COC(=O)/C=C/OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002585604 375260069 /nfs/dbraw/zinc/26/00/69/375260069.db2.gz LQMGFOZCJPSYBM-VOTSOKGWSA-N 0 0 251.194 1.438 50 5 CDBARN COCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000002965632 375493936 /nfs/dbraw/zinc/49/39/36/375493936.db2.gz KERBAXNKOWYIJK-UHFFFAOYSA-N 0 0 297.314 1.224 50 5 CDBARN CCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000003300509 375635105 /nfs/dbraw/zinc/63/51/05/375635105.db2.gz DSRSKIYKICMWSA-BQYQJAHWSA-N 0 0 278.264 1.287 50 5 CDBARN Cc1nnc(Sc2nc([N+](=O)[O-])nn2C)s1 ZINC000003655877 375775796 /nfs/dbraw/zinc/77/57/96/375775796.db2.gz PBNLEVKUOHIVDA-UHFFFAOYSA-N 0 0 258.288 1.034 50 5 CDBARN CCc1ccc(C(=O)NCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000089286495 376877412 /nfs/dbraw/zinc/87/74/12/376877412.db2.gz SXFHIQATZVJSSI-UHFFFAOYSA-N 0 0 275.268 1.205 50 5 CDBARN Cc1cccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)n1 ZINC000001422047 378463948 /nfs/dbraw/zinc/46/39/48/378463948.db2.gz SMQFDEQAZJZWJB-UHFFFAOYSA-N 0 0 289.295 1.914 50 5 CDBARN O=c1oc2ccccc2c2nc(N3CCOCC3)ncc12 ZINC000004784951 285229365 /nfs/dbraw/zinc/22/93/65/285229365.db2.gz SSXRSVUXVUHKTM-UHFFFAOYSA-N 0 0 283.287 1.573 50 5 CDBARN O=C1NCCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000096412855 256765504 /nfs/dbraw/zinc/76/55/04/256765504.db2.gz MYRCOCRRAYUAEX-VIFPVBQESA-N 0 0 284.703 1.724 50 5 CDBARN Cc1cnc(N[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000095430294 184982017 /nfs/dbraw/zinc/98/20/17/184982017.db2.gz FWNFFMNEVJAPSH-NXEZZACHSA-N 0 0 278.312 1.754 50 5 CDBARN CCOCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002728016 286070335 /nfs/dbraw/zinc/07/03/35/286070335.db2.gz ULWDFPWCXJZVJC-UHFFFAOYSA-N 0 0 288.325 1.300 50 5 CDBARN COc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000004686726 169998566 /nfs/dbraw/zinc/99/85/66/169998566.db2.gz PJHVALSOIBIQJA-VIFPVBQESA-N 0 0 290.279 2.000 50 5 CDBARN COc1ccc(O[C@H](C)C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000005429548 170098414 /nfs/dbraw/zinc/09/84/14/170098414.db2.gz VWOLEXJKVYLQIZ-SNVBAGLBSA-N 0 0 294.307 1.993 50 5 CDBARN Cc1cc(C)c(S(=O)(=O)n2cnc([N+](=O)[O-])c2)c(C)c1 ZINC000006489927 170205918 /nfs/dbraw/zinc/20/59/18/170205918.db2.gz PAKWZTBBQYPFSX-UHFFFAOYSA-N 0 0 295.320 1.954 50 5 CDBARN CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000007366557 170279400 /nfs/dbraw/zinc/27/94/00/170279400.db2.gz QEHRKRLIXJBSME-UHFFFAOYSA-N 0 0 251.286 1.921 50 5 CDBARN COC[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000008317624 170330488 /nfs/dbraw/zinc/33/04/88/170330488.db2.gz QERWBIHZVYXEES-LURJTMIESA-N 0 0 256.287 1.751 50 5 CDBARN O=[N+]([O-])c1ccccc1OCCOCCN1CCOCC1 ZINC000019637748 170833282 /nfs/dbraw/zinc/83/32/82/170833282.db2.gz SJSNLIURYBPPED-UHFFFAOYSA-N 0 0 296.323 1.322 50 5 CDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1nccnc1CO ZINC000020319851 171149011 /nfs/dbraw/zinc/14/90/11/171149011.db2.gz OKOTVEPTYMYLRE-UHFFFAOYSA-N 0 0 274.236 1.129 50 5 CDBARN O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000020474762 171218621 /nfs/dbraw/zinc/21/86/21/171218621.db2.gz PKVUZBXAWDOQEG-SSDOTTSWSA-N 0 0 274.273 1.333 50 5 CDBARN COCCn1ccc2c(cnc3nc4ccccc4n32)c1=O ZINC000020733552 171271005 /nfs/dbraw/zinc/27/10/05/171271005.db2.gz QJMDIAAPMGKICG-UHFFFAOYSA-N 0 0 294.314 1.844 50 5 CDBARN C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)[N+](=O)[O-] ZINC000042905602 174907801 /nfs/dbraw/zinc/90/78/01/174907801.db2.gz KVTULAZMZRAQOD-QHHAFSJGSA-N 0 0 252.182 1.961 50 5 CDBARN CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000001040976 261194929 /nfs/dbraw/zinc/19/49/29/261194929.db2.gz VSDNDBHGNUIWJT-UHFFFAOYSA-N 0 0 295.114 1.265 50 5 CDBARN CNC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O ZINC000008411907 277015662 /nfs/dbraw/zinc/01/56/62/277015662.db2.gz XYIPPZXSLQHGJN-UHFFFAOYSA-N 0 0 278.220 1.069 50 5 CDBARN CC(=O)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000003894098 277091794 /nfs/dbraw/zinc/09/17/94/277091794.db2.gz DHYOFFIZCYGNSE-UHFFFAOYSA-N 0 0 260.047 1.711 50 5 CDBARN CC(C)NC(=S)NNc1ccccc1[N+](=O)[O-] ZINC000006049297 277662338 /nfs/dbraw/zinc/66/23/38/277662338.db2.gz GCGOHNOWIRILON-UHFFFAOYSA-N 0 0 254.315 1.794 50 5 CDBARN CC(C)NS(=O)(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000023618444 279623911 /nfs/dbraw/zinc/62/39/11/279623911.db2.gz ZRNAVVOFECPMKV-UHFFFAOYSA-N 0 0 299.352 1.492 50 5 CDBARN COc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1 ZINC000000370153 295227368 /nfs/dbraw/zinc/22/73/68/295227368.db2.gz CWVUNEIBYOPJHQ-JTQLQIEISA-N 0 0 263.253 1.557 50 5 CDBARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccc1[N+](=O)[O-] ZINC000106518554 303316693 /nfs/dbraw/zinc/31/66/93/303316693.db2.gz BJTDPZWRFIXVIZ-SCVCMEIPSA-N 0 0 290.323 1.613 50 5 CDBARN [NH3+][C@H](CC(=O)[O-])c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000000032763 482456600 /nfs/dbraw/zinc/45/66/00/482456600.db2.gz QPTSBCSINGPCKQ-LLVKDONJSA-N 0 0 275.264 1.860 50 5 CDBARN COC(=O)c1sccc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000096465951 534410592 /nfs/dbraw/zinc/41/05/92/534410592.db2.gz QBYYBLOOIQHFSP-UHFFFAOYSA-N 0 0 281.293 1.996 50 5 CDBARN CCOC[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000193824650 528913218 /nfs/dbraw/zinc/91/32/18/528913218.db2.gz 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C[C@H]1CCCC[C@@]1(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408520803 359917102 /nfs/dbraw/zinc/91/71/02/359917102.db2.gz XQNKCPGWTLGUMK-GXFFZTMASA-N 0 0 280.328 1.876 50 5 CDBARN COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(C)cc1 ZINC000002228212 283709774 /nfs/dbraw/zinc/70/97/74/283709774.db2.gz CFNLQAIKBRQDQG-LLVKDONJSA-N 0 0 295.291 1.318 50 5 CDBARN COc1ccc(C=C2SC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000001214183 364058041 /nfs/dbraw/zinc/05/80/41/364058041.db2.gz INLWDVUOSLVTET-WEVVVXLNSA-N 0 0 280.261 1.927 50 5 CDBARN Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1nccs1 ZINC000002788329 375324978 /nfs/dbraw/zinc/32/49/78/375324978.db2.gz ZBTIYTPOMLNHHF-ZETCQYMHSA-N 0 0 295.324 1.831 50 5 CDBARN CC(C)C(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000253425452 189991205 /nfs/dbraw/zinc/99/12/05/189991205.db2.gz UCEJUEFCPNOQAN-VIFPVBQESA-N 0 0 298.368 1.792 50 5 CDBARN O=[N+]([O-])c1ccc([C@@]2(O)NN=C3CCCCCN32)cc1 ZINC000003187571 375578085 /nfs/dbraw/zinc/57/80/85/375578085.db2.gz 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CC[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000009726272 260003796 /nfs/dbraw/zinc/00/37/96/260003796.db2.gz OOTRSVCTNNMIIC-QMMMGPOBSA-N 0 0 288.325 1.680 50 5 CDBARN CCOc1ccccc1[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-] ZINC000000090879 276383913 /nfs/dbraw/zinc/38/39/13/276383913.db2.gz QCTXZKINYPLXNX-MFKMUULPSA-N 0 0 264.281 1.682 50 5 CDBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000001693946 277424449 /nfs/dbraw/zinc/42/44/49/277424449.db2.gz RJQRHZYXGHSNKQ-UHFFFAOYSA-N 0 0 260.589 1.943 50 5 CDBARN CC(C)N(c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000169725157 279466202 /nfs/dbraw/zinc/46/62/02/279466202.db2.gz GEESNODPSMLCJA-UHFFFAOYSA-N 0 0 258.299 1.769 50 5 CDBARN C[C@H](O)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097232761 323207573 /nfs/dbraw/zinc/20/75/73/323207573.db2.gz DFBRNRHAVABDRV-SMDDNHRTSA-N 0 0 292.335 1.899 50 5 CDBARN Cc1cc([N+](=O)[O-])cnc1N1CCn2nccc2C1 ZINC000585122431 930989458 /nfs/dbraw/zinc/98/94/58/930989458.db2.gz DZBWAMNCHAQEOO-UHFFFAOYSA-N 0 0 259.269 1.515 50 5 CDBARN Cn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1=O ZINC000095948428 185038991 /nfs/dbraw/zinc/03/89/91/185038991.db2.gz HAGPLCKRXRNNGM-UHFFFAOYSA-N 0 0 273.248 1.546 50 5 CDBARN O=C(NCC1(CO)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000095966727 185045241 /nfs/dbraw/zinc/04/52/41/185045241.db2.gz HEMAGDUVANFNHK-UHFFFAOYSA-N 0 0 268.244 1.236 50 5 CDBARN Cc1c([C@@H](C)NCc2ncnn2C)cccc1[N+](=O)[O-] ZINC000095968757 185047463 /nfs/dbraw/zinc/04/74/63/185047463.db2.gz LUAHKWMMQGENLY-SNVBAGLBSA-N 0 0 275.312 1.883 50 5 CDBARN Cc1nc(N(CC(N)=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000095974184 185050059 /nfs/dbraw/zinc/05/00/59/185050059.db2.gz UMQZWFBYDHQWPJ-UHFFFAOYSA-N 0 0 266.301 1.246 50 5 CDBARN C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000022078419 342088878 /nfs/dbraw/zinc/08/88/78/342088878.db2.gz FTITUJQJYXKYKM-WCQYABFASA-N 0 0 291.351 1.969 50 5 CDBARN COc1c2c(c([N+](=O)[O-])c(C=O)c1OC)OCO2 ZINC000015085802 362327580 /nfs/dbraw/zinc/32/75/80/362327580.db2.gz 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366938372 /nfs/dbraw/zinc/93/83/72/366938372.db2.gz KVYJMUIXEXZRCQ-NSHDSACASA-N 0 0 295.339 1.650 50 5 CDBARN COC(=O)c1ccc(Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000012395763 374498578 /nfs/dbraw/zinc/49/85/78/374498578.db2.gz UIWHWWVVTKRXTN-UHFFFAOYSA-N 0 0 265.225 1.528 50 5 CDBARN CCn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000002777558 375321858 /nfs/dbraw/zinc/32/18/58/375321858.db2.gz FGWZZRADXZHFBA-RKDXNWHRSA-N 0 0 282.300 1.061 50 5 CDBARN O=[N+]([O-])c1ccn(CCc2nnc(NC3CC3)s2)n1 ZINC000002788012 375329151 /nfs/dbraw/zinc/32/91/51/375329151.db2.gz RYAXHOSYVMFLAK-UHFFFAOYSA-N 0 0 280.313 1.460 50 5 CDBARN Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccco2)o1 ZINC000003655878 375775851 /nfs/dbraw/zinc/77/58/51/375775851.db2.gz JTKASYHWDVCJNT-UHFFFAOYSA-N 0 0 294.252 1.518 50 5 CDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOCC1 ZINC000189207988 377187459 /nfs/dbraw/zinc/18/74/59/377187459.db2.gz STYNVUVSIQMFAE-SECBINFHSA-N 0 0 279.296 1.476 50 5 CDBARN 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/nfs/dbraw/zinc/11/77/57/357117757.db2.gz BOENZJLHLMXPPE-UHFFFAOYSA-N 0 0 274.280 1.611 50 5 CDBARN CC[C@@H](C)NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000196065 359288529 /nfs/dbraw/zinc/28/85/29/359288529.db2.gz SCCUEPRBWOCUOG-ZCFIWIBFSA-N 0 0 274.708 1.668 50 5 CDBARN Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000000197076 359283555 /nfs/dbraw/zinc/28/35/55/359283555.db2.gz NKXFIMSAMLHLCM-VIFPVBQESA-N 0 0 280.328 1.809 50 5 CDBARN Cc1nccn1-c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000000250969 359400439 /nfs/dbraw/zinc/40/04/39/359400439.db2.gz YPSGXYSSHQXIET-UHFFFAOYSA-N 0 0 284.275 1.941 50 5 CDBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncnn1C ZINC000089587587 360500943 /nfs/dbraw/zinc/50/09/43/360500943.db2.gz FIWQPYTXLJMEHI-UHFFFAOYSA-N 0 0 261.241 1.284 50 5 CDBARN CC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065711554 364237305 /nfs/dbraw/zinc/23/73/05/364237305.db2.gz NDUGMVPJKANSDR-LLVKDONJSA-N 0 0 280.328 1.891 50 5 CDBARN Cc1cc(C)n2cc(Cn3nccc3[N+](=O)[O-])nc2n1 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CNc1nc(NCc2ccccc2)nc(N)c1[N+](=O)[O-] ZINC000004140231 375891432 /nfs/dbraw/zinc/89/14/32/375891432.db2.gz SNHPAQAPIXUXSI-UHFFFAOYSA-N 0 0 274.284 1.621 50 5 CDBARN Cc1cc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248323 375938311 /nfs/dbraw/zinc/93/83/11/375938311.db2.gz AAYOMBDCHBBPRQ-UHFFFAOYSA-N 0 0 268.269 1.933 50 5 CDBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncccc1O ZINC000012742404 377941836 /nfs/dbraw/zinc/94/18/36/377941836.db2.gz LUQYAWLLACQRLX-UHFFFAOYSA-N 0 0 289.247 1.713 50 5 CDBARN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCOC[C@H]1C ZINC000245344123 378072875 /nfs/dbraw/zinc/07/28/75/378072875.db2.gz XRCMNIMYAJWEJK-GHMZBOCLSA-N 0 0 280.328 1.511 50 5 CDBARN COc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000001428822 378551693 /nfs/dbraw/zinc/55/16/93/378551693.db2.gz ONZJUASZWPVNFX-UHFFFAOYSA-N 0 0 290.279 1.747 50 5 CDBARN Nc1nc(Nc2ccc(F)cc2F)ncc1[N+](=O)[O-] ZINC000070644118 379432563 /nfs/dbraw/zinc/43/25/63/379432563.db2.gz ZNWISCILHDGLII-UHFFFAOYSA-N 0 0 267.195 1.989 50 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/nfs/dbraw/zinc/20/31/82/518203182.db2.gz MRWQFQFIVYJIQL-UHFFFAOYSA-N 0 0 299.246 1.844 50 5 CDBARN COC(=O)C1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000097373744 342002666 /nfs/dbraw/zinc/00/26/66/342002666.db2.gz ATOWMRMUSKYNGX-UHFFFAOYSA-N 0 0 282.271 1.919 50 5 CDBARN CC[C@H](C)ONC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195577298 342628988 /nfs/dbraw/zinc/62/89/88/342628988.db2.gz NWRVMYDPZCKKJG-ZETCQYMHSA-N 0 0 253.258 1.637 50 5 CDBARN CN(CC1CCC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000096501073 529863293 /nfs/dbraw/zinc/86/32/93/529863293.db2.gz AAJGOTYXCSJZNF-UHFFFAOYSA-N 0 0 299.352 1.479 50 5 CDBARN CCOC(=O)[C@@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000098072900 185682543 /nfs/dbraw/zinc/68/25/43/185682543.db2.gz ZHAPKBCTYLNTEZ-QWRGUYRKSA-N 0 0 282.321 1.862 50 5 CDBARN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCc2ccccc21 ZINC000001826919 355952802 /nfs/dbraw/zinc/95/28/02/355952802.db2.gz YIKYJNBCZISWBO-UHFFFAOYSA-N 0 0 287.279 1.166 50 5 CDBARN O=[N+]([O-])c1cccnc1NN=c1[nH]cccc1[N+](=O)[O-] 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CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000001600209 369882135 /nfs/dbraw/zinc/88/21/35/369882135.db2.gz DDENYKBUELXLAQ-UHFFFAOYSA-N 0 0 295.291 1.880 50 5 CDBARN COCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028027307 369957049 /nfs/dbraw/zinc/95/70/49/369957049.db2.gz UJIOQBLIJVJVGC-UHFFFAOYSA-N 0 0 278.268 1.237 50 5 CDBARN COC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OC)CC1 ZINC000521395106 374240890 /nfs/dbraw/zinc/24/08/90/374240890.db2.gz JMIKMGHTGBNADN-UHFFFAOYSA-N 0 0 294.307 1.997 50 5 CDBARN CCOC(=O)c1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066348689 374315967 /nfs/dbraw/zinc/31/59/67/374315967.db2.gz SNKCFASFYYFHDA-UHFFFAOYSA-N 0 0 276.252 1.539 50 5 CDBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000012980241 374623612 /nfs/dbraw/zinc/62/36/12/374623612.db2.gz KWPUKNRENFDEQD-NSHDSACASA-N 0 0 292.339 1.169 50 5 CDBARN C[C@@]1(CO)CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095427203 374927552 /nfs/dbraw/zinc/92/75/52/374927552.db2.gz 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ZINC000000054336 358075428 /nfs/dbraw/zinc/07/54/28/358075428.db2.gz HGAZLROAXHVEMD-UHFFFAOYSA-N 0 0 267.266 1.161 50 5 CDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 ZINC000000083634 358391745 /nfs/dbraw/zinc/39/17/45/358391745.db2.gz DOALYTJTUMQIEH-GFCCVEGCSA-N 0 0 264.281 1.433 50 5 CDBARN CCn1nccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000012062659 358533897 /nfs/dbraw/zinc/53/38/97/358533897.db2.gz WODVXQQQTJGMKH-UHFFFAOYSA-N 0 0 290.279 1.829 50 5 CDBARN CCCS(=O)(=O)[C@H](C#N)c1ccccc1[N+](=O)[O-] ZINC000000170059 359230352 /nfs/dbraw/zinc/23/03/52/359230352.db2.gz YNSNFLUSJIZAKQ-LLVKDONJSA-N 0 0 268.294 1.984 50 5 CDBARN CCOc1cc2c3c([nH]c2c([N+](=O)[O-])c1)C(=O)NCC3 ZINC000000210104 359313240 /nfs/dbraw/zinc/31/32/40/359313240.db2.gz YZLCWECERJJGFO-UHFFFAOYSA-N 0 0 275.264 1.761 50 5 CDBARN COC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288782 359426115 /nfs/dbraw/zinc/42/61/15/359426115.db2.gz PIGAIOGZQGOJII-UHFFFAOYSA-N 0 0 272.644 1.151 50 5 CDBARN C[C@@H]1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1 ZINC000000287901 359426418 /nfs/dbraw/zinc/42/64/18/359426418.db2.gz ABXKIZOXAIJTAX-SSDOTTSWSA-N 0 0 265.294 1.816 50 5 CDBARN Cn1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000000373007 359632140 /nfs/dbraw/zinc/63/21/40/359632140.db2.gz UIXBYCKENPNFTR-UHFFFAOYSA-N 0 0 294.698 1.912 50 5 CDBARN COC[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000408516815 359900429 /nfs/dbraw/zinc/90/04/29/359900429.db2.gz GIQKWZZKCWWCFA-MRVPVSSYSA-N 0 0 287.703 1.495 50 5 CDBARN COc1cccc(NCC(F)(F)CO)c1[N+](=O)[O-] ZINC000185732865 189420255 /nfs/dbraw/zinc/42/02/55/189420255.db2.gz OOQHWJYSEGGJCL-UHFFFAOYSA-N 0 0 262.212 1.643 50 5 CDBARN COC(=O)c1cc([N+](=O)[O-])c(/C=C/N(C)C)s1 ZINC000012877877 363841319 /nfs/dbraw/zinc/84/13/19/363841319.db2.gz YSHILLYVPDPIQF-SNAWJCMRSA-N 0 0 256.283 1.975 50 5 CDBARN O=[N+]([O-])c1nc[nH]c1NNC(=S)Nc1ccccc1 ZINC000006161333 364014727 /nfs/dbraw/zinc/01/47/27/364014727.db2.gz BLKMDWVEBVDYFX-UHFFFAOYSA-N 0 0 278.297 1.631 50 5 CDBARN O=C([O-])C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000037598069 369243396 /nfs/dbraw/zinc/24/33/96/369243396.db2.gz SHEXURZABHONCC-UHFFFAOYSA-N 0 0 250.254 1.644 50 5 CDBARN Cc1c(C(=O)N2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000025139839 291504574 /nfs/dbraw/zinc/50/45/74/291504574.db2.gz ZCSBADZQCGKVPW-SECBINFHSA-N 0 0 264.281 1.764 50 5 CDBARN CC1(C)[C@H]([N+](=O)[O-])CN(Cc2ccccc2)C[C@H]1[N+](=O)[O-] ZINC000055002741 373758854 /nfs/dbraw/zinc/75/88/54/373758854.db2.gz CHKBIURCLZRTMT-CHWSQXEVSA-N 0 0 293.323 1.819 50 5 CDBARN Cc1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)oc1C ZINC000095414745 374916811 /nfs/dbraw/zinc/91/68/11/374916811.db2.gz XPXFVVDLZGLOQR-UHFFFAOYSA-N 0 0 263.253 1.718 50 5 CDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nncs1 ZINC000002740372 375308987 /nfs/dbraw/zinc/30/89/87/375308987.db2.gz SULQSGMHARPLGM-UHFFFAOYSA-N 0 0 264.266 1.628 50 5 CDBARN O=C(c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000002944761 375376810 /nfs/dbraw/zinc/37/68/10/375376810.db2.gz XRTGRLWVCVOAKV-UHFFFAOYSA-N 0 0 299.214 1.115 50 5 CDBARN O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003061389 375527380 /nfs/dbraw/zinc/52/73/80/375527380.db2.gz AGCDOLDEZGAGBW-VIFPVBQESA-N 0 0 295.251 1.412 50 5 CDBARN Cc1nc(C(C)(C)O)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000003165597 375568830 /nfs/dbraw/zinc/56/88/30/375568830.db2.gz SBSUSUFYUUTKOX-UHFFFAOYSA-N 0 0 262.269 1.711 50 5 CDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(C)=O ZINC000003234132 375597624 /nfs/dbraw/zinc/59/76/24/375597624.db2.gz RRCFKXUANYDNBQ-UHFFFAOYSA-N 0 0 268.225 1.105 50 5 CDBARN O=C1CCC(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004103978 375870216 /nfs/dbraw/zinc/87/02/16/375870216.db2.gz UVNPGRWABCHYDH-UHFFFAOYSA-N 0 0 254.629 1.902 50 5 CDBARN CSc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000000197104 169571600 /nfs/dbraw/zinc/57/16/00/169571600.db2.gz KOBMMHXDHWYRKZ-UHFFFAOYSA-N 0 0 293.308 1.547 50 5 CDBARN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000266364 169591880 /nfs/dbraw/zinc/59/18/80/169591880.db2.gz XJXGGFGKSVCZRX-UHFFFAOYSA-N 0 0 254.217 1.206 50 5 CDBARN O=[N+]([O-])c1cccnc1NCC1(O)CCSCC1 ZINC000096413747 393183776 /nfs/dbraw/zinc/18/37/76/393183776.db2.gz PWWKBALWLKSMCO-UHFFFAOYSA-N 0 0 269.326 1.660 50 5 CDBARN CC[C@@H](O)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000004576758 169986347 /nfs/dbraw/zinc/98/63/47/169986347.db2.gz MFUIMKPWEBKXMS-NEPJUHHUSA-N 0 0 250.254 1.859 50 5 CDBARN CCOCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004676906 169997450 /nfs/dbraw/zinc/99/74/50/169997450.db2.gz FQMJTCFQVZMJHE-UHFFFAOYSA-N 0 0 293.323 1.280 50 5 CDBARN CCOC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000004811655 170021242 /nfs/dbraw/zinc/02/12/42/170021242.db2.gz MWMHNBUQILJZKY-UHFFFAOYSA-N 0 0 278.062 1.117 50 5 CDBARN CC(C)(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005221192 170077134 /nfs/dbraw/zinc/07/71/34/170077134.db2.gz GVBZEQSEMKCDRK-UHFFFAOYSA-N 0 0 290.275 1.806 50 5 CDBARN O=C(COc1cccnc1[N+](=O)[O-])NCC(F)(F)F ZINC000005689713 170129760 /nfs/dbraw/zinc/12/97/60/170129760.db2.gz AMANQVYXJUYSQW-UHFFFAOYSA-N 0 0 279.174 1.047 50 5 CDBARN Cc1nn(CC(=O)c2cccn2C)c(C)c1[N+](=O)[O-] ZINC000009882269 170388350 /nfs/dbraw/zinc/38/83/50/170388350.db2.gz CKSAICJDPODMHO-UHFFFAOYSA-N 0 0 262.269 1.630 50 5 CDBARN COC(=O)c1c(OC)c2c(c(OC)c1[N+](=O)[O-])OCO2 ZINC000014987746 170652592 /nfs/dbraw/zinc/65/25/92/170652592.db2.gz BMWQSPJVPPUXCN-UHFFFAOYSA-N 0 0 285.208 1.127 50 5 CDBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1O ZINC000016650579 170707370 /nfs/dbraw/zinc/70/73/70/170707370.db2.gz LCTLIEHXUJWWHU-STQMWFEESA-N 0 0 278.308 1.970 50 5 CDBARN Cc1nnc(Sc2nc3ccccn3c2[N+](=O)[O-])n1N ZINC000022195629 171371820 /nfs/dbraw/zinc/37/18/20/171371820.db2.gz PWTHHBHOENZGOW-UHFFFAOYSA-N 0 0 291.296 1.007 50 5 CDBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C)C1 ZINC000036385383 172628838 /nfs/dbraw/zinc/62/88/38/172628838.db2.gz RINBQNANAFOJQD-WDEREUQCSA-N 0 0 293.323 1.643 50 5 CDBARN CC(C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000010320958 275968418 /nfs/dbraw/zinc/96/84/18/275968418.db2.gz PILNLSMPOFEWAT-UHFFFAOYSA-N 0 0 267.237 1.931 50 5 CDBARN NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039630 295286740 /nfs/dbraw/zinc/28/67/40/295286740.db2.gz IVPWIJSCRFTASK-UHFFFAOYSA-N 0 0 281.087 1.005 50 5 CDBARN CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000096452681 527181809 /nfs/dbraw/zinc/18/18/09/527181809.db2.gz FGTMOSSCHZCQFH-UHFFFAOYSA-N 0 0 290.316 1.969 50 5 CDBARN Nc1cc(NC[C@H]2CCCCO2)ncc1[N+](=O)[O-] ZINC000952991731 696140049 /nfs/dbraw/zinc/14/00/49/696140049.db2.gz DQINHWCOMPDVGQ-MRVPVSSYSA-N 0 0 252.274 1.553 50 5 CDBARN Cn1cnnc1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000952991615 725443092 /nfs/dbraw/zinc/44/30/92/725443092.db2.gz BXMJGXRJVXMFJD-VIFPVBQESA-N 0 0 291.286 1.856 50 5 CDBARN COc1nscc1Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000952880852 910445047 /nfs/dbraw/zinc/44/50/47/910445047.db2.gz DPEJSDWOYFODKO-UHFFFAOYSA-N 0 0 281.293 1.578 50 5 CDBARN NC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000096011326 185065980 /nfs/dbraw/zinc/06/59/80/185065980.db2.gz FCXQREIIRMNGGZ-SNVBAGLBSA-N 0 0 264.285 1.550 50 5 CDBARN CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000575444396 365698856 /nfs/dbraw/zinc/69/88/56/365698856.db2.gz NOBHPDRJLVEJBC-UHFFFAOYSA-N 0 0 299.352 1.957 50 5 CDBARN CN(Cc1cccc([N+](=O)[O-])c1)c1ncnc2c1cnn2C ZINC000025581202 362795292 /nfs/dbraw/zinc/79/52/92/362795292.db2.gz NIUMNGDFIIJQEK-UHFFFAOYSA-N 0 0 298.306 1.908 50 5 CDBARN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000032721663 356352504 /nfs/dbraw/zinc/35/25/04/356352504.db2.gz KOHCRRCIJBWGJN-UHFFFAOYSA-N 0 0 288.307 1.957 50 5 CDBARN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000032934668 356461167 /nfs/dbraw/zinc/46/11/67/356461167.db2.gz JVFUYFITYWJSTR-QMMMGPOBSA-N 0 0 290.283 1.606 50 5 CDBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc[nH]3)C2)nc1 ZINC000096452905 357476925 /nfs/dbraw/zinc/47/69/25/357476925.db2.gz CPSHAEKRBMQBLK-SECBINFHSA-N 0 0 274.284 1.492 50 5 CDBARN Cc1cc(NC(=O)NCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000097163033 358004283 /nfs/dbraw/zinc/00/42/83/358004283.db2.gz AWAULECLWHEGAG-UHFFFAOYSA-N 0 0 267.285 1.796 50 5 CDBARN COc1n[nH]c(C(=O)Nc2ccccc2F)c1[N+](=O)[O-] ZINC000000800691 359066707 /nfs/dbraw/zinc/06/67/07/359066707.db2.gz NSUNXMMHZBGCTA-UHFFFAOYSA-N 0 0 280.215 1.718 50 5 CDBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1C(N)=S ZINC000000126778 359120589 /nfs/dbraw/zinc/12/05/89/359120589.db2.gz WUSWHCJZDMHXJF-UHFFFAOYSA-N 0 0 277.309 1.305 50 5 CDBARN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCCCC1 ZINC000000187440 359277047 /nfs/dbraw/zinc/27/70/47/359277047.db2.gz QGJGUGULBHPTBK-UHFFFAOYSA-N 0 0 252.274 1.391 50 5 CDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC1 ZINC000000192164 359283480 /nfs/dbraw/zinc/28/34/80/359283480.db2.gz TVCJPXJRFSPNIZ-UHFFFAOYSA-N 0 0 256.283 1.379 50 5 CDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000000224741 359331550 /nfs/dbraw/zinc/33/15/50/359331550.db2.gz VLGUBPDISOXYSF-AATRIKPKSA-N 0 0 262.265 1.467 50 5 CDBARN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000000307296 359443132 /nfs/dbraw/zinc/44/31/32/359443132.db2.gz IRGWSRASMVFLNH-SECBINFHSA-N 0 0 270.241 1.115 50 5 CDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(O)CC1 ZINC000023993313 359526954 /nfs/dbraw/zinc/52/69/54/359526954.db2.gz NXYOSWIJHCBKKB-SNVBAGLBSA-N 0 0 293.323 1.379 50 5 CDBARN Cc1nn(C)c(C(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000000375950 359630507 /nfs/dbraw/zinc/63/05/07/359630507.db2.gz RZFMLOXCFJYBJZ-MRVPVSSYSA-N 0 0 266.301 1.509 50 5 CDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCNC1=O ZINC000000858980 359968472 /nfs/dbraw/zinc/96/84/72/359968472.db2.gz CYFYOBYYOJJASG-SECBINFHSA-N 0 0 293.279 1.068 50 5 CDBARN Cc1ccnc(NCc2cc3n(n2)CCCO3)c1[N+](=O)[O-] ZINC000521398385 359969616 /nfs/dbraw/zinc/96/96/16/359969616.db2.gz CKEVNIFTFUUISR-UHFFFAOYSA-N 0 0 289.295 1.889 50 5 CDBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1O ZINC000016650581 360102774 /nfs/dbraw/zinc/10/27/74/360102774.db2.gz LCTLIEHXUJWWHU-QWHCGFSZSA-N 0 0 278.308 1.970 50 5 CDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003848627 363774314 /nfs/dbraw/zinc/77/43/14/363774314.db2.gz BZBNTCYTNHCSJU-UHFFFAOYSA-N 0 0 270.310 1.769 50 5 CDBARN CCOC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 ZINC000003913749 365460761 /nfs/dbraw/zinc/46/07/61/365460761.db2.gz YVBURBOSAMMNRR-UHFFFAOYSA-N 0 0 268.269 1.830 50 5 CDBARN COC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000089919523 366968295 /nfs/dbraw/zinc/96/82/95/366968295.db2.gz FPZCEQRZWQYKTA-UHFFFAOYSA-N 0 0 257.677 1.868 50 5 CDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCCC1 ZINC000003271059 368704276 /nfs/dbraw/zinc/70/42/76/368704276.db2.gz XXNLVMOKZPZCGM-UHFFFAOYSA-N 0 0 296.279 1.794 50 5 CDBARN Cn1cc([C@](C)(O)CNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000242001058 369986933 /nfs/dbraw/zinc/98/69/33/369986933.db2.gz VCODUNIAQBWTGI-CYBMUJFWSA-N 0 0 294.286 1.787 50 5 CDBARN Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC000012446108 374502063 /nfs/dbraw/zinc/50/20/63/374502063.db2.gz QQASLULXJUJQOE-UHFFFAOYSA-N 0 0 285.267 1.577 50 5 CDBARN C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092658689 374699909 /nfs/dbraw/zinc/69/99/09/374699909.db2.gz PNENSUMQEBZNAO-LURJTMIESA-N 0 0 262.212 1.989 50 5 CDBARN Cc1cc(N2C[C@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000095419002 374919889 /nfs/dbraw/zinc/91/98/89/374919889.db2.gz OPTFNILFDLBIRT-CMPLNLGQSA-N 0 0 266.297 1.489 50 5 CDBARN Cc1ccc(C)c(OC[C@@H](O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000095438931 374939733 /nfs/dbraw/zinc/93/97/33/374939733.db2.gz ZVENXQHTUBPMKD-NSHDSACASA-N 0 0 292.295 1.243 50 5 CDBARN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC=CCC2)n1 ZINC000095450538 374950476 /nfs/dbraw/zinc/95/04/76/374950476.db2.gz REEGPMHTROXKAA-VIFPVBQESA-N 0 0 265.269 1.841 50 5 CDBARN COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000280273591 374990465 /nfs/dbraw/zinc/99/04/65/374990465.db2.gz ZSMBDEAOMMVYLG-UHFFFAOYSA-N 0 0 294.263 1.078 50 5 CDBARN CC1=CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280821115 375027142 /nfs/dbraw/zinc/02/71/42/375027142.db2.gz UWHOMJZBFVZNTM-UHFFFAOYSA-N 0 0 282.321 1.936 50 5 CDBARN CC(C)C(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000253425445 189991588 /nfs/dbraw/zinc/99/15/88/189991588.db2.gz UCEJUEFCPNOQAN-SECBINFHSA-N 0 0 298.368 1.792 50 5 CDBARN COCCCNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002898807 375365095 /nfs/dbraw/zinc/36/50/95/375365095.db2.gz GHHQOAXSDDRZPT-UHFFFAOYSA-N 0 0 297.336 1.236 50 5 CDBARN Cc1c(C(=O)Nc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000012729850 377237449 /nfs/dbraw/zinc/23/74/49/377237449.db2.gz YFJDSEFVGKTPHX-UHFFFAOYSA-N 0 0 260.253 1.889 50 5 CDBARN O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000002771756 296330562 /nfs/dbraw/zinc/33/05/62/296330562.db2.gz ARNQGGVJMQDMBG-KWQFWETISA-N 0 0 299.670 1.845 50 5 CDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnsn1 ZINC000043691433 256841919 /nfs/dbraw/zinc/84/19/19/256841919.db2.gz LCOWQBNYHXVFBC-UHFFFAOYSA-N 0 0 250.239 1.699 50 5 CDBARN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnn2C)c1 ZINC000097082377 390672468 /nfs/dbraw/zinc/67/24/68/390672468.db2.gz KZKROLZGCLNTSG-UHFFFAOYSA-N 0 0 290.279 1.727 50 5 CDBARN CCn1c(=O)c2c(cnn2C)c2cc([N+](=O)[O-])ccc21 ZINC000000256179 390799550 /nfs/dbraw/zinc/79/95/50/390799550.db2.gz PURRDTMUOSQYMK-UHFFFAOYSA-N 0 0 272.264 1.816 50 5 CDBARN CCOC(=O)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2NC1=O ZINC000008729837 391964031 /nfs/dbraw/zinc/96/40/31/391964031.db2.gz RARDOKXXQXTSKH-GFCCVEGCSA-N 0 0 280.236 1.248 50 5 CDBARN COc1cc(N[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000195575391 393304437 /nfs/dbraw/zinc/30/44/37/393304437.db2.gz BKCHQLGZLCAUTH-KOLCDFICSA-N 0 0 252.270 1.929 50 5 CDBARN Cc1nc([N+](=O)[O-])c(NC[C@H]2COC3(CCCC3)O2)n1C ZINC000101939242 397825593 /nfs/dbraw/zinc/82/55/93/397825593.db2.gz JUBNAPSRLLMERC-JTQLQIEISA-N 0 0 296.327 1.734 50 5 CDBARN CCOc1cccc(N2CCN(C)C(=O)C2)c1[N+](=O)[O-] ZINC000195563852 286573084 /nfs/dbraw/zinc/57/30/84/286573084.db2.gz 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CCn1[nH]ccc1=NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000885828886 711635473 /nfs/dbraw/zinc/63/54/73/711635473.db2.gz OYYODQDLOUBSJR-MDHMMNEVSA-N 0 0 286.291 1.885 50 5 CDBARN O=C([C@H]1CCCO1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC000585124495 930997881 /nfs/dbraw/zinc/99/78/81/930997881.db2.gz FZLOTVRSWUALPO-LLVKDONJSA-N 0 0 280.255 1.802 50 5 CDBARN O=C(Cn1ccnc1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000585133050 931028220 /nfs/dbraw/zinc/02/82/20/931028220.db2.gz PJAJELDKOCFWJO-NWDGAFQWSA-N 0 0 292.339 1.973 50 5 CDBARN Cc1cccc(OCCCS(C)(=O)=O)c1[N+](=O)[O-] ZINC000096484684 230381008 /nfs/dbraw/zinc/38/10/08/230381008.db2.gz ODMRCOLNXYYSDQ-UHFFFAOYSA-N 0 0 273.310 1.717 50 5 CDBARN Cc1nc(N[C@H](C(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000095975053 185050962 /nfs/dbraw/zinc/05/09/62/185050962.db2.gz BMJMOGXTFDDPSV-JTQLQIEISA-N 0 0 252.274 1.220 50 5 CDBARN Cc1ncc([N+](=O)[O-])n1Cc1nc2ccccc2c(=O)n1C ZINC000095990846 185058775 /nfs/dbraw/zinc/05/87/75/185058775.db2.gz JKGXGYDZTBJLKN-UHFFFAOYSA-N 0 0 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0 272.264 1.956 50 5 CDBARN Cn1cc2c(n1)ncnc2NCCc1cccc([N+](=O)[O-])c1 ZINC000092900123 358846492 /nfs/dbraw/zinc/84/64/92/358846492.db2.gz JTKZCEHNHSIUII-UHFFFAOYSA-N 0 0 298.306 1.926 50 5 CDBARN CCOC(Cn1nc(C)c([N+](=O)[O-])c1C)OCC ZINC000012395681 359055622 /nfs/dbraw/zinc/05/56/22/359055622.db2.gz PVGKIAGWLVUVIO-UHFFFAOYSA-N 0 0 257.290 1.807 50 5 CDBARN CCCS(=O)(=O)[C@@H](C#N)c1ccccc1[N+](=O)[O-] ZINC000000170056 359230146 /nfs/dbraw/zinc/23/01/46/359230146.db2.gz YNSNFLUSJIZAKQ-NSHDSACASA-N 0 0 268.294 1.984 50 5 CDBARN CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000197822 359283482 /nfs/dbraw/zinc/28/34/82/359283482.db2.gz OGWYDXOVZXOHSD-UHFFFAOYSA-N 0 0 263.205 1.878 50 5 biogenic CDBARN NC(=O)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000024975426 359342735 /nfs/dbraw/zinc/34/27/35/359342735.db2.gz QZXUORMLERXJRE-UHFFFAOYSA-N 0 0 292.276 1.403 50 5 CDBARN Cn1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000000373003 359630493 /nfs/dbraw/zinc/63/04/93/359630493.db2.gz VBRNSSZYLRXRKU-UHFFFAOYSA-N 0 0 294.698 1.912 50 5 CDBARN Cc1cnc(N[C@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000095415017 374916544 /nfs/dbraw/zinc/91/65/44/374916544.db2.gz XOHYTFHTCNVAPY-BDAKNGLRSA-N 0 0 264.285 1.364 50 5 CDBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000002837811 375343099 /nfs/dbraw/zinc/34/30/99/375343099.db2.gz KDWMZRYZJBDYRC-UHFFFAOYSA-N 0 0 277.280 1.546 50 5 CDBARN Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1C ZINC000002857538 375349362 /nfs/dbraw/zinc/34/93/62/375349362.db2.gz MUVLPESKZMPQKE-UHFFFAOYSA-N 0 0 289.295 1.958 50 5 CDBARN CC[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000031807281 375832294 /nfs/dbraw/zinc/83/22/94/375832294.db2.gz NHROGRCUMZLJBN-VIFPVBQESA-N 0 0 276.296 1.859 50 5 CDBARN NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059417660 375938014 /nfs/dbraw/zinc/93/80/14/375938014.db2.gz MBLDYEXWNFSKAI-UHFFFAOYSA-N 0 0 278.289 1.909 50 5 CDBARN COC(=O)CSc1nc2sccn2c1[N+](=O)[O-] ZINC000001395918 377547983 /nfs/dbraw/zinc/54/79/83/377547983.db2.gz WZGGFVXNIONDRA-UHFFFAOYSA-N 0 0 273.295 1.569 50 5 CDBARN O=C1CSC2=NCN(c3ccc([N+](=O)[O-])cc3)CN12 ZINC000004183141 284831701 /nfs/dbraw/zinc/83/17/01/284831701.db2.gz OCPABARQBJMRQE-UHFFFAOYSA-N 0 0 278.293 1.261 50 5 CDBARN COC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000456850 169645604 /nfs/dbraw/zinc/64/56/04/169645604.db2.gz CWRFVYRNVQCKNR-UHFFFAOYSA-N 0 0 292.291 1.620 50 5 CDBARN Cn1cc([C@@](C)(O)CNc2cccc(F)c2[N+](=O)[O-])cn1 ZINC000096421024 390514361 /nfs/dbraw/zinc/51/43/61/390514361.db2.gz KRODSHYXVFLMLA-ZDUSSCGKSA-N 0 0 294.286 1.787 50 5 CDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1 ZINC000000079830 390874281 /nfs/dbraw/zinc/87/42/81/390874281.db2.gz RQRSQGACLSPNHK-UHFFFAOYSA-N 0 0 288.350 1.332 50 5 CDBARN C[C@@H]1CCCN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])C1 ZINC000005042285 134653202 /nfs/dbraw/zinc/65/32/02/134653202.db2.gz JXBRTBRZDUMSAH-SNVBAGLBSA-N 0 0 288.311 1.807 50 5 CDBARN O=[N+]([O-])c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000003098920 296512683 /nfs/dbraw/zinc/51/26/83/296512683.db2.gz KDAOZCLTNCRPFJ-UHFFFAOYSA-N 0 0 255.173 1.888 50 5 CDBARN O=C1C=C(c2ccc([N+](=O)[O-])cc2)Nc2nonc2N1 ZINC000100339367 398111305 /nfs/dbraw/zinc/11/13/05/398111305.db2.gz RXFDXRUXTWWMQG-UHFFFAOYSA-N 0 0 273.208 1.383 50 5 CDBARN Cc1cc(C)n(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)n1 ZINC000004686651 169998486 /nfs/dbraw/zinc/99/84/86/169998486.db2.gz XYOFXAPUQJNLQF-VIFPVBQESA-N 0 0 263.257 1.506 50 5 CDBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1 ZINC000004777417 170015282 /nfs/dbraw/zinc/01/52/82/170015282.db2.gz RIGKPBKPPIVLOS-GWCFXTLKSA-N 0 0 294.307 1.657 50 5 CDBARN COC(=O)C1=C(C(C)=O)NN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000004860387 170032415 /nfs/dbraw/zinc/03/24/15/170032415.db2.gz ZFVKTTBERGDBCI-NSHDSACASA-N 0 0 291.263 1.149 50 5 CDBARN Cc1onc(C(=O)Nc2cccc(O)c2)c1[N+](=O)[O-] ZINC000004937294 170042805 /nfs/dbraw/zinc/04/28/05/170042805.db2.gz YJNWGLBFFYMIOA-UHFFFAOYSA-N 0 0 263.209 1.849 50 5 CDBARN Cc1cc(C(=O)N(C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000008096381 170318942 /nfs/dbraw/zinc/31/89/42/170318942.db2.gz STQQDSNUHFQVQW-UHFFFAOYSA-N 0 0 279.296 1.063 50 5 CDBARN CNS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000008148974 170321577 /nfs/dbraw/zinc/32/15/77/170321577.db2.gz JVRKUHPQZUTRSO-UHFFFAOYSA-N 0 0 299.352 1.857 50 5 CDBARN O=c1n(Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1 ZINC000008940751 170359489 /nfs/dbraw/zinc/35/94/89/170359489.db2.gz LIGUVVRGLCLHBO-UHFFFAOYSA-N 0 0 297.274 1.386 50 5 CDBARN COc1ccnc(Oc2ccc(C)nc2[N+](=O)[O-])n1 ZINC000015113059 170657573 /nfs/dbraw/zinc/65/75/73/170657573.db2.gz DBOJODWJFFXCSG-UHFFFAOYSA-N 0 0 262.225 1.889 50 5 CDBARN CCOC(=O)[C@@H](N)CSC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020218993 171082266 /nfs/dbraw/zinc/08/22/66/171082266.db2.gz YRDOBLDMPAKUFO-JTQLQIEISA-N 0 0 298.320 1.359 50 5 CDBARN Cn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000022475705 171388594 /nfs/dbraw/zinc/38/85/94/171388594.db2.gz NSTSCRICPAXMGX-UHFFFAOYSA-N 0 0 260.253 1.510 50 5 CDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000035186952 172041495 /nfs/dbraw/zinc/04/14/95/172041495.db2.gz CDWHYQRWAJAHJP-GUOLPTJISA-N 0 0 276.292 1.591 50 5 CDBARN CS(=O)(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000012644083 260063385 /nfs/dbraw/zinc/06/33/85/260063385.db2.gz DPUCEFFQSMMGAI-UHFFFAOYSA-N 0 0 256.283 1.208 50 5 CDBARN CCOC(=O)[C@@H]1CNc2cc([N+](=O)[O-])ccc2O1 ZINC000060270881 276289440 /nfs/dbraw/zinc/28/94/40/276289440.db2.gz YKLKADMWGXJPCX-JTQLQIEISA-N 0 0 252.226 1.331 50 5 CDBARN CCOc1cc(N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004182332 276370059 /nfs/dbraw/zinc/37/00/59/276370059.db2.gz KPWXDPBWKITZSJ-UHFFFAOYSA-N 0 0 255.230 1.968 50 5 CDBARN O=C1CCCN1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000015083649 304628720 /nfs/dbraw/zinc/62/87/20/304628720.db2.gz GJSNCZAYCGUOEH-UHFFFAOYSA-N 0 0 250.210 1.450 50 5 CDBARN C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097232763 323207723 /nfs/dbraw/zinc/20/77/23/323207723.db2.gz DFBRNRHAVABDRV-BXUZGUMPSA-N 0 0 292.335 1.899 50 5 CDBARN COc1ccc(NC(=O)N2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000584906990 930652456 /nfs/dbraw/zinc/65/24/56/930652456.db2.gz WFJOIAMAUUGHQO-VIFPVBQESA-N 0 0 295.295 1.450 50 5 CDBARN C[Si](C)(C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000585079787 930850927 /nfs/dbraw/zinc/85/09/27/930850927.db2.gz OMEGTTUFQHHZEZ-UHFFFAOYSA-N 0 0 284.392 1.636 50 5 CDBARN O=c1ncccn1CCCNc1ncccc1[N+](=O)[O-] ZINC000585092196 930921738 /nfs/dbraw/zinc/92/17/38/930921738.db2.gz IYJXJAVQUPBODE-UHFFFAOYSA-N 0 0 275.268 1.049 50 5 CDBARN CC(C)CC(=O)OCOc1cccnc1[N+](=O)[O-] ZINC000585119046 930981622 /nfs/dbraw/zinc/98/16/22/930981622.db2.gz NUXLYRJOMGRUDU-UHFFFAOYSA-N 0 0 254.242 1.915 50 5 CDBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCOCC1 ZINC000095953272 185041155 /nfs/dbraw/zinc/04/11/55/185041155.db2.gz ONXJXZBEAOIWRA-UHFFFAOYSA-N 0 0 296.348 1.982 50 5 CDBARN CC(C)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000095975064 185050666 /nfs/dbraw/zinc/05/06/66/185050666.db2.gz OGMAHZHSCCFJLR-MRVPVSSYSA-N 0 0 272.692 1.565 50 5 CDBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000096943964 185133974 /nfs/dbraw/zinc/13/39/74/185133974.db2.gz CDWHYQRWAJAHJP-KRZKBDHCSA-N 0 0 276.292 1.591 50 5 CDBARN Cc1cc(C)n(-c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000003885129 539053228 /nfs/dbraw/zinc/05/32/28/539053228.db2.gz GGDDDOAXRPZXTE-UHFFFAOYSA-N 0 0 296.308 1.045 50 5 CDBARN CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1 ZINC000036394257 362057943 /nfs/dbraw/zinc/05/79/43/362057943.db2.gz LPHYKSYBNFOTOD-UHFFFAOYSA-N 0 0 293.323 1.184 50 5 CDBARN O=[N+]([O-])c1cn(C[C@H](O)c2ccc(F)cc2)cn1 ZINC000036393934 362058865 /nfs/dbraw/zinc/05/88/65/362058865.db2.gz HMYNAWPAPPICNW-JTQLQIEISA-N 0 0 251.217 1.664 50 5 CDBARN CC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002739562 362277035 /nfs/dbraw/zinc/27/70/35/362277035.db2.gz PGTVBDMGASSYQV-QMMMGPOBSA-N 0 0 281.268 1.960 50 5 CDBARN CN(c1ncccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193310958 530038706 /nfs/dbraw/zinc/03/87/06/530038706.db2.gz KFHWAEUPAHKSTI-UHFFFAOYSA-N 0 0 294.292 1.210 50 5 CDBARN COC(=O)C(C)(C(=O)OC)c1ccccc1[N+](=O)[O-] ZINC000004072878 290852262 /nfs/dbraw/zinc/85/22/62/290852262.db2.gz UBAZCFQMESGGPA-UHFFFAOYSA-N 0 0 267.237 1.199 50 5 CDBARN C[C@@H]1CCC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C ZINC000239073287 363268129 /nfs/dbraw/zinc/26/81/29/363268129.db2.gz GWKGSCMXUZSZSH-UTLUCORTSA-N 0 0 280.328 1.883 50 5 CDBARN C[C@H](C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000471954 363322014 /nfs/dbraw/zinc/32/20/14/363322014.db2.gz NDELAUIXFAFOTJ-JTQLQIEISA-N 0 0 264.281 1.557 50 5 CDBARN NC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000011246187 358016837 /nfs/dbraw/zinc/01/68/37/358016837.db2.gz ILOUQSPPYDOXHJ-UHFFFAOYSA-N 0 0 299.286 1.727 50 5 CDBARN Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)N1CCOCC1 ZINC000000504406 366412099 /nfs/dbraw/zinc/41/20/99/366412099.db2.gz NTSMNHZOGHYKCZ-UHFFFAOYSA-N 0 0 296.327 1.098 50 5 CDBARN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000084640239 358933651 /nfs/dbraw/zinc/93/36/51/358933651.db2.gz GSIUPQWFMIZYAV-NXEZZACHSA-N 0 0 266.297 1.270 50 5 CDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](O)C1 ZINC000035115093 361258106 /nfs/dbraw/zinc/25/81/06/361258106.db2.gz HQPLNILCTYWFHA-LLVKDONJSA-N 0 0 265.269 1.583 50 5 CDBARN CCOC(=O)C[C@@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000089650164 366898378 /nfs/dbraw/zinc/89/83/78/366898378.db2.gz FJQFOOCPSLBUAG-MRVPVSSYSA-N 0 0 284.316 1.638 50 5 CDBARN O=C(CCn1nccc1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC000089684836 366909719 /nfs/dbraw/zinc/90/97/19/366909719.db2.gz XGGQHUSMADDNSE-UHFFFAOYSA-N 0 0 292.270 1.637 50 5 CDBARN O=C(Nc1nc[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000017971910 373824490 /nfs/dbraw/zinc/82/44/90/373824490.db2.gz CPKOOGKEMARBIH-UHFFFAOYSA-N 0 0 267.632 1.619 50 5 CDBARN CC(CO)(CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004045608 375853010 /nfs/dbraw/zinc/85/30/10/375853010.db2.gz RACUXTNSZMBMPM-UHFFFAOYSA-N 0 0 294.229 1.769 50 5 CDBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)NCc1ccco1 ZINC000000215084 169577909 /nfs/dbraw/zinc/57/79/09/169577909.db2.gz MHELGZYCIMLTRR-UHFFFAOYSA-N 0 0 292.295 1.789 50 5 CDBARN COc1cc(NC(=O)c2ccn(C)n2)cc([N+](=O)[O-])c1 ZINC000000356240 169615970 /nfs/dbraw/zinc/61/59/70/169615970.db2.gz KINKGSNMUZODID-UHFFFAOYSA-N 0 0 276.252 1.589 50 5 CDBARN O=c1[nH]c2ccccc2c2nnc(-c3ccccc3)c(=O)n12 ZINC000012863373 285200308 /nfs/dbraw/zinc/20/03/08/285200308.db2.gz NIEPILYQVXJZFM-UHFFFAOYSA-N 0 0 290.282 1.598 50 5 CDBARN O=c1c(=O)c2ccc([N+](=O)[O-])c3c2c1ccc3[N+](=O)[O-] ZINC000003155930 285205727 /nfs/dbraw/zinc/20/57/27/285205727.db2.gz HKNXJYVCBQHLBT-UHFFFAOYSA-N 0 0 272.172 1.405 50 5 in-vivo CDBARN O=[N+]([O-])c1ccc(N(CCO)Cc2cccnc2)cn1 ZINC000095408842 184969860 /nfs/dbraw/zinc/96/98/60/184969860.db2.gz BAVQRDVXUJLSGC-UHFFFAOYSA-N 0 0 274.280 1.384 50 5 CDBARN COc1c2c(cc3c1[C@@H]([C@H](C)[N+](=O)[O-])N(C)CC3)OCO2 ZINC000033345333 390875116 /nfs/dbraw/zinc/87/51/16/390875116.db2.gz DMFKDBXYGPGBMW-QPUJVOFHSA-N 0 0 294.307 1.618 50 5 biogenic CDBARN C[C@H]1C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188562266 390967449 /nfs/dbraw/zinc/96/74/49/390967449.db2.gz WKGXAILQYCTNTJ-ZANVPECISA-N 0 0 276.292 1.840 50 5 CDBARN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000192612551 391721159 /nfs/dbraw/zinc/72/11/59/391721159.db2.gz STDZBWOIXMYQIP-ZJUUUORDSA-N 0 0 295.343 1.576 50 5 CDBARN CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000003904567 134645375 /nfs/dbraw/zinc/64/53/75/134645375.db2.gz AYLXAMIBVCVVPD-UHFFFAOYSA-N 0 0 281.287 1.793 50 5 CDBARN O=c1c([N+](=O)[O-])c(N2CCCCC2)nc2ccccn12 ZINC000024056984 296528003 /nfs/dbraw/zinc/52/80/03/296528003.db2.gz OJDIDHPSNYLFQS-UHFFFAOYSA-N 0 0 274.280 1.593 50 5 CDBARN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)n(C)n1 ZINC000191674102 397613658 /nfs/dbraw/zinc/61/36/58/397613658.db2.gz 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Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(F)c1 ZINC000049418830 175476706 /nfs/dbraw/zinc/47/67/06/175476706.db2.gz ZDMSBUKTZSPZFR-UHFFFAOYSA-N 0 0 278.243 1.878 50 5 CDBARN Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000001110191 260003659 /nfs/dbraw/zinc/00/36/59/260003659.db2.gz YVPRKDHGGFQIFR-UHFFFAOYSA-N 0 0 282.647 1.024 50 5 CDBARN CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(O)C1 ZINC000000276559 275925242 /nfs/dbraw/zinc/92/52/42/275925242.db2.gz QCBVVHZUPZGHPN-LBPRGKRZSA-N 0 0 263.253 1.525 50 5 CDBARN Cc1nc2cc([N+](=O)[O-])cc(N(C)C)c2c(=O)n1C ZINC000006659461 279122715 /nfs/dbraw/zinc/12/27/15/279122715.db2.gz VEIDGCFLGHQYAE-UHFFFAOYSA-N 0 0 262.269 1.216 50 5 CDBARN O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1 ZINC000000099329 280257807 /nfs/dbraw/zinc/25/78/07/280257807.db2.gz CALXKFHEBRCNOE-KOLCDFICSA-N 0 0 254.673 1.936 50 5 CDBARN O=[N+]([O-])c1cc(Br)cnc1N1CCOCC1 ZINC000019913947 280356228 /nfs/dbraw/zinc/35/62/28/280356228.db2.gz WWQJIRVJWYMVDK-UHFFFAOYSA-N 0 0 288.101 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CON(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004037162 375850914 /nfs/dbraw/zinc/85/09/14/375850914.db2.gz CETIQPHMTQYOPD-UHFFFAOYSA-N 0 0 280.689 1.430 50 5 CDBARN COc1ccc([N+](=O)[O-])c(NC(=O)CC(C)=O)c1 ZINC000004100934 375870080 /nfs/dbraw/zinc/87/00/80/375870080.db2.gz DMTKRLBQRPRIGE-UHFFFAOYSA-N 0 0 252.226 1.521 50 5 CDBARN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000004181548 377811788 /nfs/dbraw/zinc/81/17/88/377811788.db2.gz SEBBVNQFSBGITG-UHFFFAOYSA-N 0 0 296.304 1.975 50 5 CDBARN O=c1cc(N2CCCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000004014821 284781796 /nfs/dbraw/zinc/78/17/96/284781796.db2.gz GMXRVALYFNKUTQ-UHFFFAOYSA-N 0 0 274.280 1.741 50 5 CDBARN COc1ccc(C=O)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000000035781 169512066 /nfs/dbraw/zinc/51/20/66/169512066.db2.gz XMSJDGSKTKNJLS-UHFFFAOYSA-N 0 0 261.237 1.661 50 5 CDBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H]1CCCO1 ZINC000000069503 169525215 /nfs/dbraw/zinc/52/52/15/169525215.db2.gz WMAWDLWRKZLWPA-VIFPVBQESA-N 0 0 276.248 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170402369 /nfs/dbraw/zinc/40/23/69/170402369.db2.gz SSUSYCXIKUOVTA-UHFFFAOYSA-N 0 0 261.237 1.626 50 5 CDBARN COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000014397989 170632834 /nfs/dbraw/zinc/63/28/34/170632834.db2.gz KNLASHKCIPEMIB-UHFFFAOYSA-N 0 0 288.325 1.218 50 5 CDBARN CN1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000020507137 171228912 /nfs/dbraw/zinc/22/89/12/171228912.db2.gz NDNILAPCNOHHOB-UHFFFAOYSA-N 0 0 285.250 1.261 50 5 CDBARN COC(=O)c1nn(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000072233520 176344759 /nfs/dbraw/zinc/34/47/59/176344759.db2.gz HTDPPRRYQBHSFB-UHFFFAOYSA-N 0 0 261.237 1.626 50 5 CDBARN CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N ZINC000003878381 275516386 /nfs/dbraw/zinc/51/63/86/275516386.db2.gz ZBTRNFSFYVUVJS-UHFFFAOYSA-N 0 0 282.256 1.614 50 5 CDBARN Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)no1 ZINC000000457572 280541288 /nfs/dbraw/zinc/54/12/88/280541288.db2.gz HXCPGRRATPLKDL-UHFFFAOYSA-N 0 0 273.204 1.692 50 5 CDBARN 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270.314 1.000 50 5 CDBARN CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002884132 375361248 /nfs/dbraw/zinc/36/12/48/375361248.db2.gz FMACXMNYUHFWSB-UHFFFAOYSA-N 0 0 290.279 1.829 50 5 CDBARN Cc1nc([N+](=O)[O-])c(NCCO)n1Cc1ccccc1 ZINC000003832888 375800994 /nfs/dbraw/zinc/80/09/94/375800994.db2.gz DTKUADYOSMPHLP-UHFFFAOYSA-N 0 0 276.296 1.552 50 5 CDBARN CC(C)n1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000001428951 378288025 /nfs/dbraw/zinc/28/80/25/378288025.db2.gz JDFRYPGSVVSNRJ-UHFFFAOYSA-N 0 0 278.272 1.207 50 5 CDBARN Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(N)n1 ZINC000000169147 169561933 /nfs/dbraw/zinc/56/19/33/169561933.db2.gz PMEKJNBWIPGACV-UHFFFAOYSA-N 0 0 260.253 1.090 50 5 CDBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)n1 ZINC000000356110 169615928 /nfs/dbraw/zinc/61/59/28/169615928.db2.gz KSWOZDMJICZZHV-UHFFFAOYSA-N 0 0 265.229 1.360 50 5 CDBARN C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000000471664 533274494 /nfs/dbraw/zinc/27/44/94/533274494.db2.gz 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Cc1nn(CCC(=O)Nc2cnccn2)c(C)c1[N+](=O)[O-] ZINC000097146022 357994091 /nfs/dbraw/zinc/99/40/91/357994091.db2.gz UJGASGJJLAHPCI-UHFFFAOYSA-N 0 0 290.283 1.227 50 5 CDBARN Cc1nc(N2CCC(n3ccnn3)CC2)ccc1[N+](=O)[O-] ZINC000097051333 358132361 /nfs/dbraw/zinc/13/23/61/358132361.db2.gz PKTIJOIESWPSSB-UHFFFAOYSA-N 0 0 288.311 1.731 50 5 CDBARN O=C1NC(=S)NC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000076571 358366317 /nfs/dbraw/zinc/36/63/17/358366317.db2.gz JGDJMOXCCPDWPN-LZCJLJQNSA-N 0 0 293.260 1.080 50 5 CDBARN Cc1c(=O)on(C)c1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000000121841 359120626 /nfs/dbraw/zinc/12/06/26/359120626.db2.gz QPSUWLOUVAMQKN-UHFFFAOYSA-N 0 0 292.207 1.505 50 5 CDBARN Cc1cc(C)c(S(=O)(=O)n2cnc([N+](=O)[O-])n2)c(C)c1 ZINC000000115199 359099251 /nfs/dbraw/zinc/09/92/51/359099251.db2.gz SFYDWLYPIXHPML-UHFFFAOYSA-N 0 0 296.308 1.349 50 5 in-vitro CDBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnn(C)c1 ZINC000195566545 189680607 /nfs/dbraw/zinc/68/06/07/189680607.db2.gz 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ZINC000068590098 357651593 /nfs/dbraw/zinc/65/15/93/357651593.db2.gz IKBUTKYQEXSXMA-UHFFFAOYSA-N 0 0 287.116 1.066 50 5 CDBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000097234764 358050461 /nfs/dbraw/zinc/05/04/61/358050461.db2.gz SEHAOBQDLZHLKP-MRVPVSSYSA-N 0 0 292.274 1.631 50 5 CDBARN CCCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000204993365 358656006 /nfs/dbraw/zinc/65/60/06/358656006.db2.gz XCTOOKPFFUTRFN-UHFFFAOYSA-N 0 0 258.299 1.771 50 5 CDBARN C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000095447705 358738195 /nfs/dbraw/zinc/73/81/95/358738195.db2.gz ZHQOLXJMOCOFNV-VIFPVBQESA-N 0 0 289.291 1.937 50 5 CDBARN COc1ccc(NC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000023391014 359112576 /nfs/dbraw/zinc/11/25/76/359112576.db2.gz JVQSHTPENQWAJA-UHFFFAOYSA-N 0 0 281.268 1.468 50 5 CDBARN Cc1nnc(COC(=O)COc2ccccc2[N+](=O)[O-])o1 ZINC000024904586 359059045 /nfs/dbraw/zinc/05/90/45/359059045.db2.gz FNMKWIHXAYGZHA-UHFFFAOYSA-N 0 0 293.235 1.408 50 5 CDBARN CC[C@H](C)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023521717 359157011 /nfs/dbraw/zinc/15/70/11/359157011.db2.gz KDRLNVYHCHUVSX-QMMMGPOBSA-N 0 0 280.280 1.783 50 5 CDBARN CS(=O)(=O)CCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000408516805 359900474 /nfs/dbraw/zinc/90/04/74/359900474.db2.gz AFVJREAMIXBGDN-UHFFFAOYSA-N 0 0 296.757 1.780 50 5 CDBARN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000248533183 360951758 /nfs/dbraw/zinc/95/17/58/360951758.db2.gz SLHPTAZLMFPPJZ-IWIIMEHWSA-N 0 0 280.328 1.732 50 5 CDBARN O=[N+]([O-])c1ccccc1OCCSc1c[nH]nn1 ZINC000177375343 364811199 /nfs/dbraw/zinc/81/11/99/364811199.db2.gz JYRYGNXCEOXCOR-UHFFFAOYSA-N 0 0 266.282 1.884 50 5 CDBARN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCCCCC2)n1 ZINC000000483219 364813841 /nfs/dbraw/zinc/81/38/41/364813841.db2.gz OYQTWLRRGFKZSA-UHFFFAOYSA-N 0 0 266.301 1.781 50 5 CDBARN COC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004016334 371854112 /nfs/dbraw/zinc/85/41/12/371854112.db2.gz RQZHHQQATAKKER-UHFFFAOYSA-N 0 0 252.226 1.487 50 5 CDBARN CC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O ZINC000019323187 374717516 /nfs/dbraw/zinc/71/75/16/374717516.db2.gz DTWFWAJUJUJRBY-UHFFFAOYSA-N 0 0 291.307 1.413 50 5 biogenic CDBARN O=[N+]([O-])c1cc(Br)ccc1NCCO ZINC000019985714 374833511 /nfs/dbraw/zinc/83/35/11/374833511.db2.gz MELNSLNFQOOTKK-UHFFFAOYSA-N 0 0 261.075 1.762 50 5 CDBARN Cc1cc([N+](=O)[O-])nn1COc1ccc(C=O)cc1 ZINC000002535215 375195205 /nfs/dbraw/zinc/19/52/05/375195205.db2.gz KMWNAZMTCWXYRF-UHFFFAOYSA-N 0 0 261.237 1.949 50 5 CDBARN Cc1nn(C)c(NC[C@@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000245344197 378071467 /nfs/dbraw/zinc/07/14/67/378071467.db2.gz YAMKWBNXDRIVPK-NXEZZACHSA-N 0 0 297.359 1.158 50 5 CDBARN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1Cl ZINC000000371788 169621114 /nfs/dbraw/zinc/62/11/14/169621114.db2.gz KEEHLNJLCVMGQG-UHFFFAOYSA-N 0 0 294.698 1.761 50 5 CDBARN COC(=O)C(C)(C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000098006560 533158408 /nfs/dbraw/zinc/15/84/08/533158408.db2.gz 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HMEKPMJEHVZPKI-UHFFFAOYSA-N 0 0 272.326 1.982 50 5 CDBARN CCNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000006654273 170222743 /nfs/dbraw/zinc/22/27/43/170222743.db2.gz YCRICJULUQKNEF-UHFFFAOYSA-N 0 0 299.352 1.811 50 5 CDBARN CCCC(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C ZINC000008684809 170345613 /nfs/dbraw/zinc/34/56/13/170345613.db2.gz PYHJBXPURDKVLS-UHFFFAOYSA-N 0 0 290.323 1.940 50 5 CDBARN COC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000009338485 170373377 /nfs/dbraw/zinc/37/33/77/170373377.db2.gz KOGCKLVNSRDIQA-JTQLQIEISA-N 0 0 280.280 1.972 50 5 CDBARN O=c1[nH]cnc2cc(NC[C@@H]3CCCO3)c([N+](=O)[O-])cc21 ZINC000029186948 171588957 /nfs/dbraw/zinc/58/89/57/171588957.db2.gz DKXQWTCJHAHVIX-QMMMGPOBSA-N 0 0 290.279 1.422 50 5 CDBARN COc1ccc(-c2ccc(C(N)=O)o2)c([N+](=O)[O-])c1 ZINC000020136257 277396787 /nfs/dbraw/zinc/39/67/87/277396787.db2.gz QOMHQYQCTIVGSE-UHFFFAOYSA-N 0 0 262.221 1.962 50 5 CDBARN Cn1c2nc3c(ccc4ccccc43)nc2c(=O)n(C)c1=O ZINC000001270174 279322591 /nfs/dbraw/zinc/32/25/91/279322591.db2.gz GJOHJQJTTFRJRD-UHFFFAOYSA-N 0 0 292.298 1.334 50 5 CDBARN Cc1cc(C(=O)Nc2cc(C)nc(=O)[nH]2)cc([N+](=O)[O-])c1 ZINC000096007622 280366364 /nfs/dbraw/zinc/36/63/64/280366364.db2.gz NASLOBISOSUQRM-UHFFFAOYSA-N 0 0 288.263 1.547 50 5 CDBARN C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033049964 288340601 /nfs/dbraw/zinc/34/06/01/288340601.db2.gz MVIARPSWMNOAAX-SECBINFHSA-N 0 0 250.254 1.456 50 5 CDBARN Cc1ccn(Cc2ccn(C(C)C)n2)c(=O)c1[N+](=O)[O-] ZINC000096472051 534343906 /nfs/dbraw/zinc/34/39/06/534343906.db2.gz JLZPDQUFMPMIAZ-UHFFFAOYSA-N 0 0 276.296 1.891 50 5 CDBARN COC(=O)c1occc1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000096468071 534388372 /nfs/dbraw/zinc/38/83/72/534388372.db2.gz FKFQCFOXSOGIEN-UHFFFAOYSA-N 0 0 278.220 1.184 50 5 CDBARN CC[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CCO1 ZINC000585118453 930979363 /nfs/dbraw/zinc/97/93/63/930979363.db2.gz PMJSJJDRQGVKOL-MRVPVSSYSA-N 0 0 255.249 1.744 50 5 CDBARN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCCCC1=O 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CCc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=N)s1 ZINC000004477895 356361615 /nfs/dbraw/zinc/36/16/15/356361615.db2.gz IIVNQBLHJZQGQY-UHFFFAOYSA-N 0 0 264.310 1.943 50 5 CDBARN O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c2nonc21 ZINC000033012181 357084403 /nfs/dbraw/zinc/08/44/03/357084403.db2.gz WWSIVORJHWMSIF-SSDOTTSWSA-N 0 0 264.241 1.722 50 5 CDBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC(F)(F)F)c1 ZINC000024542572 357240186 /nfs/dbraw/zinc/24/01/86/357240186.db2.gz ZUQZONSXDOIPHK-UHFFFAOYSA-N 0 0 292.213 1.961 50 5 CDBARN CCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C ZINC000000027951 357611993 /nfs/dbraw/zinc/61/19/93/357611993.db2.gz JDYWHHZLNHDAON-UHFFFAOYSA-N 0 0 250.214 1.123 50 5 CDBARN COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] ZINC000000056612 358037721 /nfs/dbraw/zinc/03/77/21/358037721.db2.gz HCEIEWYPDCDNNU-UHFFFAOYSA-N 0 0 271.225 1.407 50 5 CDBARN COc1ccccc1[C@H]1NC(=O)CC[C@H]1[N+](=O)[O-] ZINC000000090844 358654175 /nfs/dbraw/zinc/65/41/75/358654175.db2.gz XLHBDHDXTFIGJA-BXKDBHETSA-N 0 0 250.254 1.292 50 5 CDBARN O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000103381 358808050 /nfs/dbraw/zinc/80/80/50/358808050.db2.gz FKMJJAMPPJQKFX-QPUJVOFHSA-N 0 0 264.237 1.012 50 5 CDBARN CC(=O)Nc1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000084796895 359000870 /nfs/dbraw/zinc/00/08/70/359000870.db2.gz CTVFWOWVSUKXDE-UHFFFAOYSA-N 0 0 287.275 1.763 50 5 CDBARN CC(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000068593326 374482042 /nfs/dbraw/zinc/48/20/42/374482042.db2.gz VCEHNDGQPCVWOD-UHFFFAOYSA-N 0 0 250.254 1.550 50 5 CDBARN O=C(NC1CC1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020625085 374982014 /nfs/dbraw/zinc/98/20/14/374982014.db2.gz TVDRRNPJXMSIQN-JTQLQIEISA-N 0 0 290.323 1.485 50 5 CDBARN COC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002684933 375295287 /nfs/dbraw/zinc/29/52/87/375295287.db2.gz RXIWUACBCHMLAQ-UHFFFAOYSA-N 0 0 256.170 1.055 50 5 CDBARN COC(=O)c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000029218694 375391787 /nfs/dbraw/zinc/39/17/87/375391787.db2.gz GGKDLVUWXYEOLC-UHFFFAOYSA-N 0 0 279.296 1.133 50 5 CDBARN C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003238454 375597363 /nfs/dbraw/zinc/59/73/63/375597363.db2.gz BKXIJQBHXIPDSG-LDYMZIIASA-N 0 0 278.264 1.733 50 5 CDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1=NCCS1 ZINC000003197048 375581525 /nfs/dbraw/zinc/58/15/25/375581525.db2.gz BYGNRGJZRYUJEA-ZZXKWVIFSA-N 0 0 277.305 1.827 50 5 CDBARN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2)n1 ZINC000000040643 169514338 /nfs/dbraw/zinc/51/43/38/169514338.db2.gz PMZWPKTWPDQGSE-UHFFFAOYSA-N 0 0 260.253 1.258 50 5 CDBARN COc1cccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c1OC ZINC000000090316 169532904 /nfs/dbraw/zinc/53/29/04/169532904.db2.gz UBUCSYPYCYYISP-SKDRFNHKSA-N 0 0 280.280 1.300 50 5 CDBARN O=[N+]([O-])c1ccccc1CN1CCN(c2ncccn2)CC1 ZINC000019537024 285160255 /nfs/dbraw/zinc/16/02/55/285160255.db2.gz QXHQZPDDDQUEJH-UHFFFAOYSA-N 0 0 299.334 1.707 50 5 CDBARN O=[N+]([O-])c1cnn(C[C@H](O)COCc2cccs2)c1 ZINC000095438791 184985656 /nfs/dbraw/zinc/98/56/56/184985656.db2.gz DZOYKAYCCPQNTF-JTQLQIEISA-N 0 0 283.309 1.431 50 5 CDBARN Cc1cccnc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000004820295 170023066 /nfs/dbraw/zinc/02/30/66/170023066.db2.gz UKTKIOXBPGBBBO-VIFPVBQESA-N 0 0 275.268 1.694 50 5 CDBARN CCOC(=O)Cn1c(=O)sc2cc([N+](=O)[O-])ccc21 ZINC000005592182 170116896 /nfs/dbraw/zinc/11/68/96/170116896.db2.gz ORAITXJSGMWCNV-UHFFFAOYSA-N 0 0 282.277 1.534 50 5 CDBARN CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005666141 170125415 /nfs/dbraw/zinc/12/54/15/170125415.db2.gz DSOLQUVYSHSDNU-MRVPVSSYSA-N 0 0 283.240 1.004 50 5 CDBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000009336251 170372796 /nfs/dbraw/zinc/37/27/96/170372796.db2.gz YJZCOTZPHQTEBB-UHFFFAOYSA-N 0 0 274.232 1.963 50 5 CDBARN O=C(CSc1nc[nH]n1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009721668 170384920 /nfs/dbraw/zinc/38/49/20/170384920.db2.gz RPMVBJQNRRKFOM-UHFFFAOYSA-N 0 0 297.271 1.583 50 5 CDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccno1 ZINC000010254045 170401972 /nfs/dbraw/zinc/40/19/72/170401972.db2.gz SLCPHOPUTSUBHE-UHFFFAOYSA-N 0 0 263.209 1.844 50 5 CDBARN Cc1nc([N+](=O)[O-])cn1Cc1nnc2n1CCCCC2 ZINC000072334130 176370796 /nfs/dbraw/zinc/37/07/96/176370796.db2.gz CTUDJFRSSBLGGP-UHFFFAOYSA-N 0 0 276.300 1.466 50 5 CDBARN C[C@@H]1CCCN(CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000097943996 533689350 /nfs/dbraw/zinc/68/93/50/533689350.db2.gz QMKFYQMUZJIAGO-SECBINFHSA-N 0 0 295.299 1.999 50 5 CDBARN CC(=O)N1CCO[C@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000000437803 277000630 /nfs/dbraw/zinc/00/06/30/277000630.db2.gz NKSLLFHRRVNKHI-GFCCVEGCSA-N 0 0 250.254 1.646 50 5 CDBARN CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000195574553 528034197 /nfs/dbraw/zinc/03/41/97/528034197.db2.gz YAVDQGIPNSVMKC-UHFFFAOYSA-N 0 0 270.310 1.816 50 5 CDBARN CCC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000952992761 614849564 /nfs/dbraw/zinc/84/95/64/614849564.db2.gz CXCJDJZGWWZYOC-UHFFFAOYSA-N 0 0 292.339 1.793 50 5 CDBARN CC(C)(C)OC(=O)[C@@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095644404 185017559 /nfs/dbraw/zinc/01/75/59/185017559.db2.gz JXJGFVMVUVDWNV-GHMZBOCLSA-N 0 0 264.281 1.949 50 5 CDBARN Cc1ccccc1CNC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000095994864 185060250 /nfs/dbraw/zinc/06/02/50/185060250.db2.gz UQMBGKXIZWNQLN-LLVKDONJSA-N 0 0 288.307 1.977 50 5 CDBARN Cc1cc([N+](=O)[O-])nn1C[C@@H](O)c1cccc(F)c1 ZINC000195562226 342628608 /nfs/dbraw/zinc/62/86/08/342628608.db2.gz QFZLMRCEQVNRKA-LLVKDONJSA-N 0 0 265.244 1.972 50 5 CDBARN C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])o1 ZINC000097022886 185153600 /nfs/dbraw/zinc/15/36/00/185153600.db2.gz HQDKUIQVXGKNDV-VXNVDRBHSA-N 0 0 290.279 1.964 50 5 CDBARN Cc1cc(NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000037999469 362098545 /nfs/dbraw/zinc/09/85/45/362098545.db2.gz ITFGUDUDWWZHIH-LLVKDONJSA-N 0 0 252.270 1.731 50 5 CDBARN Cc1nn([C@@H](C)C(=O)NC[C@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000001071177 362521863 /nfs/dbraw/zinc/52/18/63/362521863.db2.gz 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0 0 293.323 1.245 50 5 CDBARN COc1ccc(C(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000000175646 277880113 /nfs/dbraw/zinc/88/01/13/277880113.db2.gz AOSJGFYXLJABTE-UHFFFAOYSA-N 0 0 274.236 1.646 50 5 CDBARN CSc1nnc2nnc3c4ccccc4[nH]c3n21 ZINC000015084608 278181514 /nfs/dbraw/zinc/18/15/14/278181514.db2.gz ALMBGACCSIZHMS-UHFFFAOYSA-N 0 0 256.294 1.876 50 5 CDBARN Cc1nc([N+](=O)[O-])c(I)[nH]1 ZINC000034925473 293394709 /nfs/dbraw/zinc/39/47/09/293394709.db2.gz MFMHRKLNVLTIAV-UHFFFAOYSA-N 0 0 252.999 1.231 50 5 CDBARN O=C1C=CC[C@@H]2[C@H]3CCC[N@@+]4([O-])CCC[C@@H](CN12)[C@@H]34 ZINC000238809354 304620699 /nfs/dbraw/zinc/62/06/99/304620699.db2.gz QMGGMESMCJCABO-KAHWEZKRSA-N 0 0 262.353 1.660 50 5 biogenic,in-vitro CDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000014401904 301864582 /nfs/dbraw/zinc/86/45/82/301864582.db2.gz JELKOJXTVHYEMN-UHFFFAOYSA-N 0 0 258.299 1.590 50 5 CDBARN Cc1nc(N(C)Cc2ccc(N)nc2)ccc1[N+](=O)[O-] ZINC000127112006 323209997 /nfs/dbraw/zinc/20/99/97/323209997.db2.gz 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