smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687593477 790656683 /nfs/dbraw/zinc/65/66/83/790656683.db2.gz RLLGUTLYWBPANO-SECBINFHSA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687593477 790656686 /nfs/dbraw/zinc/65/66/86/790656686.db2.gz RLLGUTLYWBPANO-SECBINFHSA-N 1 2 282.300 -0.318 20 5 CBBDLO NC(=O)COC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC001322380312 803891502 /nfs/dbraw/zinc/89/15/02/803891502.db2.gz AYNGPZQMAAEXDZ-UHFFFAOYSA-N 1 2 283.288 -0.285 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2)n1 ZINC001325099590 804238734 /nfs/dbraw/zinc/23/87/34/804238734.db2.gz IRNUWQLOGJLPJV-UHFFFAOYSA-N 1 2 264.245 -0.045 20 5 CBBDLO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084222 810241176 /nfs/dbraw/zinc/24/11/76/810241176.db2.gz IGXCDQWHMJWEAS-JZSSXWJLSA-N 1 2 295.299 -0.281 20 5 CBBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363224 810265523 /nfs/dbraw/zinc/26/55/23/810265523.db2.gz IGXCDQWHMJWEAS-YJFSRANCSA-N 1 2 295.299 -0.281 20 5 CBBDLO Cn1c[nH+]cc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001119106994 812712278 /nfs/dbraw/zinc/71/22/78/812712278.db2.gz DMFMDFPMXVLRON-UHFFFAOYSA-N 1 2 250.218 -0.019 20 5 CBBDLO O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932086 813695006 /nfs/dbraw/zinc/69/50/06/813695006.db2.gz HQRDFASTMKBSFK-RKDXNWHRSA-N 1 2 265.273 -0.652 20 5 CBBDLO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932089 813695122 /nfs/dbraw/zinc/69/51/22/813695122.db2.gz HXCQHTQCLPQTHB-RKDXNWHRSA-N 1 2 297.319 -0.875 20 5 CBBDLO CCCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936887 813696714 /nfs/dbraw/zinc/69/67/14/813696714.db2.gz WDHFEIPCEWNKJB-RKDXNWHRSA-N 1 2 297.315 -0.107 20 5 CBBDLO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC001126936695 813697352 /nfs/dbraw/zinc/69/73/52/813697352.db2.gz QXZZGWRCCZSSKC-NXEZZACHSA-N 1 2 279.300 -0.344 20 5 CBBDLO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC001126936849 813697881 /nfs/dbraw/zinc/69/78/81/813697881.db2.gz UOKWTRSYXCBAIX-GHMZBOCLSA-N 1 2 281.316 -0.400 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)n1 ZINC001301544749 816748267 /nfs/dbraw/zinc/74/82/67/816748267.db2.gz CJCWNYZHQAPQIS-ZETCQYMHSA-N 1 2 294.271 -0.475 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](CO)C1 ZINC001301605495 816750353 /nfs/dbraw/zinc/75/03/53/816750353.db2.gz OSWNQCCIQAGWJX-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](CO)C1 ZINC001301605495 816750357 /nfs/dbraw/zinc/75/03/57/816750357.db2.gz OSWNQCCIQAGWJX-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)n1 ZINC001302759775 816756928 /nfs/dbraw/zinc/75/69/28/816756928.db2.gz ZZRGJGBICSWTJV-QMMMGPOBSA-N 1 2 294.271 -0.615 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)n1 ZINC001302759775 816756929 /nfs/dbraw/zinc/75/69/29/816756929.db2.gz ZZRGJGBICSWTJV-QMMMGPOBSA-N 1 2 294.271 -0.615 20 5 CBBDLO CN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584891 817022861 /nfs/dbraw/zinc/02/28/61/817022861.db2.gz JPPJEECFIKJVFK-NXEZZACHSA-N 1 2 279.300 -0.310 20 5 CBBDLO CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC001168357623 820159339 /nfs/dbraw/zinc/15/93/39/820159339.db2.gz CJVPVTSVZFJLHG-UHFFFAOYSA-N 1 2 293.287 -0.066 20 5 CBBDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168961726 820197888 /nfs/dbraw/zinc/19/78/88/820197888.db2.gz KAZMGDIZKPUDRY-KATARQTJSA-N 1 2 260.290 -0.056 20 5 CBBDLO NC(=O)c1nc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168978041 820198726 /nfs/dbraw/zinc/19/87/26/820198726.db2.gz NWVJRPLLHFPOKA-BQBZGAKWSA-N 1 2 269.261 -0.297 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(=O)n(C)c2)C[NH2+]1 ZINC001169131280 820210493 /nfs/dbraw/zinc/21/04/93/820210493.db2.gz XTFCQJSBNSSKJQ-APPZFPTMSA-N 1 2 296.283 -0.391 20 5 CBBDLO CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227253393 825300539 /nfs/dbraw/zinc/30/05/39/825300539.db2.gz ZJAVOBMSIALHPO-GHMZBOCLSA-N 1 2 298.343 -0.632 20 5 CBBDLO CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001268825828 827426999 /nfs/dbraw/zinc/42/69/99/827426999.db2.gz SSRVHROAXPUQMC-GHMZBOCLSA-N 1 2 298.343 -0.822 20 5 CBBDLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001446598423 912912059 /nfs/dbraw/zinc/91/20/59/912912059.db2.gz QQFRRSTVGJFRFT-GMTAPVOTSA-N 1 2 297.311 -0.452 20 5 CBBDLO C[NH+]1CCN(CC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001328720478 885789539 /nfs/dbraw/zinc/78/95/39/885789539.db2.gz BCWRGCRBOZFQOT-VXGBXAGGSA-N 1 2 282.344 -0.643 20 5 CBBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001333015857 887501789 /nfs/dbraw/zinc/50/17/89/887501789.db2.gz DCRANESWJYNRRY-SNVBAGLBSA-N 1 2 277.346 -0.237 20 5 CBBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001333015857 887501795 /nfs/dbraw/zinc/50/17/95/887501795.db2.gz DCRANESWJYNRRY-SNVBAGLBSA-N 1 2 277.346 -0.237 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1CO ZINC001454665514 914241930 /nfs/dbraw/zinc/24/19/30/914241930.db2.gz DHTUFUXITVSTBA-VIFPVBQESA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1CO ZINC001454665514 914241947 /nfs/dbraw/zinc/24/19/47/914241947.db2.gz DHTUFUXITVSTBA-VIFPVBQESA-N 1 2 294.311 -0.075 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n1 ZINC001471064258 915546895 /nfs/dbraw/zinc/54/68/95/915546895.db2.gz ITKFYXXTHDEWIF-SECBINFHSA-N 1 2 297.315 -0.440 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n1 ZINC001471064258 915546912 /nfs/dbraw/zinc/54/69/12/915546912.db2.gz ITKFYXXTHDEWIF-SECBINFHSA-N 1 2 297.315 -0.440 20 5 CBBDLO CN(CC[N@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482596848 917175145 /nfs/dbraw/zinc/17/51/45/917175145.db2.gz ZIFOTTFRZGTGIM-VXGBXAGGSA-N 1 2 295.343 -0.025 20 5 CBBDLO CN(CC[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482596848 917175149 /nfs/dbraw/zinc/17/51/49/917175149.db2.gz ZIFOTTFRZGTGIM-VXGBXAGGSA-N 1 2 295.343 -0.025 20 5 CBBDLO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC001493544069 919577618 /nfs/dbraw/zinc/57/76/18/919577618.db2.gz GCVZHINUDIHKSH-VXGBXAGGSA-N 1 2 295.343 -0.058 20 5 CBBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001544139059 923298282 /nfs/dbraw/zinc/29/82/82/923298282.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 1 2 296.331 -0.318 20 5 CBBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001544139059 923298290 /nfs/dbraw/zinc/29/82/90/923298290.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 1 2 296.331 -0.318 20 5 CBBDLO O=C1CC2(CN(c3ncc([N+](=O)[O-])cn3)C2)[NH2+]CCN1 ZINC001559250157 924217161 /nfs/dbraw/zinc/21/71/61/924217161.db2.gz TVBLTSYOBXOFIY-UHFFFAOYSA-N 1 2 278.272 -0.947 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285358265 529789708 /nfs/dbraw/zinc/78/97/08/529789708.db2.gz ZRRMPQQPTNCUQA-SSDOTTSWSA-N 1 2 269.261 -0.622 20 5 CBBDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285358265 529789709 /nfs/dbraw/zinc/78/97/09/529789709.db2.gz ZRRMPQQPTNCUQA-SSDOTTSWSA-N 1 2 269.261 -0.622 20 5 CBBDLO COC[C@@H](C(N)=O)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339354758 215115358 /nfs/dbraw/zinc/11/53/58/215115358.db2.gz AWYYWRLZKMFAJR-QMMMGPOBSA-N 1 2 271.277 -0.777 20 5 CBBDLO COC[C@@H](C(N)=O)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339354758 215115359 /nfs/dbraw/zinc/11/53/59/215115359.db2.gz AWYYWRLZKMFAJR-QMMMGPOBSA-N 1 2 271.277 -0.777 20 5 CBBDLO Nc1c(C(=O)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000087083811 179392745 /nfs/dbraw/zinc/39/27/45/179392745.db2.gz NVQRKGDQCCFKKL-UHFFFAOYSA-N 1 2 294.311 -0.073 20 5 CBBDLO O=[N+]([O-])c1nccn1C[C@H](O)C[NH+]1CCOCC1 ZINC000031417041 351376549 /nfs/dbraw/zinc/37/65/49/351376549.db2.gz ULIOGVTZPFEQDZ-SECBINFHSA-N 1 2 256.262 -0.516 20 5 CBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])ncn1C ZINC000081015839 351702090 /nfs/dbraw/zinc/70/20/90/351702090.db2.gz YUGTWXDJGVSVIE-JTQLQIEISA-N 1 2 299.331 -0.542 20 5 CBBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)NC1CC1 ZINC000090512421 351741171 /nfs/dbraw/zinc/74/11/71/351741171.db2.gz GMWHLEVKBCGSGI-UHFFFAOYSA-N 1 2 294.311 -0.033 20 5 CBBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)NC1CC1 ZINC000090512421 351741174 /nfs/dbraw/zinc/74/11/74/351741174.db2.gz GMWHLEVKBCGSGI-UHFFFAOYSA-N 1 2 294.311 -0.033 20 5 CBBDLO CNC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517058 351741317 /nfs/dbraw/zinc/74/13/17/351741317.db2.gz MYJQWDQBZZMEIM-UHFFFAOYSA-N 1 2 268.273 -0.566 20 5 CBBDLO CNC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517058 351741322 /nfs/dbraw/zinc/74/13/22/351741322.db2.gz MYJQWDQBZZMEIM-UHFFFAOYSA-N 1 2 268.273 -0.566 20 5 CBBDLO CN(C(=O)C[NH+](CCO)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000140182725 351924892 /nfs/dbraw/zinc/92/48/92/351924892.db2.gz WNEPBNNRIYIEEO-UHFFFAOYSA-N 1 2 297.311 -0.156 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3ncnc3C2)n1 ZINC000352272078 219388356 /nfs/dbraw/zinc/38/83/56/219388356.db2.gz CHWGFMUWBLQDRO-UHFFFAOYSA-N 1 2 263.261 -0.101 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3ncnc3C2)n1 ZINC000352272078 219388358 /nfs/dbraw/zinc/38/83/58/219388358.db2.gz CHWGFMUWBLQDRO-UHFFFAOYSA-N 1 2 263.261 -0.101 20 5 CBBDLO O=C1NC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000175934495 352060816 /nfs/dbraw/zinc/06/08/16/352060816.db2.gz AATYJRQLTFQVLT-SECBINFHSA-N 1 2 280.288 -0.499 20 5 CBBDLO O=C1NC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000175934495 352060823 /nfs/dbraw/zinc/06/08/23/352060823.db2.gz AATYJRQLTFQVLT-SECBINFHSA-N 1 2 280.288 -0.499 20 5 CBBDLO O=C1NC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000175934941 352061420 /nfs/dbraw/zinc/06/14/20/352061420.db2.gz KQGRXNXFZKRUKB-SECBINFHSA-N 1 2 280.288 -0.499 20 5 CBBDLO O=C1NC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000175934941 352061421 /nfs/dbraw/zinc/06/14/21/352061421.db2.gz KQGRXNXFZKRUKB-SECBINFHSA-N 1 2 280.288 -0.499 20 5 CBBDLO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187303988 352136956 /nfs/dbraw/zinc/13/69/56/352136956.db2.gz KYWXQOVXJKJHHP-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187303988 352136960 /nfs/dbraw/zinc/13/69/60/352136960.db2.gz KYWXQOVXJKJHHP-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249582287 352369316 /nfs/dbraw/zinc/36/93/16/352369316.db2.gz RPWNIWADJOUSQK-MWLCHTKSSA-N 1 2 297.315 -0.685 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249582287 352369318 /nfs/dbraw/zinc/36/93/18/352369318.db2.gz RPWNIWADJOUSQK-MWLCHTKSSA-N 1 2 297.315 -0.685 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269477829 352470630 /nfs/dbraw/zinc/47/06/30/352470630.db2.gz KXIAIJRKPGJYQW-SECBINFHSA-N 1 2 266.305 -0.260 20 5 CBBDLO Nc1nc(NC[C@H]2C[NH+]3CCN2CC3)ncc1[N+](=O)[O-] ZINC000269523561 352472696 /nfs/dbraw/zinc/47/26/96/352472696.db2.gz WNJCKXLGYWDLCJ-QMMMGPOBSA-N 1 2 279.304 -0.621 20 5 CBBDLO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCOCC1 ZINC000330560710 352848224 /nfs/dbraw/zinc/84/82/24/352848224.db2.gz JNMWSORDYAOPQR-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332657780 352972673 /nfs/dbraw/zinc/97/26/73/352972673.db2.gz FIYSZSYWMJSWRF-IUCAKERBSA-N 1 2 270.289 -0.090 20 5 CBBDLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332657780 352972675 /nfs/dbraw/zinc/97/26/75/352972675.db2.gz FIYSZSYWMJSWRF-IUCAKERBSA-N 1 2 270.289 -0.090 20 5 CBBDLO COC1(C)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000353012131 353516894 /nfs/dbraw/zinc/51/68/94/353516894.db2.gz NWRNTIXJYVWHQF-JTQLQIEISA-N 1 2 270.289 -0.127 20 5 CBBDLO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000588865170 355062431 /nfs/dbraw/zinc/06/24/31/355062431.db2.gz XMSSTLLEFCDXLJ-MRVPVSSYSA-N 1 2 283.284 -0.047 20 5 CBBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000589502055 355068483 /nfs/dbraw/zinc/06/84/83/355068483.db2.gz GYSZQRJPRHLYAU-TXEJJXNPSA-N 1 2 296.279 -0.081 20 5 CBBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000589502055 355068486 /nfs/dbraw/zinc/06/84/86/355068486.db2.gz GYSZQRJPRHLYAU-TXEJJXNPSA-N 1 2 296.279 -0.081 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000590601337 355085841 /nfs/dbraw/zinc/08/58/41/355085841.db2.gz SSCZECCHRRCAIS-JTQLQIEISA-N 1 2 292.299 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Cc1nc(NCCC[N@@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000297340540 200155245 /nfs/dbraw/zinc/15/52/45/200155245.db2.gz AXZHZJVHGYTGLY-UHFFFAOYSA-N 1 2 294.315 -0.073 20 5 CBBDLO Cc1nc(NCCC[N@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000297340540 200155247 /nfs/dbraw/zinc/15/52/47/200155247.db2.gz AXZHZJVHGYTGLY-UHFFFAOYSA-N 1 2 294.315 -0.073 20 5 CBBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCOCC1 ZINC000298275642 200379638 /nfs/dbraw/zinc/37/96/38/200379638.db2.gz DFNCWQBYPDNLOR-UHFFFAOYSA-N 1 2 295.299 -0.167 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275443713 193039579 /nfs/dbraw/zinc/03/95/79/193039579.db2.gz MIGABNPTUUTJFA-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275443713 193039581 /nfs/dbraw/zinc/03/95/81/193039581.db2.gz MIGABNPTUUTJFA-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000330585924 203003930 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CN(CC[NH+]1CCOCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000263953679 190086208 /nfs/dbraw/zinc/08/62/08/190086208.db2.gz KJEDSWWEPGJQAW-UHFFFAOYSA-N 1 2 282.304 -0.265 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000356481751 248256842 /nfs/dbraw/zinc/25/68/42/248256842.db2.gz PJNPFQCEOMGOTM-MRVPVSSYSA-N 1 2 283.288 -0.611 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000356481751 248256849 /nfs/dbraw/zinc/25/68/49/248256849.db2.gz PJNPFQCEOMGOTM-MRVPVSSYSA-N 1 2 283.288 -0.611 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285310387 196247376 /nfs/dbraw/zinc/24/73/76/196247376.db2.gz WTZZUVDDNDGWHE-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000355503135 227856987 /nfs/dbraw/zinc/85/69/87/227856987.db2.gz FIBCMEMENGXPCT-VHSXEESVSA-N 1 2 295.299 -0.517 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000355503135 227856989 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Cn1c[nH+]c(CCNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000413377928 420236963 /nfs/dbraw/zinc/23/69/63/420236963.db2.gz DTJAMPACIMUKPM-UHFFFAOYSA-N 1 2 263.261 -0.223 20 5 CBBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596428111 420488371 /nfs/dbraw/zinc/48/83/71/420488371.db2.gz HELCUQLGQFQLPS-BDAKNGLRSA-N 1 2 296.331 -0.090 20 5 CBBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000596428111 420488372 /nfs/dbraw/zinc/48/83/72/420488372.db2.gz HELCUQLGQFQLPS-BDAKNGLRSA-N 1 2 296.331 -0.090 20 5 CBBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375065898 294422210 /nfs/dbraw/zinc/42/22/10/294422210.db2.gz QQFDMLLNKLJNLH-BBBLOLIVSA-N 1 2 279.300 -0.442 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)C(F)F)c1 ZINC000578651924 335659740 /nfs/dbraw/zinc/65/97/40/335659740.db2.gz PSGNGLYKWNIPGG-RKDXNWHRSA-N 1 2 294.258 -0.242 20 5 CBBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000157414296 522997783 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CBBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000787731912 582382510 /nfs/dbraw/zinc/38/25/10/582382510.db2.gz UHACBSPQXJGTJK-VIFPVBQESA-N 1 2 265.335 -0.476 20 5 CBBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000787731912 582382511 /nfs/dbraw/zinc/38/25/11/582382511.db2.gz UHACBSPQXJGTJK-VIFPVBQESA-N 1 2 265.335 -0.476 20 5 CBBDLO C[C@@H]1C[N@H+](CCOC(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 ZINC000800142593 582421861 /nfs/dbraw/zinc/42/18/61/582421861.db2.gz ZBLVQTZQGLNYAU-SECBINFHSA-N 1 2 299.287 -0.550 20 5 CBBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 ZINC000800142593 582421862 /nfs/dbraw/zinc/42/18/62/582421862.db2.gz ZBLVQTZQGLNYAU-SECBINFHSA-N 1 2 299.287 -0.550 20 5 CBBDLO CC(C)(CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N+](=O)[O-] ZINC000827167457 582802488 /nfs/dbraw/zinc/80/24/88/582802488.db2.gz XNHSBWFRNZMAIQ-LLVKDONJSA-N 1 2 284.360 -0.062 20 5 CBBDLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839631925 583156790 /nfs/dbraw/zinc/15/67/90/583156790.db2.gz OHFUZPBFULVFLE-NXEZZACHSA-N 1 2 257.290 -0.558 20 5 CBBDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839663679 583157397 /nfs/dbraw/zinc/15/73/97/583157397.db2.gz UQYDJKAHHFCISK-GHMZBOCLSA-N 1 2 293.327 -0.271 20 5 CBBDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839717202 583158576 /nfs/dbraw/zinc/15/85/76/583158576.db2.gz CBLQSRCVBNBKAG-HBNTYKKESA-N 1 2 299.327 -0.253 20 5 CBBDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839717202 583158577 /nfs/dbraw/zinc/15/85/77/583158577.db2.gz CBLQSRCVBNBKAG-HBNTYKKESA-N 1 2 299.327 -0.253 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747857 583159253 /nfs/dbraw/zinc/15/92/53/583159253.db2.gz UVGXXFIPJWFNIE-GMTAPVOTSA-N 1 2 271.317 -0.169 20 5 CBBDLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000840673556 583166683 /nfs/dbraw/zinc/16/66/83/583166683.db2.gz SGVDBUHPKYABJV-OPRDCNLKSA-N 1 2 258.274 -0.085 20 5 CBBDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000840673556 583166685 /nfs/dbraw/zinc/16/66/85/583166685.db2.gz SGVDBUHPKYABJV-OPRDCNLKSA-N 1 2 258.274 -0.085 20 5 CBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])cnn1C ZINC000892856908 656273541 /nfs/dbraw/zinc/27/35/41/656273541.db2.gz PBMOXJXRWDYONT-SNVBAGLBSA-N 1 2 299.331 -0.542 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC000912742669 657335404 /nfs/dbraw/zinc/33/54/04/657335404.db2.gz FWPLCLQJIBJNRP-JTQLQIEISA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC000912742669 657335408 /nfs/dbraw/zinc/33/54/08/657335408.db2.gz FWPLCLQJIBJNRP-JTQLQIEISA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000913547338 657527185 /nfs/dbraw/zinc/52/71/85/657527185.db2.gz MFIHDMADRFCFPT-JTQLQIEISA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000913547338 657527189 /nfs/dbraw/zinc/52/71/89/657527189.db2.gz MFIHDMADRFCFPT-JTQLQIEISA-N 1 2 280.284 -0.262 20 5 CBBDLO NC(=O)C[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000919721613 657858018 /nfs/dbraw/zinc/85/80/18/657858018.db2.gz LUBVUNHFSLPFQA-UHFFFAOYSA-N 1 2 279.300 -0.013 20 5 CBBDLO NC(=O)C[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000919721613 657858023 /nfs/dbraw/zinc/85/80/23/657858023.db2.gz LUBVUNHFSLPFQA-UHFFFAOYSA-N 1 2 279.300 -0.013 20 5 CBBDLO O=[N+]([O-])CC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000930708927 659326557 /nfs/dbraw/zinc/32/65/57/659326557.db2.gz FQQFQLUDMPXXJV-UHFFFAOYSA-N 1 2 277.346 -0.237 20 5 CBBDLO CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436126 801697947 /nfs/dbraw/zinc/69/79/47/801697947.db2.gz ITHFTBHYZNYCQE-NXEZZACHSA-N 1 2 298.343 -0.632 20 5 CBBDLO O=C(NCC1(O)C[NH+](CC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325214946 804260088 /nfs/dbraw/zinc/26/00/88/804260088.db2.gz WAJXBUQHMCFZCI-NXEZZACHSA-N 1 2 269.301 -0.776 20 5 CBBDLO CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001325214948 804260983 /nfs/dbraw/zinc/26/09/83/804260983.db2.gz WCBMVPXIMCKRHQ-RKDXNWHRSA-N 1 2 257.290 -0.776 20 5 CBBDLO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963485 805205935 /nfs/dbraw/zinc/20/59/35/805205935.db2.gz SYJMGPURHDCNSI-GHMZBOCLSA-N 1 2 298.343 -0.678 20 5 CBBDLO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963485 805205943 /nfs/dbraw/zinc/20/59/43/805205943.db2.gz SYJMGPURHDCNSI-GHMZBOCLSA-N 1 2 298.343 -0.678 20 5 CBBDLO COc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155570866 815294387 /nfs/dbraw/zinc/29/43/87/815294387.db2.gz PWGYMYQIQLUARV-HQJQHLMTSA-N 1 2 294.271 -0.617 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc(OC)c2[N+](=O)[O-])C[NH2+]1 ZINC001156243199 815350069 /nfs/dbraw/zinc/35/00/69/815350069.db2.gz QDBFJJNTWZQSAC-BQBZGAKWSA-N 1 2 297.271 -0.291 20 5 CBBDLO CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932279 813695240 /nfs/dbraw/zinc/69/52/40/813695240.db2.gz PWIINGMQSVFDKK-NXEZZACHSA-N 1 2 296.331 -0.441 20 5 CBBDLO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001126943418 813697110 /nfs/dbraw/zinc/69/71/10/813697110.db2.gz OJUBUIAGMSNTGZ-NXEZZACHSA-N 1 2 268.273 -0.146 20 5 CBBDLO CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936949 813697724 /nfs/dbraw/zinc/69/77/24/813697724.db2.gz YFNSHEMZTNUPGF-MWLCHTKSSA-N 1 2 296.331 -0.523 20 5 CBBDLO Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 ZINC001126936604 813697947 /nfs/dbraw/zinc/69/79/47/813697947.db2.gz MQFLHBOQOWZDCM-NXEZZACHSA-N 1 2 268.273 -0.146 20 5 CBBDLO NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097334 815610587 /nfs/dbraw/zinc/61/05/87/815610587.db2.gz GLMFKGVJZOFTEW-GHMZBOCLSA-N 1 2 296.327 -0.725 20 5 CBBDLO NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097334 815610590 /nfs/dbraw/zinc/61/05/90/815610590.db2.gz GLMFKGVJZOFTEW-GHMZBOCLSA-N 1 2 296.327 -0.725 20 5 CBBDLO C[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001135603436 814499507 /nfs/dbraw/zinc/49/95/07/814499507.db2.gz JEXFNEJSNXEFNG-UHFFFAOYSA-N 1 2 265.273 -0.040 20 5 CBBDLO CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294645404 816542195 /nfs/dbraw/zinc/54/21/95/816542195.db2.gz NRFXCIAOBFCENV-VXGBXAGGSA-N 1 2 298.343 -0.678 20 5 CBBDLO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001296065513 816598949 /nfs/dbraw/zinc/59/89/49/816598949.db2.gz TXPRHPDLCQAYCQ-NXEZZACHSA-N 1 2 295.299 -0.808 20 5 CBBDLO Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001317448016 816981359 /nfs/dbraw/zinc/98/13/59/816981359.db2.gz LVILWEUBCGSUDH-VXGBXAGGSA-N 1 2 293.327 -0.002 20 5 CBBDLO Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001317448016 816981363 /nfs/dbraw/zinc/98/13/63/816981363.db2.gz LVILWEUBCGSUDH-VXGBXAGGSA-N 1 2 293.327 -0.002 20 5 CBBDLO CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001318020539 817065256 /nfs/dbraw/zinc/06/52/56/817065256.db2.gz SYECVTSCJKIOJL-GHMZBOCLSA-N 1 2 271.317 -0.123 20 5 CBBDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319613023 817225387 /nfs/dbraw/zinc/22/53/87/817225387.db2.gz ZYUJOXXMBDBSEQ-MRVPVSSYSA-N 1 2 282.304 -0.707 20 5 CBBDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319613023 817225392 /nfs/dbraw/zinc/22/53/92/817225392.db2.gz ZYUJOXXMBDBSEQ-MRVPVSSYSA-N 1 2 282.304 -0.707 20 5 CBBDLO Cn1cc(C[N@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])n1 ZINC001167759370 820115194 /nfs/dbraw/zinc/11/51/94/820115194.db2.gz ACLDXICKOVAENR-UHFFFAOYSA-N 1 2 272.305 -0.249 20 5 CBBDLO Cn1cc(C[N@@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])n1 ZINC001167759370 820115197 /nfs/dbraw/zinc/11/51/97/820115197.db2.gz ACLDXICKOVAENR-UHFFFAOYSA-N 1 2 272.305 -0.249 20 5 CBBDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168961728 820197684 /nfs/dbraw/zinc/19/76/84/820197684.db2.gz KAZMGDIZKPUDRY-RGOKHQFPSA-N 1 2 260.290 -0.056 20 5 CBBDLO NC(=O)c1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168978043 820199366 /nfs/dbraw/zinc/19/93/66/820199366.db2.gz NWVJRPLLHFPOKA-RNFRBKRXSA-N 1 2 269.261 -0.297 20 5 CBBDLO COC(=O)[C@@H](CC(N)=O)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996561 820200294 /nfs/dbraw/zinc/20/02/94/820200294.db2.gz WDNNRUDVLKHJKP-DJLDLDEBSA-N 1 2 273.289 -0.562 20 5 CBBDLO O=C(NC1(CCO)C[NH+](CC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276050997 828132354 /nfs/dbraw/zinc/13/23/54/828132354.db2.gz VAGLLHILPOSEIO-GHMZBOCLSA-N 1 2 283.328 -0.385 20 5 CBBDLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001331883311 887029796 /nfs/dbraw/zinc/02/97/96/887029796.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 1 2 269.261 -0.886 20 5 CBBDLO Cc1noc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1[N+](=O)[O-] ZINC001333594185 887706115 /nfs/dbraw/zinc/70/61/15/887706115.db2.gz YBQYIGPFTUBHIZ-SNVBAGLBSA-N 1 2 270.245 -0.687 20 5 CBBDLO Cc1noc(C[N@H+]2CC[C@](O)(C(N)=O)C2)c1[N+](=O)[O-] ZINC001333594185 887706129 /nfs/dbraw/zinc/70/61/29/887706129.db2.gz YBQYIGPFTUBHIZ-SNVBAGLBSA-N 1 2 270.245 -0.687 20 5 CBBDLO Cc1noc(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1[N+](=O)[O-] ZINC001333594183 887706180 /nfs/dbraw/zinc/70/61/80/887706180.db2.gz YBQYIGPFTUBHIZ-JTQLQIEISA-N 1 2 270.245 -0.687 20 5 CBBDLO Cc1noc(C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1[N+](=O)[O-] ZINC001333594183 887706196 /nfs/dbraw/zinc/70/61/96/887706196.db2.gz YBQYIGPFTUBHIZ-JTQLQIEISA-N 1 2 270.245 -0.687 20 5 CBBDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC001464883039 915024709 /nfs/dbraw/zinc/02/47/09/915024709.db2.gz RYWSIZLAHHQMOX-QJPTWQEYSA-N 1 2 284.360 -0.349 20 5 CBBDLO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001329895007 886261247 /nfs/dbraw/zinc/26/12/47/886261247.db2.gz MKOIXKZTVJSWLK-YUMQZZPRSA-N 1 2 257.246 -0.181 20 5 CBBDLO Cc1noc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001329895007 886261260 /nfs/dbraw/zinc/26/12/60/886261260.db2.gz MKOIXKZTVJSWLK-YUMQZZPRSA-N 1 2 257.246 -0.181 20 5 CBBDLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001331883311 887029779 /nfs/dbraw/zinc/02/97/79/887029779.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 1 2 269.261 -0.886 20 5 CBBDLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001333591561 887707393 /nfs/dbraw/zinc/70/73/93/887707393.db2.gz MKOIXKZTVJSWLK-JGVFFNPUSA-N 1 2 257.246 -0.181 20 5 CBBDLO Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1[N+](=O)[O-] ZINC001333591561 887707400 /nfs/dbraw/zinc/70/74/00/887707400.db2.gz MKOIXKZTVJSWLK-JGVFFNPUSA-N 1 2 257.246 -0.181 20 5 CBBDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001454171106 914172472 /nfs/dbraw/zinc/17/24/72/914172472.db2.gz JULURNYNVUEYOY-SSDOTTSWSA-N 1 2 280.244 -0.485 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442986 915815050 /nfs/dbraw/zinc/81/50/50/915815050.db2.gz QGSCODYUWZPLKU-PSASIEDQSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442986 915815072 /nfs/dbraw/zinc/81/50/72/915815072.db2.gz QGSCODYUWZPLKU-PSASIEDQSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001483007028 917371722 /nfs/dbraw/zinc/37/17/22/917371722.db2.gz DCKFQLYOMUAXBE-WUNPDAOYSA-N 1 2 294.315 -0.758 20 5 CBBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001522626906 922493933 /nfs/dbraw/zinc/49/39/33/922493933.db2.gz KXNHPEXIAFUHFM-PSASIEDQSA-N 1 2 295.299 -0.842 20 5 CBBDLO CCc1[nH]nc(C(=O)N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001558610939 924187760 /nfs/dbraw/zinc/18/77/60/924187760.db2.gz CYTFVAFDCLOTFL-UHFFFAOYSA-N 1 2 295.299 -0.307 20 5 CBBDLO CCc1n[nH]c(C(=O)N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001558610939 924187769 /nfs/dbraw/zinc/18/77/69/924187769.db2.gz CYTFVAFDCLOTFL-UHFFFAOYSA-N 1 2 295.299 -0.307 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[NH+]1CCOCC1 ZINC000035994581 351387378 /nfs/dbraw/zinc/38/73/78/351387378.db2.gz GAZGHCHCYRSPIV-JTQLQIEISA-N 1 2 270.289 -0.207 20 5 CBBDLO Nc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000052077028 351517122 /nfs/dbraw/zinc/51/71/22/351517122.db2.gz IWXZBGGXCLCYDH-UHFFFAOYSA-N 1 2 294.311 -0.073 20 5 CBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCOCC1 ZINC000065834771 351594421 /nfs/dbraw/zinc/59/44/21/351594421.db2.gz YBSBBFVCFQACFM-UHFFFAOYSA-N 1 2 297.315 -0.452 20 5 CBBDLO COC(=O)[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000133785222 351902482 /nfs/dbraw/zinc/90/24/82/351902482.db2.gz TWAZMAAPNAZQCA-SNVBAGLBSA-N 1 2 298.299 -0.026 20 5 CBBDLO COC(=O)[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000133785222 351902483 /nfs/dbraw/zinc/90/24/83/351902483.db2.gz TWAZMAAPNAZQCA-SNVBAGLBSA-N 1 2 298.299 -0.026 20 5 CBBDLO CN(C)C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159730542 351965483 /nfs/dbraw/zinc/96/54/83/351965483.db2.gz DZKVPEOQLLMTEY-UHFFFAOYSA-N 1 2 282.300 -0.224 20 5 CBBDLO CN(C)C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159730542 351965485 /nfs/dbraw/zinc/96/54/85/351965485.db2.gz DZKVPEOQLLMTEY-UHFFFAOYSA-N 1 2 282.300 -0.224 20 5 CBBDLO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000159860408 351966731 /nfs/dbraw/zinc/96/67/31/351966731.db2.gz DPYIWSBGTOCRFF-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000160621838 351971778 /nfs/dbraw/zinc/97/17/78/351971778.db2.gz ZLZBDONREFTLQX-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000160621838 351971784 /nfs/dbraw/zinc/97/17/84/351971784.db2.gz ZLZBDONREFTLQX-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000160621838 351971787 /nfs/dbraw/zinc/97/17/87/351971787.db2.gz ZLZBDONREFTLQX-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000160621838 351971791 /nfs/dbraw/zinc/97/17/91/351971791.db2.gz ZLZBDONREFTLQX-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO CC(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176189362 352063589 /nfs/dbraw/zinc/06/35/89/352063589.db2.gz PUEANUCJNNPXCD-UHFFFAOYSA-N 1 2 267.289 -0.045 20 5 CBBDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173777970 352040561 /nfs/dbraw/zinc/04/05/61/352040561.db2.gz CCDKOQRGAVWUJF-QWRGUYRKSA-N 1 2 297.315 -0.637 20 5 CBBDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173777970 352040567 /nfs/dbraw/zinc/04/05/67/352040567.db2.gz CCDKOQRGAVWUJF-QWRGUYRKSA-N 1 2 297.315 -0.637 20 5 CBBDLO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282398697 352604833 /nfs/dbraw/zinc/60/48/33/352604833.db2.gz XTQIFFWHZMTMJS-GXSJLCMTSA-N 1 2 297.315 -0.685 20 5 CBBDLO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282398697 352604834 /nfs/dbraw/zinc/60/48/34/352604834.db2.gz XTQIFFWHZMTMJS-GXSJLCMTSA-N 1 2 297.315 -0.685 20 5 CBBDLO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000330542466 352844053 /nfs/dbraw/zinc/84/40/53/352844053.db2.gz IUGGQZAAXDYWRJ-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000331172422 352888553 /nfs/dbraw/zinc/88/85/53/352888553.db2.gz OVPBBJDDYXHACM-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000331172422 352888554 /nfs/dbraw/zinc/88/85/54/352888554.db2.gz OVPBBJDDYXHACM-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(=O)N1C ZINC000337474937 353083772 /nfs/dbraw/zinc/08/37/72/353083772.db2.gz XRSSCCPVIZDDMF-JTQLQIEISA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(=O)N1C ZINC000337474937 353083776 /nfs/dbraw/zinc/08/37/76/353083776.db2.gz XRSSCCPVIZDDMF-JTQLQIEISA-N 1 2 294.311 -0.081 20 5 CBBDLO NC(=O)c1ccc(C[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000152418965 188017354 /nfs/dbraw/zinc/01/73/54/188017354.db2.gz CSODNDQDXLSOAJ-UHFFFAOYSA-N 1 2 278.268 -0.199 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000355503142 353593352 /nfs/dbraw/zinc/59/33/52/353593352.db2.gz FIBCMEMENGXPCT-ZJUUUORDSA-N 1 2 295.299 -0.517 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000355503142 353593354 /nfs/dbraw/zinc/59/33/54/353593354.db2.gz FIBCMEMENGXPCT-ZJUUUORDSA-N 1 2 295.299 -0.517 20 5 CBBDLO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cn1 ZINC000373028887 353725634 /nfs/dbraw/zinc/72/56/34/353725634.db2.gz LGVWYIZZIVTDJI-VWYCJHECSA-N 1 2 279.300 -0.442 20 5 CBBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000375065899 353753235 /nfs/dbraw/zinc/75/32/35/353753235.db2.gz QQFDMLLNKLJNLH-GUBZILKMSA-N 1 2 279.300 -0.442 20 5 CBBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000374403853 353745518 /nfs/dbraw/zinc/74/55/18/353745518.db2.gz IELGEVANXJQMBG-LLVKDONJSA-N 1 2 291.311 -0.281 20 5 CBBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000374403854 353745656 /nfs/dbraw/zinc/74/56/56/353745656.db2.gz IELGEVANXJQMBG-NSHDSACASA-N 1 2 291.311 -0.281 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547754492 354667545 /nfs/dbraw/zinc/66/75/45/354667545.db2.gz RGZZOFTWMMUTIS-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583630174 355021450 /nfs/dbraw/zinc/02/14/50/355021450.db2.gz MHHCADNNTZIUNU-UHFFFAOYSA-N 1 2 296.255 -0.138 20 5 CBBDLO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588866124 355061933 /nfs/dbraw/zinc/06/19/33/355061933.db2.gz AHXYJRDJERFGMX-VIFPVBQESA-N 1 2 283.284 -0.047 20 5 CBBDLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650501 355256427 /nfs/dbraw/zinc/25/64/27/355256427.db2.gz VKGHCESTXQBVOS-VIFPVBQESA-N 1 2 292.255 -0.387 20 5 CBBDLO Cc1noc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1[N+](=O)[O-] ZINC000595524238 355291297 /nfs/dbraw/zinc/29/12/97/355291297.db2.gz RBLZGILTSKWSHB-IUCAKERBSA-N 1 2 296.283 -0.019 20 5 CBBDLO Cc1noc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1[N+](=O)[O-] ZINC000595524238 355291301 /nfs/dbraw/zinc/29/13/01/355291301.db2.gz RBLZGILTSKWSHB-IUCAKERBSA-N 1 2 296.283 -0.019 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000596622069 355360596 /nfs/dbraw/zinc/36/05/96/355360596.db2.gz VGZIGIZLQRTPCW-KOLCDFICSA-N 1 2 295.295 -0.106 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000596622069 355360598 /nfs/dbraw/zinc/36/05/98/355360598.db2.gz VGZIGIZLQRTPCW-KOLCDFICSA-N 1 2 295.295 -0.106 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+](C)C)n1 ZINC000599202731 355472160 /nfs/dbraw/zinc/47/21/60/355472160.db2.gz GGCBFJARCHPOKL-UHFFFAOYSA-N 1 2 277.306 -0.832 20 5 CBBDLO Cn1cc(C[N@H+](C)CCOCCO)c([N+](=O)[O-])n1 ZINC000602659727 355666596 /nfs/dbraw/zinc/66/65/96/355666596.db2.gz WAFZSGBYTYTILG-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO Cn1cc(C[N@@H+](C)CCOCCO)c([N+](=O)[O-])n1 ZINC000602659727 355666598 /nfs/dbraw/zinc/66/65/98/355666598.db2.gz WAFZSGBYTYTILG-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000619789090 356227583 /nfs/dbraw/zinc/22/75/83/356227583.db2.gz FMBPRKUXCCVOBW-VXNVDRBHSA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000619789090 356227585 /nfs/dbraw/zinc/22/75/85/356227585.db2.gz FMBPRKUXCCVOBW-VXNVDRBHSA-N 1 2 283.288 -0.233 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330900954 203369354 /nfs/dbraw/zinc/36/93/54/203369354.db2.gz OSFARHUEMGFGMN-LLVKDONJSA-N 1 2 270.289 -0.089 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000330900954 203369357 /nfs/dbraw/zinc/36/93/57/203369357.db2.gz OSFARHUEMGFGMN-LLVKDONJSA-N 1 2 270.289 -0.089 20 5 CBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CCO)CC1 ZINC000105888038 372782504 /nfs/dbraw/zinc/78/25/04/372782504.db2.gz XUUMCEYHYNLKSV-UHFFFAOYSA-N 1 2 297.315 -0.764 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000269477830 372916855 /nfs/dbraw/zinc/91/68/55/372916855.db2.gz KXIAIJRKPGJYQW-VIFPVBQESA-N 1 2 266.305 -0.260 20 5 CBBDLO C[C@H]1C[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000522268565 373868180 /nfs/dbraw/zinc/86/81/80/373868180.db2.gz HIAWLJZBPZIDSK-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000522268565 373868184 /nfs/dbraw/zinc/86/81/84/373868184.db2.gz HIAWLJZBPZIDSK-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000552066167 374259464 /nfs/dbraw/zinc/25/94/64/374259464.db2.gz LVPPNXJMRYZAAS-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000552066167 374259468 /nfs/dbraw/zinc/25/94/68/374259468.db2.gz LVPPNXJMRYZAAS-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356418493 248249104 /nfs/dbraw/zinc/24/91/04/248249104.db2.gz ATMVICPLRFVKTJ-UHFFFAOYSA-N 1 2 297.315 -0.268 20 5 CBBDLO CN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278693850 194106302 /nfs/dbraw/zinc/10/63/02/194106302.db2.gz JJASNJAWWIWECK-RYUDHWBXSA-N 1 2 295.295 -0.405 20 5 CBBDLO O=[N+]([O-])c1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c2c(c1)COCO2 ZINC000278681805 194101194 /nfs/dbraw/zinc/10/11/94/194101194.db2.gz IWFMSTFTMOEGBU-RYUDHWBXSA-N 1 2 296.279 -0.001 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000266435661 190257609 /nfs/dbraw/zinc/25/76/09/190257609.db2.gz LOEORPFPELZDSI-SNVBAGLBSA-N 1 2 256.262 -0.516 20 5 CBBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278940965 194221604 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ZINC001025640952 798966391 /nfs/dbraw/zinc/96/63/91/798966391.db2.gz BHMRUYUGSGCFRQ-JZYVYDRUSA-N 1 2 279.300 -0.105 20 5 CBBDLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@H]21 ZINC001025640952 798966397 /nfs/dbraw/zinc/96/63/97/798966397.db2.gz BHMRUYUGSGCFRQ-JZYVYDRUSA-N 1 2 279.300 -0.105 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053253670 802245103 /nfs/dbraw/zinc/24/51/03/802245103.db2.gz UCDUMABATIPHIP-VXGBXAGGSA-N 1 2 295.339 -0.025 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCn1cc[nH+]c1 ZINC001321849785 803827366 /nfs/dbraw/zinc/82/73/66/803827366.db2.gz YJOHCVGGFCFODB-UHFFFAOYSA-N 1 2 279.260 -0.411 20 5 CBBDLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001323367765 804015863 /nfs/dbraw/zinc/01/58/63/804015863.db2.gz OJAIFPLHUGFMDD-UHFFFAOYSA-N 1 2 280.284 -0.470 20 5 CBBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001157772851 815464430 /nfs/dbraw/zinc/46/44/30/815464430.db2.gz QJPJKFIGWWBLQQ-JTQLQIEISA-N 1 2 295.299 -0.013 20 5 CBBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001157772851 815464436 /nfs/dbraw/zinc/46/44/36/815464436.db2.gz QJPJKFIGWWBLQQ-JTQLQIEISA-N 1 2 295.299 -0.013 20 5 CBBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001157769867 815464782 /nfs/dbraw/zinc/46/47/82/815464782.db2.gz CDGIFYMSRXPOGQ-JTQLQIEISA-N 1 2 295.299 -0.013 20 5 CBBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001157769867 815464786 /nfs/dbraw/zinc/46/47/86/815464786.db2.gz CDGIFYMSRXPOGQ-JTQLQIEISA-N 1 2 295.299 -0.013 20 5 CBBDLO O=C(NCCC[NH2+]Cc1cnsn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767789 815462691 /nfs/dbraw/zinc/46/26/91/815462691.db2.gz USPHVUAZJLAUJQ-RKDXNWHRSA-N 1 2 285.329 -0.201 20 5 CBBDLO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001116467701 812265121 /nfs/dbraw/zinc/26/51/21/812265121.db2.gz NYURAGCIUSCEDK-WCBMZHEXSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001116467701 812265126 /nfs/dbraw/zinc/26/51/26/812265126.db2.gz NYURAGCIUSCEDK-WCBMZHEXSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001116467699 812265406 /nfs/dbraw/zinc/26/54/06/812265406.db2.gz NYURAGCIUSCEDK-PSASIEDQSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001116467699 812265412 /nfs/dbraw/zinc/26/54/12/812265412.db2.gz NYURAGCIUSCEDK-PSASIEDQSA-N 1 2 297.315 -0.223 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])C[NH2+]1 ZINC001158251548 815515764 /nfs/dbraw/zinc/51/57/64/815515764.db2.gz NTRGBKBMVWPXQC-APPZFPTMSA-N 1 2 282.256 -0.456 20 5 CBBDLO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001118953422 812674970 /nfs/dbraw/zinc/67/49/70/812674970.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 1 2 269.261 -0.886 20 5 CBBDLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001118953422 812674976 /nfs/dbraw/zinc/67/49/76/812674976.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 1 2 269.261 -0.886 20 5 CBBDLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001126936886 813697367 /nfs/dbraw/zinc/69/73/67/813697367.db2.gz WCYGMUIMRHVWIY-HTQZYQBOSA-N 1 2 299.356 -0.029 20 5 CBBDLO O=C(NCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936579 813697845 /nfs/dbraw/zinc/69/78/45/813697845.db2.gz MCBLRXAFLKHBNP-RKDXNWHRSA-N 1 2 294.315 -0.447 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC001142103530 814687522 /nfs/dbraw/zinc/68/75/22/814687522.db2.gz NBMYFRAOXYWJOZ-QMMMGPOBSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC001142103530 814687527 /nfs/dbraw/zinc/68/75/27/814687527.db2.gz NBMYFRAOXYWJOZ-QMMMGPOBSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC001142103530 814687534 /nfs/dbraw/zinc/68/75/34/814687534.db2.gz NBMYFRAOXYWJOZ-QMMMGPOBSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC001142103530 814687536 /nfs/dbraw/zinc/68/75/36/814687536.db2.gz NBMYFRAOXYWJOZ-QMMMGPOBSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC001142103529 814687702 /nfs/dbraw/zinc/68/77/02/814687702.db2.gz NBMYFRAOXYWJOZ-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC001142103529 814687707 /nfs/dbraw/zinc/68/77/07/814687707.db2.gz NBMYFRAOXYWJOZ-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC001142103529 814687711 /nfs/dbraw/zinc/68/77/11/814687711.db2.gz NBMYFRAOXYWJOZ-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC001142103529 814687716 /nfs/dbraw/zinc/68/77/16/814687716.db2.gz NBMYFRAOXYWJOZ-MRVPVSSYSA-N 1 2 297.315 -0.235 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(OC)n1 ZINC001161945417 815795063 /nfs/dbraw/zinc/79/50/63/815795063.db2.gz JHFPJWKSFSVBNK-ZCFIWIBFSA-N 1 2 285.260 -0.304 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)ncc1[N+](=O)[O-] ZINC001161950593 815796841 /nfs/dbraw/zinc/79/68/41/815796841.db2.gz QYWAKLFMINJANJ-SSDOTTSWSA-N 1 2 269.261 -0.004 20 5 CBBDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001162680139 815838931 /nfs/dbraw/zinc/83/89/31/815838931.db2.gz GRZFRRKTVIPLEU-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001162680139 815838938 /nfs/dbraw/zinc/83/89/38/815838938.db2.gz GRZFRRKTVIPLEU-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO Cn1c[nH+]cc1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001165480946 819968496 /nfs/dbraw/zinc/96/84/96/819968496.db2.gz JECJKJQQIYQRSO-UHFFFAOYSA-N 1 2 291.267 -0.168 20 5 CBBDLO [NH3+]Cc1nc(=O)[nH]n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001168762109 820180848 /nfs/dbraw/zinc/18/08/48/820180848.db2.gz BZOFAWWQHISSCA-UHFFFAOYSA-N 1 2 275.228 -0.013 20 5 CBBDLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964160 820197213 /nfs/dbraw/zinc/19/72/13/820197213.db2.gz RDRSGYVZTKNTFX-GUBZILKMSA-N 1 2 260.290 -0.055 20 5 CBBDLO Cn1cc([C@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC001169044304 820201329 /nfs/dbraw/zinc/20/13/29/820201329.db2.gz LFDALUAVQNONCK-JTQLQIEISA-N 1 2 280.288 -0.115 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccon1 ZINC001279710745 828335026 /nfs/dbraw/zinc/33/50/26/828335026.db2.gz BVHLDXRWUJFPEC-GHMZBOCLSA-N 1 2 298.299 -0.750 20 5 CBBDLO C[N@@H+]1CCO[C@@H](COc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228142162 825312831 /nfs/dbraw/zinc/31/28/31/825312831.db2.gz ZNMQXKVRRFRVBK-SSDOTTSWSA-N 1 2 270.245 -0.200 20 5 CBBDLO C[N@H+]1CCO[C@@H](COc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228142162 825312836 /nfs/dbraw/zinc/31/28/36/825312836.db2.gz ZNMQXKVRRFRVBK-SSDOTTSWSA-N 1 2 270.245 -0.200 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCn1cc[nH+]c1 ZINC001328076453 885567394 /nfs/dbraw/zinc/56/73/94/885567394.db2.gz RJVSYEQHBITJKO-UHFFFAOYSA-N 1 2 293.287 -0.021 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2c[nH+]cn2C1 ZINC001330248053 886401220 /nfs/dbraw/zinc/40/12/20/886401220.db2.gz JCRCYNLFAJQDHN-QMMMGPOBSA-N 1 2 291.271 -0.486 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1NC[C@H]1C[NH+]2CCN1CC2 ZINC001334956441 888369908 /nfs/dbraw/zinc/36/99/08/888369908.db2.gz PRJNSUXPQQVHGP-VIFPVBQESA-N 1 2 266.305 -0.260 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)n1 ZINC001348968655 890742021 /nfs/dbraw/zinc/74/20/21/890742021.db2.gz BOWSQZDYYFPNFZ-UHFFFAOYSA-N 1 2 264.245 -0.008 20 5 CBBDLO CNS(=O)(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001351246011 891122030 /nfs/dbraw/zinc/12/20/30/891122030.db2.gz GMAUSGDKQPEOGB-UHFFFAOYSA-N 1 2 251.308 -0.723 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC001460252245 914782225 /nfs/dbraw/zinc/78/22/25/914782225.db2.gz MMLJMURVWLYGCR-SNVBAGLBSA-N 1 2 297.315 -0.324 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC001460252245 914782239 /nfs/dbraw/zinc/78/22/39/914782239.db2.gz MMLJMURVWLYGCR-SNVBAGLBSA-N 1 2 297.315 -0.324 20 5 CBBDLO Cn1ccnc1C1(O)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001460721292 914811124 /nfs/dbraw/zinc/81/11/24/914811124.db2.gz KXIFRIUOVGJSJW-UHFFFAOYSA-N 1 2 254.290 -0.020 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442988 915815513 /nfs/dbraw/zinc/81/55/13/915815513.db2.gz QGSCODYUWZPLKU-SCZZXKLOSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442988 915815529 /nfs/dbraw/zinc/81/55/29/915815529.db2.gz QGSCODYUWZPLKU-SCZZXKLOSA-N 1 2 270.289 -0.497 20 5 CBBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCO)CC1 ZINC001540691555 923262942 /nfs/dbraw/zinc/26/29/42/923262942.db2.gz VRYGXDISKVXLSL-UHFFFAOYSA-N 1 2 294.311 -0.073 20 5 CBBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000189756501 230187154 /nfs/dbraw/zinc/18/71/54/230187154.db2.gz MQQXNAATOOPNHF-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(=O)N1C ZINC000337474938 214105631 /nfs/dbraw/zinc/10/56/31/214105631.db2.gz XRSSCCPVIZDDMF-SNVBAGLBSA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(=O)N1C ZINC000337474938 214105633 /nfs/dbraw/zinc/10/56/33/214105633.db2.gz XRSSCCPVIZDDMF-SNVBAGLBSA-N 1 2 294.311 -0.081 20 5 CBBDLO O=[N+]([O-])c1cn(C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000048448710 351473596 /nfs/dbraw/zinc/47/35/96/351473596.db2.gz LTAGXPOIQRBGOX-VIFPVBQESA-N 1 2 256.262 -0.516 20 5 CBBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080943209 351701717 /nfs/dbraw/zinc/70/17/17/351701717.db2.gz DXWLFOXXAMDUBC-TUAOUCFPSA-N 1 2 283.328 -0.025 20 5 CBBDLO O=C1NC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000175934960 352061389 /nfs/dbraw/zinc/06/13/89/352061389.db2.gz KQGRXNXFZKRUKB-VIFPVBQESA-N 1 2 280.288 -0.499 20 5 CBBDLO O=C1NC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000175934960 352061390 /nfs/dbraw/zinc/06/13/90/352061390.db2.gz KQGRXNXFZKRUKB-VIFPVBQESA-N 1 2 280.288 -0.499 20 5 CBBDLO CC(=O)NC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176248512 352064360 /nfs/dbraw/zinc/06/43/60/352064360.db2.gz CIDIHBQMMOJUPY-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO CC(=O)NC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176248512 352064364 /nfs/dbraw/zinc/06/43/64/352064364.db2.gz CIDIHBQMMOJUPY-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186991851 352135219 /nfs/dbraw/zinc/13/52/19/352135219.db2.gz IZLRNPBRRGMSDE-SNVBAGLBSA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186991851 352135220 /nfs/dbraw/zinc/13/52/20/352135220.db2.gz IZLRNPBRRGMSDE-SNVBAGLBSA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@H]1C(=O)NCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189334948 352166840 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UFFNAGLMYKGPMI-UKKRHICBSA-N 1 2 271.317 -0.435 20 5 CBBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000886094303 584431069 /nfs/dbraw/zinc/43/10/69/584431069.db2.gz PAJKXEKDAISWMK-UWVGGRQHSA-N 1 2 253.258 -0.083 20 5 CBBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000886094303 584431071 /nfs/dbraw/zinc/43/10/71/584431071.db2.gz PAJKXEKDAISWMK-UWVGGRQHSA-N 1 2 253.258 -0.083 20 5 CBBDLO COCCn1nnc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000930568678 659306726 /nfs/dbraw/zinc/30/67/26/659306726.db2.gz ADTJGEXNBHUYCJ-UHFFFAOYSA-N 1 2 255.278 -0.441 20 5 CBBDLO COCCn1nnc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930568678 659306728 /nfs/dbraw/zinc/30/67/28/659306728.db2.gz ADTJGEXNBHUYCJ-UHFFFAOYSA-N 1 2 255.278 -0.441 20 5 CBBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140097 658016686 /nfs/dbraw/zinc/01/66/86/658016686.db2.gz YJPZFHIOIMFWMV-FNCVBFRFSA-N 1 2 297.340 -0.060 20 5 CBBDLO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022061460 790986454 /nfs/dbraw/zinc/98/64/54/790986454.db2.gz JFDCOKXMTGCYQM-UTINFBMNSA-N 1 2 295.299 -0.220 20 5 CBBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775937 798975691 /nfs/dbraw/zinc/97/56/91/798975691.db2.gz SGPKDXYGXRMWHI-ZIQFBCGOSA-N 1 2 292.295 -0.114 20 5 CBBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775937 798975697 /nfs/dbraw/zinc/97/56/97/798975697.db2.gz SGPKDXYGXRMWHI-ZIQFBCGOSA-N 1 2 292.295 -0.114 20 5 CBBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCO)C1 ZINC001042711601 801511362 /nfs/dbraw/zinc/51/13/62/801511362.db2.gz YZRDDULKJIWNQS-NXEZZACHSA-N 1 2 257.290 -0.823 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)n2)C[NH2+]1 ZINC001156248964 815351326 /nfs/dbraw/zinc/35/13/26/815351326.db2.gz RMTJJMGSFCKXRE-BQBZGAKWSA-N 1 2 281.272 -0.113 20 5 CBBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001157773733 815466091 /nfs/dbraw/zinc/46/60/91/815466091.db2.gz ZXNCVHLAWJPHAG-SNVBAGLBSA-N 1 2 295.299 -0.135 20 5 CBBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001157773733 815466092 /nfs/dbraw/zinc/46/60/92/815466092.db2.gz ZXNCVHLAWJPHAG-SNVBAGLBSA-N 1 2 295.299 -0.135 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc(OC)c2[N+](=O)[O-])C[NH2+]1 ZINC001158255314 815517480 /nfs/dbraw/zinc/51/74/80/815517480.db2.gz QDBFJJNTWZQSAC-RQJHMYQMSA-N 1 2 297.271 -0.291 20 5 CBBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001119548977 812805854 /nfs/dbraw/zinc/80/58/54/812805854.db2.gz ZYMUOUNDUXRQQU-UHFFFAOYSA-N 1 2 295.299 -0.089 20 5 CBBDLO Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932102 813695642 /nfs/dbraw/zinc/69/56/42/813695642.db2.gz IRHPQHUASGCSCI-NXEZZACHSA-N 1 2 279.300 -0.344 20 5 CBBDLO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126936656 813696691 /nfs/dbraw/zinc/69/66/91/813696691.db2.gz PCSYQXNYWQDFHY-HTQZYQBOSA-N 1 2 283.288 -0.497 20 5 CBBDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001301547391 816748132 /nfs/dbraw/zinc/74/81/32/816748132.db2.gz KHYVOMCEBIAXED-BWZBUEFSSA-N 1 2 254.246 -0.765 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCCn1cc[nH+]c1 ZINC001317922965 817055040 /nfs/dbraw/zinc/05/50/40/817055040.db2.gz OMFWDKJPKAMMEN-UHFFFAOYSA-N 1 2 265.233 -0.801 20 5 CBBDLO COCCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001318019796 817066085 /nfs/dbraw/zinc/06/60/85/817066085.db2.gz DHMJQADHZXOJPC-NXEZZACHSA-N 1 2 257.290 -0.512 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(=O)n(C)c2)C[NH2+]1 ZINC001164305485 819907811 /nfs/dbraw/zinc/90/78/11/819907811.db2.gz XTFCQJSBNSSKJQ-CBAPKCEASA-N 1 2 296.283 -0.391 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc([N+](=O)[O-])cn2)C[NH2+]1 ZINC001169132621 820211944 /nfs/dbraw/zinc/21/19/44/820211944.db2.gz URWHZOHOTFDWMJ-RQJHMYQMSA-N 1 2 267.245 -0.300 20 5 CBBDLO O=C(Cc1[nH]cc[nH+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC001261731143 826567393 /nfs/dbraw/zinc/56/73/93/826567393.db2.gz PHQSTMLARKRSAA-UHFFFAOYSA-N 1 2 264.245 -0.127 20 5 CBBDLO O=C(NCC1([NH2+]Cc2cnon2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326823798 885164743 /nfs/dbraw/zinc/16/47/43/885164743.db2.gz ZEVSWYROTFKQQE-NXEZZACHSA-N 1 2 295.299 -0.137 20 5 CBBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001329138814 885945612 /nfs/dbraw/zinc/94/56/12/885945612.db2.gz RNRLIRQWNBIFDC-UHFFFAOYSA-N 1 2 295.299 -0.089 20 5 CBBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001329490505 886093208 /nfs/dbraw/zinc/09/32/08/886093208.db2.gz LUDCUJVNCZJIRF-QMMMGPOBSA-N 1 2 297.271 -0.705 20 5 CBBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001339924256 889346562 /nfs/dbraw/zinc/34/65/62/889346562.db2.gz HIDVPSODSOHVCU-UHFFFAOYSA-N 1 2 277.240 -0.363 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC001454666121 914240234 /nfs/dbraw/zinc/24/02/34/914240234.db2.gz WSVTYJMPWIBFFT-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC001454666121 914240247 /nfs/dbraw/zinc/24/02/47/914240247.db2.gz WSVTYJMPWIBFFT-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC001454662592 914241600 /nfs/dbraw/zinc/24/16/00/914241600.db2.gz LMHMMEHDLTTWFT-SECBINFHSA-N 1 2 296.283 -0.556 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC001454662592 914241620 /nfs/dbraw/zinc/24/16/20/914241620.db2.gz LMHMMEHDLTTWFT-SECBINFHSA-N 1 2 296.283 -0.556 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1CO ZINC001454665510 914242583 /nfs/dbraw/zinc/24/25/83/914242583.db2.gz DHTUFUXITVSTBA-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1CO ZINC001454665510 914242596 /nfs/dbraw/zinc/24/25/96/914242596.db2.gz DHTUFUXITVSTBA-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO Cn1c[nH+]c(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001460736679 914814607 /nfs/dbraw/zinc/81/46/07/914814607.db2.gz TYASFZQMNAWBON-UHFFFAOYSA-N 1 2 278.272 -0.116 20 5 CBBDLO Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001483732946 917664723 /nfs/dbraw/zinc/66/47/23/917664723.db2.gz PXOPDJOEAPRCKY-RKDXNWHRSA-N 1 2 294.315 -0.483 20 5 CBBDLO Cn1c[nH+]c(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC001524816462 922650555 /nfs/dbraw/zinc/65/05/55/922650555.db2.gz ZZBQITQVGKGYBJ-UHFFFAOYSA-N 1 2 279.260 -0.721 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCn2cc[nH+]c2C1 ZINC001556275271 924051626 /nfs/dbraw/zinc/05/16/26/924051626.db2.gz JBBGJPUTFOKKQB-QMMMGPOBSA-N 1 2 291.271 -0.486 20 5 CBBDLO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001558968467 924207885 /nfs/dbraw/zinc/20/78/85/924207885.db2.gz RVWWANZASVCALB-FXPVBKGRSA-N 1 2 259.306 -0.530 20 5 CBBDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285358268 529784302 /nfs/dbraw/zinc/78/43/02/529784302.db2.gz ZRRMPQQPTNCUQA-ZETCQYMHSA-N 1 2 269.261 -0.622 20 5 CBBDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285358268 529784304 /nfs/dbraw/zinc/78/43/04/529784304.db2.gz ZRRMPQQPTNCUQA-ZETCQYMHSA-N 1 2 269.261 -0.622 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000351492196 219104352 /nfs/dbraw/zinc/10/43/52/219104352.db2.gz QJWMJVPPGOPTNJ-UHFFFAOYSA-N 1 2 253.262 -0.284 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046884488 351457074 /nfs/dbraw/zinc/45/70/74/351457074.db2.gz FYRFFJUVKSIKCL-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046884490 351457506 /nfs/dbraw/zinc/45/75/06/351457506.db2.gz FYRFFJUVKSIKCL-SNVBAGLBSA-N 1 2 297.315 -0.372 20 5 CBBDLO O=[N+]([O-])c1cn(C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000048448708 351473951 /nfs/dbraw/zinc/47/39/51/351473951.db2.gz LTAGXPOIQRBGOX-SECBINFHSA-N 1 2 256.262 -0.516 20 5 CBBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000048976580 351483831 /nfs/dbraw/zinc/48/38/31/351483831.db2.gz MLIVMCWEJLKNIZ-UHFFFAOYSA-N 1 2 279.300 -0.142 20 5 CBBDLO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000052610232 351519824 /nfs/dbraw/zinc/51/98/24/351519824.db2.gz BZDFTBCTLIPFDD-SNVBAGLBSA-N 1 2 297.315 -0.372 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136031971 351918675 /nfs/dbraw/zinc/91/86/75/351918675.db2.gz MZPQQKVBKJDMKG-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO CC(=O)NC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174867599 352051713 /nfs/dbraw/zinc/05/17/13/352051713.db2.gz LKZHGHOUYITZSB-LBPRGKRZSA-N 1 2 297.315 -0.372 20 5 CBBDLO CC(=O)NC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174867599 352051718 /nfs/dbraw/zinc/05/17/18/352051718.db2.gz LKZHGHOUYITZSB-LBPRGKRZSA-N 1 2 297.315 -0.372 20 5 CBBDLO COC(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173500510 352037776 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20 5 CBBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189565108 352171787 /nfs/dbraw/zinc/17/17/87/352171787.db2.gz CLINGQDELMIGSP-KOLCDFICSA-N 1 2 298.299 -0.210 20 5 CBBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189565108 352171789 /nfs/dbraw/zinc/17/17/89/352171789.db2.gz CLINGQDELMIGSP-KOLCDFICSA-N 1 2 298.299 -0.210 20 5 CBBDLO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282398706 352605251 /nfs/dbraw/zinc/60/52/51/352605251.db2.gz XTQIFFWHZMTMJS-ONGXEEELSA-N 1 2 297.315 -0.685 20 5 CBBDLO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282398706 352605253 /nfs/dbraw/zinc/60/52/53/352605253.db2.gz XTQIFFWHZMTMJS-ONGXEEELSA-N 1 2 297.315 -0.685 20 5 CBBDLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282934756 352613616 /nfs/dbraw/zinc/61/36/16/352613616.db2.gz YNVZKLQXWHNOEX-SNVBAGLBSA-N 1 2 297.315 -0.637 20 5 CBBDLO CC1(C)CNC(=O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 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O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000408032543 353830393 /nfs/dbraw/zinc/83/03/93/353830393.db2.gz YJVXNWYPWZAJPV-VIFPVBQESA-N 1 2 295.299 -0.135 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC000536583390 354608508 /nfs/dbraw/zinc/60/85/08/354608508.db2.gz LCVHKWRNJIWGOJ-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c([N+](=O)[O-])cnn2C)CCO1 ZINC000536583390 354608509 /nfs/dbraw/zinc/60/85/09/354608509.db2.gz LCVHKWRNJIWGOJ-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@H]1C[N@H+](CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC000540125162 354619774 /nfs/dbraw/zinc/61/97/74/354619774.db2.gz LISXPMJYKTXLHD-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@H]1C[N@@H+](CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC000540125162 354619775 /nfs/dbraw/zinc/61/97/75/354619775.db2.gz LISXPMJYKTXLHD-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000565301306 354735497 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ZINC000548941762 374222043 /nfs/dbraw/zinc/22/20/43/374222043.db2.gz HMRGPFAXFRNXGH-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO O=C1OC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000370570844 248794310 /nfs/dbraw/zinc/79/43/10/248794310.db2.gz WUYLMGCIRGSMJZ-VIFPVBQESA-N 1 2 281.272 -0.072 20 5 CBBDLO O=C1OC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000370570844 248794312 /nfs/dbraw/zinc/79/43/12/248794312.db2.gz WUYLMGCIRGSMJZ-VIFPVBQESA-N 1 2 281.272 -0.072 20 5 CBBDLO O=[N+]([O-])c1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c2c(c1)COCO2 ZINC000278681827 194099949 /nfs/dbraw/zinc/09/99/49/194099949.db2.gz IWFMSTFTMOEGBU-VXGBXAGGSA-N 1 2 296.279 -0.001 20 5 CBBDLO Cc1n[nH]c(C(=O)N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000267969596 190365773 /nfs/dbraw/zinc/36/57/73/190365773.db2.gz UCZUFYWYVONAMD-UHFFFAOYSA-N 1 2 283.288 -0.624 20 5 CBBDLO Cc1[nH]nc(C(=O)N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000267969596 190365774 /nfs/dbraw/zinc/36/57/74/190365774.db2.gz UCZUFYWYVONAMD-UHFFFAOYSA-N 1 2 283.288 -0.624 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3n[nH]nc3C2)n1 ZINC000429309795 208119641 /nfs/dbraw/zinc/11/96/41/208119641.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 1 2 263.261 -0.032 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3n[nH]nc3C2)n1 ZINC000429309795 208119643 /nfs/dbraw/zinc/11/96/43/208119643.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 1 2 263.261 -0.032 20 5 CBBDLO Cn1c(C(=O)N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000035187745 172042846 /nfs/dbraw/zinc/04/28/46/172042846.db2.gz NZRXTCCKSDRDTC-UHFFFAOYSA-N 1 2 282.300 -0.317 20 5 CBBDLO COC(=O)CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000355242571 419862052 /nfs/dbraw/zinc/86/20/52/419862052.db2.gz QQIZDILZIUXHQW-UHFFFAOYSA-N 1 2 297.315 -0.418 20 5 CBBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364540757 420041639 /nfs/dbraw/zinc/04/16/39/420041639.db2.gz DDYWNYUFUSAWDY-VWYCJHECSA-N 1 2 269.301 -0.369 20 5 CBBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364540757 420041642 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-0.090 20 5 CBBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599159408 420491631 /nfs/dbraw/zinc/49/16/31/420491631.db2.gz BNGPQILJIROJDS-SECBINFHSA-N 1 2 292.299 0.380 20 5 CBBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599159408 420491632 /nfs/dbraw/zinc/49/16/32/420491632.db2.gz BNGPQILJIROJDS-SECBINFHSA-N 1 2 292.299 0.380 20 5 CBBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278864004 534298298 /nfs/dbraw/zinc/29/82/98/534298298.db2.gz SEVOKZFEEVOTGL-GGZOMVNGSA-N 1 2 295.295 -0.041 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000356733846 534827235 /nfs/dbraw/zinc/82/72/35/534827235.db2.gz ULNPEZUEAFZXLZ-VIFPVBQESA-N 1 2 294.315 -0.942 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2CCO)n1 ZINC000767605955 582332798 /nfs/dbraw/zinc/33/27/98/582332798.db2.gz HXRHOHFPIOKBIK-JTQLQIEISA-N 1 2 270.289 -0.126 20 5 CBBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2CCO)n1 ZINC000767605955 582332799 /nfs/dbraw/zinc/33/27/99/582332799.db2.gz HXRHOHFPIOKBIK-JTQLQIEISA-N 1 2 270.289 -0.126 20 5 CBBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000824116644 582687544 /nfs/dbraw/zinc/68/75/44/582687544.db2.gz MMJNQVYLCZOTAP-FXBDTBDDSA-N 1 2 250.258 -0.021 20 5 CBBDLO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000839658990 583157287 /nfs/dbraw/zinc/15/72/87/583157287.db2.gz WCBZAJMQVTZUJH-LNFKQOIKSA-N 1 2 271.317 -0.123 20 5 CBBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839762578 583159801 /nfs/dbraw/zinc/15/98/01/583159801.db2.gz SMSGCLMWHYFIJJ-DDHJBXDOSA-N 1 2 283.328 -0.027 20 5 CBBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839782474 583159900 /nfs/dbraw/zinc/15/99/00/583159900.db2.gz KNWMENCHFFEVMJ-LMLFDSFASA-N 1 2 269.301 -0.369 20 5 CBBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839782474 583159903 /nfs/dbraw/zinc/15/99/03/583159903.db2.gz KNWMENCHFFEVMJ-LMLFDSFASA-N 1 2 269.301 -0.369 20 5 CBBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000840424862 583164735 /nfs/dbraw/zinc/16/47/35/583164735.db2.gz FGGHTEINJIJZNI-UKKRHICBSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000840424862 583164737 /nfs/dbraw/zinc/16/47/37/583164737.db2.gz FGGHTEINJIJZNI-UKKRHICBSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841457614 583170768 /nfs/dbraw/zinc/17/07/68/583170768.db2.gz UFFNAGLMYKGPMI-GWOFURMSSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841457614 583170769 /nfs/dbraw/zinc/17/07/69/583170769.db2.gz UFFNAGLMYKGPMI-GWOFURMSSA-N 1 2 271.317 -0.435 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854113160 583595510 /nfs/dbraw/zinc/59/55/10/583595510.db2.gz DAYOVXMJZFNGJZ-GRYCIOLGSA-N 1 2 295.295 -0.451 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854113160 583595512 /nfs/dbraw/zinc/59/55/12/583595512.db2.gz DAYOVXMJZFNGJZ-GRYCIOLGSA-N 1 2 295.295 -0.451 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1CO ZINC000863982160 583865987 /nfs/dbraw/zinc/86/59/87/583865987.db2.gz UXUDUAXEJZCGJX-ZETCQYMHSA-N 1 2 269.261 -0.934 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1CO ZINC000863982160 583865990 /nfs/dbraw/zinc/86/59/90/583865990.db2.gz UXUDUAXEJZCGJX-ZETCQYMHSA-N 1 2 269.261 -0.934 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896536098 584701509 /nfs/dbraw/zinc/70/15/09/584701509.db2.gz VGPCPSHTCSGTNA-DBIOUOCHSA-N 1 2 270.333 -0.598 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896536098 584701511 /nfs/dbraw/zinc/70/15/11/584701511.db2.gz VGPCPSHTCSGTNA-DBIOUOCHSA-N 1 2 270.333 -0.598 20 5 CBBDLO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001020139101 658016665 /nfs/dbraw/zinc/01/66/65/658016665.db2.gz QNBYDDWWJJLBMV-ZYUZMQFOSA-N 1 2 295.299 -0.220 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000687592650 790655544 /nfs/dbraw/zinc/65/55/44/790655544.db2.gz BCMQBQZHYRVBEJ-SNVBAGLBSA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687592650 790655547 /nfs/dbraw/zinc/65/55/47/790655547.db2.gz BCMQBQZHYRVBEJ-SNVBAGLBSA-N 1 2 282.300 -0.318 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039583181 801298425 /nfs/dbraw/zinc/29/84/25/801298425.db2.gz GDGCTUXKXVFMKN-WRWGMCAJSA-N 1 2 283.328 -0.291 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039583181 801298426 /nfs/dbraw/zinc/29/84/26/801298426.db2.gz GDGCTUXKXVFMKN-WRWGMCAJSA-N 1 2 283.328 -0.291 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](CO)C1 ZINC001149368194 814987133 /nfs/dbraw/zinc/98/71/33/814987133.db2.gz ONXKWRUXWYQIMC-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](CO)C1 ZINC001149368194 814987137 /nfs/dbraw/zinc/98/71/37/814987137.db2.gz ONXKWRUXWYQIMC-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO COc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155570867 815294299 /nfs/dbraw/zinc/29/42/99/815294299.db2.gz PWGYMYQIQLUARV-RDDDGLTNSA-N 1 2 294.271 -0.617 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[NH2+]1 ZINC001156249064 815350786 /nfs/dbraw/zinc/35/07/86/815350786.db2.gz XEELQSUTFORUBR-XPUUQOCRSA-N 1 2 281.272 -0.113 20 5 CBBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157770907 815464481 /nfs/dbraw/zinc/46/44/81/815464481.db2.gz VRVLVNFRTGTALT-SNVBAGLBSA-N 1 2 296.283 -0.478 20 5 CBBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157770907 815464487 /nfs/dbraw/zinc/46/44/87/815464487.db2.gz VRVLVNFRTGTALT-SNVBAGLBSA-N 1 2 296.283 -0.478 20 5 CBBDLO CCc1noc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157775643 815465921 /nfs/dbraw/zinc/46/59/21/815465921.db2.gz UDDMDMQELQPRIV-RKDXNWHRSA-N 1 2 297.315 -0.107 20 5 CBBDLO CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001157761122 815462813 /nfs/dbraw/zinc/46/28/13/815462813.db2.gz NQSRQIVGXWXFMN-RKDXNWHRSA-N 1 2 297.315 -0.107 20 5 CBBDLO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001116467700 812264885 /nfs/dbraw/zinc/26/48/85/812264885.db2.gz NYURAGCIUSCEDK-SCZZXKLOSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001116467700 812264891 /nfs/dbraw/zinc/26/48/91/812264891.db2.gz NYURAGCIUSCEDK-SCZZXKLOSA-N 1 2 297.315 -0.223 20 5 CBBDLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001175388519 820424917 /nfs/dbraw/zinc/42/49/17/820424917.db2.gz CKMQQOWKSXZSMV-QMMMGPOBSA-N 1 2 251.308 -0.594 20 5 CBBDLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001175388519 820424926 /nfs/dbraw/zinc/42/49/26/820424926.db2.gz CKMQQOWKSXZSMV-QMMMGPOBSA-N 1 2 251.308 -0.594 20 5 CBBDLO CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932019 813694305 /nfs/dbraw/zinc/69/43/05/813694305.db2.gz FIILYHZOEFMGKE-NXEZZACHSA-N 1 2 296.331 -0.523 20 5 CBBDLO CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932461 813695060 /nfs/dbraw/zinc/69/50/60/813695060.db2.gz YVRAPIHZZMCVII-NXEZZACHSA-N 1 2 281.316 -0.226 20 5 CBBDLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126932077 813695186 /nfs/dbraw/zinc/69/51/86/813695186.db2.gz HHTSZUBUIUGQOP-HTQZYQBOSA-N 1 2 269.261 -0.751 20 5 CBBDLO O=C(NCC[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936446 813696543 /nfs/dbraw/zinc/69/65/43/813696543.db2.gz IJMQRRNVIKMLOB-VXGBXAGGSA-N 1 2 293.327 -0.300 20 5 CBBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001161635653 815775865 /nfs/dbraw/zinc/77/58/65/815775865.db2.gz XCKDATCQCAUASB-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001161635653 815775867 /nfs/dbraw/zinc/77/58/67/815775867.db2.gz XCKDATCQCAUASB-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001301547394 816748954 /nfs/dbraw/zinc/74/89/54/816748954.db2.gz KHYVOMCEBIAXED-GJMOJQLCSA-N 1 2 254.246 -0.765 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](CO)C1 ZINC001301605137 816750450 /nfs/dbraw/zinc/75/04/50/816750450.db2.gz CNJLAZIMKYWLML-SSDOTTSWSA-N 1 2 269.261 -0.934 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](CO)C1 ZINC001301605137 816750453 /nfs/dbraw/zinc/75/04/53/816750453.db2.gz CNJLAZIMKYWLML-SSDOTTSWSA-N 1 2 269.261 -0.934 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC001319765935 817241048 /nfs/dbraw/zinc/24/10/48/817241048.db2.gz HSWWVZWGXNPWLA-UHFFFAOYSA-N 1 2 283.288 -0.922 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2nccnc2[N+](=O)[O-])C[NH2+]1 ZINC001164301544 819905556 /nfs/dbraw/zinc/90/55/56/819905556.db2.gz CRSOVVJNBXGZHO-BQBZGAKWSA-N 1 2 267.245 -0.300 20 5 CBBDLO Cn1cc(C[N@@H+]2CCCN(C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC001167279050 820077402 /nfs/dbraw/zinc/07/74/02/820077402.db2.gz DGOXGGMMVGFMTF-UHFFFAOYSA-N 1 2 282.304 -0.085 20 5 CBBDLO Cn1cc(C[N@H+]2CCCN(C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC001167279050 820077408 /nfs/dbraw/zinc/07/74/08/820077408.db2.gz DGOXGGMMVGFMTF-UHFFFAOYSA-N 1 2 282.304 -0.085 20 5 CBBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)ncc1F ZINC001225880842 825267188 /nfs/dbraw/zinc/26/71/88/825267188.db2.gz BGFDTNKPFWBGLX-SSDOTTSWSA-O 1 2 274.272 -0.316 20 5 CBBDLO Cn1nncc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265845290 826928631 /nfs/dbraw/zinc/92/86/31/826928631.db2.gz IWXMVWFCPYPUPZ-GHMZBOCLSA-N 1 2 296.331 -0.582 20 5 CBBDLO Cn1nncc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265845290 826928640 /nfs/dbraw/zinc/92/86/40/826928640.db2.gz IWXMVWFCPYPUPZ-GHMZBOCLSA-N 1 2 296.331 -0.582 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1[nH]cc[nH+]1 ZINC001444199708 912386275 /nfs/dbraw/zinc/38/62/75/912386275.db2.gz NQDXFCNFJLTNRF-UHFFFAOYSA-N 1 2 265.233 -0.732 20 5 CBBDLO Cc1nnc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC001347140730 890412063 /nfs/dbraw/zinc/41/20/63/890412063.db2.gz YTWQXQKLMKXQLR-JTQLQIEISA-N 1 2 296.287 -0.024 20 5 CBBDLO Cc1nnc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC001347140730 890412066 /nfs/dbraw/zinc/41/20/66/890412066.db2.gz YTWQXQKLMKXQLR-JTQLQIEISA-N 1 2 296.287 -0.024 20 5 CBBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C ZINC001492949971 919454696 /nfs/dbraw/zinc/45/46/96/919454696.db2.gz DPNVTVAGDZXIHB-GHMZBOCLSA-N 1 2 296.331 -0.582 20 5 CBBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C ZINC001492949971 919454702 /nfs/dbraw/zinc/45/47/02/919454702.db2.gz DPNVTVAGDZXIHB-GHMZBOCLSA-N 1 2 296.331 -0.582 20 5 CBBDLO Cc1nonc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493544894 919576747 /nfs/dbraw/zinc/57/67/47/919576747.db2.gz JQKKQAYDDOWXEW-PSASIEDQSA-N 1 2 283.288 -0.409 20 5 CBBDLO CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496702358 920120365 /nfs/dbraw/zinc/12/03/65/920120365.db2.gz RJHRARXENYMWOV-NXEZZACHSA-N 1 2 286.332 -0.822 20 5 CBBDLO CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496702358 920120369 /nfs/dbraw/zinc/12/03/69/920120369.db2.gz RJHRARXENYMWOV-NXEZZACHSA-N 1 2 286.332 -0.822 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001556275270 924051175 /nfs/dbraw/zinc/05/11/75/924051175.db2.gz JBBGJPUTFOKKQB-MRVPVSSYSA-N 1 2 291.271 -0.486 20 5 CBBDLO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001558968468 924206853 /nfs/dbraw/zinc/20/68/53/924206853.db2.gz RVWWANZASVCALB-KKZNHRDASA-N 1 2 259.306 -0.530 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053231086 351526624 /nfs/dbraw/zinc/52/66/24/351526624.db2.gz XACVTXWOUCMCKU-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866669 351829934 /nfs/dbraw/zinc/82/99/34/351829934.db2.gz ODPYATZYLOEAAH-MRVPVSSYSA-N 1 2 265.273 -0.039 20 5 CBBDLO NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866669 351829935 /nfs/dbraw/zinc/82/99/35/351829935.db2.gz ODPYATZYLOEAAH-MRVPVSSYSA-N 1 2 265.273 -0.039 20 5 CBBDLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173753318 352040645 /nfs/dbraw/zinc/04/06/45/352040645.db2.gz NNAZTLVVXOXBOL-JTQLQIEISA-N 1 2 297.315 -0.637 20 5 CBBDLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173753318 352040648 /nfs/dbraw/zinc/04/06/48/352040648.db2.gz NNAZTLVVXOXBOL-JTQLQIEISA-N 1 2 297.315 -0.637 20 5 CBBDLO CNC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000184063115 352111027 /nfs/dbraw/zinc/11/10/27/352111027.db2.gz FUONVQOOUGCMQM-SECBINFHSA-N 1 2 283.288 -0.762 20 5 CBBDLO CNC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000184063115 352111033 /nfs/dbraw/zinc/11/10/33/352111033.db2.gz FUONVQOOUGCMQM-SECBINFHSA-N 1 2 283.288 -0.762 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(F)(F)CO)c1 ZINC000228745452 352265371 /nfs/dbraw/zinc/26/53/71/352265371.db2.gz HNTPTRRNGKOYBA-QMMMGPOBSA-N 1 2 280.231 -0.631 20 5 CBBDLO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000269629682 352477014 /nfs/dbraw/zinc/47/70/14/352477014.db2.gz VTFDNAWEERISSO-SECBINFHSA-N 1 2 294.315 -0.644 20 5 CBBDLO CCOC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000296153761 352708460 /nfs/dbraw/zinc/70/84/60/352708460.db2.gz MUDNBFKZKXCHRV-SNVBAGLBSA-N 1 2 270.289 -0.127 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000331123113 352881259 /nfs/dbraw/zinc/88/12/59/352881259.db2.gz CAPKIBOKQNXXSO-JTQLQIEISA-N 1 2 256.262 -0.516 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](CO)C2)c1 ZINC000331123113 352881260 /nfs/dbraw/zinc/88/12/60/352881260.db2.gz CAPKIBOKQNXXSO-JTQLQIEISA-N 1 2 256.262 -0.516 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000331150241 352885046 /nfs/dbraw/zinc/88/50/46/352885046.db2.gz AMIVRDJPELNMKW-SECBINFHSA-N 1 2 297.315 -0.128 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000331150241 352885051 /nfs/dbraw/zinc/88/50/51/352885051.db2.gz AMIVRDJPELNMKW-SECBINFHSA-N 1 2 297.315 -0.128 20 5 CBBDLO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000331198646 352890871 /nfs/dbraw/zinc/89/08/71/352890871.db2.gz MLEJPBLZZDLGJN-SNVBAGLBSA-N 1 2 297.315 -0.372 20 5 CBBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364540755 353672176 /nfs/dbraw/zinc/67/21/76/353672176.db2.gz DDYWNYUFUSAWDY-OUAUKWLOSA-N 1 2 269.301 -0.369 20 5 CBBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364540755 353672177 /nfs/dbraw/zinc/67/21/77/353672177.db2.gz DDYWNYUFUSAWDY-OUAUKWLOSA-N 1 2 269.301 -0.369 20 5 CBBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000376189399 353772707 /nfs/dbraw/zinc/77/27/07/353772707.db2.gz SMSGCLMWHYFIJJ-WRWGMCAJSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000534272134 354596774 /nfs/dbraw/zinc/59/67/74/354596774.db2.gz UEMJUSUVIMCYOF-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000534272134 354596775 /nfs/dbraw/zinc/59/67/75/354596775.db2.gz UEMJUSUVIMCYOF-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)cn1 ZINC000564668667 354715831 /nfs/dbraw/zinc/71/58/31/354715831.db2.gz ISJDTDANNNCHKG-NWDGAFQWSA-N 1 2 294.311 -0.129 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000547840758 354670330 /nfs/dbraw/zinc/67/03/30/354670330.db2.gz QYQLVSWYBLFCDO-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])nn2C)CCO1 ZINC000547840758 354670332 /nfs/dbraw/zinc/67/03/32/354670332.db2.gz QYQLVSWYBLFCDO-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC000590599674 355085296 /nfs/dbraw/zinc/08/52/96/355085296.db2.gz KNALSAKRHSPOBJ-GFCCVEGCSA-N 1 2 292.299 -0.136 20 5 CBBDLO O=[N+]([O-])c1cnn(CCNc2[nH+]cnc3c2OCCN3)c1 ZINC000591150674 355092418 /nfs/dbraw/zinc/09/24/18/355092418.db2.gz GTFGHSFZOAERGF-UHFFFAOYSA-N 1 2 291.271 -0.390 20 5 CBBDLO O=[N+]([O-])c1cnn(CCNc2nc[nH+]c3c2OCCN3)c1 ZINC000591150674 355092421 /nfs/dbraw/zinc/09/24/21/355092421.db2.gz GTFGHSFZOAERGF-UHFFFAOYSA-N 1 2 291.271 -0.390 20 5 CBBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108219 355271500 /nfs/dbraw/zinc/27/15/00/355271500.db2.gz KUQSYICUZWWCMI-UHFFFAOYSA-N 1 2 296.255 -0.138 20 5 CBBDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597615549 355401256 /nfs/dbraw/zinc/40/12/56/355401256.db2.gz FTOPRAJZDCHVNS-SECBINFHSA-N 1 2 298.299 -0.654 20 5 CBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942502 355455692 /nfs/dbraw/zinc/45/56/92/355455692.db2.gz BUYOSJPGKNGNCB-QMMMGPOBSA-N 1 2 276.256 -0.271 20 5 CBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942501 355456252 /nfs/dbraw/zinc/45/62/52/355456252.db2.gz BUYOSJPGKNGNCB-MRVPVSSYSA-N 1 2 276.256 -0.271 20 5 CBBDLO Cn1c(C(=O)NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600423881 355544620 /nfs/dbraw/zinc/54/46/20/355544620.db2.gz IEDANKLWHNTFBH-SECBINFHSA-N 1 2 282.300 -0.006 20 5 CBBDLO Cn1c(C(=O)NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600423881 355544623 /nfs/dbraw/zinc/54/46/23/355544623.db2.gz IEDANKLWHNTFBH-SECBINFHSA-N 1 2 282.300 -0.006 20 5 CBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767321 355513964 /nfs/dbraw/zinc/51/39/64/355513964.db2.gz VRKIXNLWTIHYDP-SECBINFHSA-N 1 2 295.299 -0.136 20 5 CBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767321 355513965 /nfs/dbraw/zinc/51/39/65/355513965.db2.gz VRKIXNLWTIHYDP-SECBINFHSA-N 1 2 295.299 -0.136 20 5 CBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767322 355514106 /nfs/dbraw/zinc/51/41/06/355514106.db2.gz VRKIXNLWTIHYDP-VIFPVBQESA-N 1 2 295.299 -0.136 20 5 CBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767322 355514111 /nfs/dbraw/zinc/51/41/11/355514111.db2.gz VRKIXNLWTIHYDP-VIFPVBQESA-N 1 2 295.299 -0.136 20 5 CBBDLO Cn1cc(C[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])n1 ZINC000602466053 355651953 /nfs/dbraw/zinc/65/19/53/355651953.db2.gz VNLCVQAOVUWQIK-UHFFFAOYSA-N 1 2 253.262 -0.350 20 5 CBBDLO Cn1cc(C[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])n1 ZINC000602466053 355651957 /nfs/dbraw/zinc/65/19/57/355651957.db2.gz VNLCVQAOVUWQIK-UHFFFAOYSA-N 1 2 253.262 -0.350 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000602777229 355671182 /nfs/dbraw/zinc/67/11/82/355671182.db2.gz CHJLWLGTYHWLCO-SNVBAGLBSA-N 1 2 294.315 -0.191 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000602777229 355671185 /nfs/dbraw/zinc/67/11/85/355671185.db2.gz CHJLWLGTYHWLCO-SNVBAGLBSA-N 1 2 294.315 -0.191 20 5 CBBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000619787347 356227628 /nfs/dbraw/zinc/22/76/28/356227628.db2.gz DIIPSWCBGNDUOD-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000273574249 192210815 /nfs/dbraw/zinc/21/08/15/192210815.db2.gz YSPMKTLBMHNZQZ-LLVKDONJSA-N 1 2 297.315 -0.684 20 5 CBBDLO CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000273574249 192210817 /nfs/dbraw/zinc/21/08/17/192210817.db2.gz YSPMKTLBMHNZQZ-LLVKDONJSA-N 1 2 297.315 -0.684 20 5 CBBDLO CNC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000184051022 189374952 /nfs/dbraw/zinc/37/49/52/189374952.db2.gz PRZWHXBRFQVGGD-JTQLQIEISA-N 1 2 283.288 -0.762 20 5 CBBDLO CNC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000184051022 189374953 /nfs/dbraw/zinc/37/49/53/189374953.db2.gz PRZWHXBRFQVGGD-JTQLQIEISA-N 1 2 283.288 -0.762 20 5 CBBDLO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCO ZINC000330602154 203026147 /nfs/dbraw/zinc/02/61/47/203026147.db2.gz ITXKOERNETZWEN-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCO ZINC000330602154 203026148 /nfs/dbraw/zinc/02/61/48/203026148.db2.gz ITXKOERNETZWEN-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO Cc1nn(C)c(C(=O)N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000330594659 203015313 /nfs/dbraw/zinc/01/53/13/203015313.db2.gz BEKACVAQTVGGLY-UHFFFAOYSA-N 1 2 297.315 -0.613 20 5 CBBDLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000330814438 203270402 /nfs/dbraw/zinc/27/04/02/203270402.db2.gz BNCVIAWTVUAIBC-UHFFFAOYSA-N 1 2 294.311 -0.079 20 5 CBBDLO COC(=O)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276506455 193360347 /nfs/dbraw/zinc/36/03/47/193360347.db2.gz YVEGYALLLOLGFO-GHMZBOCLSA-N 1 2 298.299 -0.307 20 5 CBBDLO COC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276506467 193360654 /nfs/dbraw/zinc/36/06/54/193360654.db2.gz YVEGYALLLOLGFO-WDEREUQCSA-N 1 2 298.299 -0.307 20 5 CBBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356462412 248254886 /nfs/dbraw/zinc/25/48/86/248254886.db2.gz QRCKCQOHQHUJJQ-UHFFFAOYSA-N 1 2 264.245 -0.008 20 5 CBBDLO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369151677 248777179 /nfs/dbraw/zinc/77/71/79/248777179.db2.gz GNSNOARCIPBGHI-RKDXNWHRSA-N 1 2 294.315 -0.692 20 5 CBBDLO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369151677 248777181 /nfs/dbraw/zinc/77/71/81/248777181.db2.gz GNSNOARCIPBGHI-RKDXNWHRSA-N 1 2 294.315 -0.692 20 5 CBBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278556883 194043000 /nfs/dbraw/zinc/04/30/00/194043000.db2.gz BFKUKUQKNZCIGM-GGZOMVNGSA-N 1 2 295.295 -0.041 20 5 CBBDLO Cn1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000437306107 208302995 /nfs/dbraw/zinc/30/29/95/208302995.db2.gz LNRYXOMRMRWFBF-SNVBAGLBSA-N 1 2 293.327 -0.337 20 5 CBBDLO C[C@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO ZINC000443343116 208387359 /nfs/dbraw/zinc/38/73/59/208387359.db2.gz GAFQRMPZXFSYJR-IUCAKERBSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO ZINC000443343116 208387364 /nfs/dbraw/zinc/38/73/64/208387364.db2.gz GAFQRMPZXFSYJR-IUCAKERBSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000022238429 171380488 /nfs/dbraw/zinc/38/04/88/171380488.db2.gz PFHROZRJFDWCQJ-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCOCC1 ZINC000285218466 196223988 /nfs/dbraw/zinc/22/39/88/196223988.db2.gz QAKLVEKQRKVLQS-MRVPVSSYSA-N 1 2 283.288 -0.232 20 5 CBBDLO Nc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000364042009 420029332 /nfs/dbraw/zinc/02/93/32/420029332.db2.gz ZLOZVWPYRNLLEC-VIFPVBQESA-N 1 2 294.315 -0.122 20 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C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839662146 583157095 /nfs/dbraw/zinc/15/70/95/583157095.db2.gz VSWPFBLMUNIKSQ-IVZWLZJFSA-N 1 2 257.290 -0.823 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000839658989 583157487 /nfs/dbraw/zinc/15/74/87/583157487.db2.gz WCBZAJMQVTZUJH-LMLFDSFASA-N 1 2 271.317 -0.123 20 5 CBBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839654576 583157504 /nfs/dbraw/zinc/15/75/04/583157504.db2.gz MPPNBZZEPRRTFV-OPRDCNLKSA-N 1 2 257.290 -0.512 20 5 CBBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839654576 583157505 /nfs/dbraw/zinc/15/75/05/583157505.db2.gz MPPNBZZEPRRTFV-OPRDCNLKSA-N 1 2 257.290 -0.512 20 5 CBBDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000839688421 583157704 /nfs/dbraw/zinc/15/77/04/583157704.db2.gz RIABMOYYACHQMX-GMTAPVOTSA-N 1 2 271.317 -0.264 20 5 CBBDLO CON1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000846976036 583394720 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CN(C)S(=O)(=O)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930523081 659301477 /nfs/dbraw/zinc/30/14/77/659301477.db2.gz SKDPQUDFCWVSNS-UHFFFAOYSA-N 1 2 280.350 -0.923 20 5 CBBDLO COC(=O)C1=NO[C@]2(CC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000931533267 659480234 /nfs/dbraw/zinc/48/02/34/659480234.db2.gz VVBSJYLEMMCZSF-SNVBAGLBSA-N 1 2 257.246 -0.343 20 5 CBBDLO COC(=O)C1=NO[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000931533267 659480263 /nfs/dbraw/zinc/48/02/63/659480263.db2.gz VVBSJYLEMMCZSF-SNVBAGLBSA-N 1 2 257.246 -0.343 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000699458820 790703979 /nfs/dbraw/zinc/70/39/79/790703979.db2.gz SWWKBEMOLAULKO-JTQLQIEISA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000699458820 790703982 /nfs/dbraw/zinc/70/39/82/790703982.db2.gz SWWKBEMOLAULKO-JTQLQIEISA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030292583 799290277 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CBBDLO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001116467702 812265073 /nfs/dbraw/zinc/26/50/73/812265073.db2.gz NYURAGCIUSCEDK-WPRPVWTQSA-N 1 2 297.315 -0.223 20 5 CBBDLO O=C(NCC[NH2+]Cc1nnc(C2CC2)o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943055 813697175 /nfs/dbraw/zinc/69/71/75/813697175.db2.gz IQYSFSCUOOACIL-RKDXNWHRSA-N 1 2 295.299 -0.182 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141318897 814652220 /nfs/dbraw/zinc/65/22/20/814652220.db2.gz JPGPRAXDBJUIAU-AXTSPUMRSA-N 1 2 257.265 -0.094 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141318897 814652224 /nfs/dbraw/zinc/65/22/24/814652224.db2.gz JPGPRAXDBJUIAU-AXTSPUMRSA-N 1 2 257.265 -0.094 20 5 CBBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001161635683 815776714 /nfs/dbraw/zinc/77/67/14/815776714.db2.gz XSSVNOUXJADZPS-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001161635683 815776720 /nfs/dbraw/zinc/77/67/20/815776720.db2.gz XSSVNOUXJADZPS-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO O=C1CC2(CN(c3ncc([N+](=O)[O-])cc3F)C2)[NH2+]CCN1 ZINC001307177022 816798135 /nfs/dbraw/zinc/79/81/35/816798135.db2.gz MLNKBYGFKHFDQR-UHFFFAOYSA-N 1 2 295.274 -0.203 20 5 CBBDLO Cc1nn(C)cc1C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447613 816981440 /nfs/dbraw/zinc/98/14/40/816981440.db2.gz AIZHVMUTSMRYEV-VXGBXAGGSA-N 1 2 295.343 -0.058 20 5 CBBDLO Cc1nn(C)cc1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447613 816981445 /nfs/dbraw/zinc/98/14/45/816981445.db2.gz AIZHVMUTSMRYEV-VXGBXAGGSA-N 1 2 295.343 -0.058 20 5 CBBDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319613024 817225570 /nfs/dbraw/zinc/22/55/70/817225570.db2.gz ZYUJOXXMBDBSEQ-QMMMGPOBSA-N 1 2 282.304 -0.707 20 5 CBBDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001319613024 817225573 /nfs/dbraw/zinc/22/55/73/817225573.db2.gz 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/nfs/dbraw/zinc/19/06/81/824190681.db2.gz QVSQGNSDIGUMCX-UHFFFAOYSA-N 1 2 254.290 -0.020 20 5 CBBDLO NC(=O)Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001199583017 824275057 /nfs/dbraw/zinc/27/50/57/824275057.db2.gz SOFXNZPVXRKDEE-UHFFFAOYSA-N 1 2 290.283 -0.039 20 5 CBBDLO C[N@@H+]1CCO[C@@H](COc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451654 825333206 /nfs/dbraw/zinc/33/32/06/825333206.db2.gz IXZZLZNZNKPIHO-SECBINFHSA-N 1 2 269.257 -0.062 20 5 CBBDLO C[N@H+]1CCO[C@@H](COc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451654 825333210 /nfs/dbraw/zinc/33/32/10/825333210.db2.gz IXZZLZNZNKPIHO-SECBINFHSA-N 1 2 269.257 -0.062 20 5 CBBDLO Cn1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001274017481 827952347 /nfs/dbraw/zinc/95/23/47/827952347.db2.gz SQCFLWNYNDQQKP-JDEDCZITSA-N 1 2 293.327 -0.153 20 5 CBBDLO Cc1nonc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274014779 827953181 /nfs/dbraw/zinc/95/31/81/827953181.db2.gz CJXYTHRDZZQBAR-NWRGJWMSSA-N 1 2 295.299 -0.195 20 5 CBBDLO Cn1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001274017482 827953805 /nfs/dbraw/zinc/95/38/05/827953805.db2.gz SQCFLWNYNDQQKP-JGLYPNHGSA-N 1 2 293.327 -0.153 20 5 CBBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1C ZINC001338205033 889125353 /nfs/dbraw/zinc/12/53/53/889125353.db2.gz CRROUQDQNISBNO-UHFFFAOYSA-N 1 2 284.320 -0.640 20 5 CBBDLO CC[NH2+]Cc1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001326236146 884954004 /nfs/dbraw/zinc/95/40/04/884954004.db2.gz DINOZGAYBJDECG-UHFFFAOYSA-N 1 2 253.222 -0.273 20 5 CBBDLO Cn1c[nH+]cc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001330886082 886615695 /nfs/dbraw/zinc/61/56/95/886615695.db2.gz DCTPLHDVEKESHT-UHFFFAOYSA-N 1 2 264.245 -0.008 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001334858462 888346563 /nfs/dbraw/zinc/34/65/63/888346563.db2.gz MZZLQCAUXJJETK-SSDOTTSWSA-N 1 2 277.244 -0.876 20 5 CBBDLO CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001356698352 891790235 /nfs/dbraw/zinc/79/02/35/891790235.db2.gz PCPRDBZNXIEQQE-VXGBXAGGSA-N 1 2 298.343 -0.726 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC001454221943 914181828 /nfs/dbraw/zinc/18/18/28/914181828.db2.gz OAHOUCLUHHJRHT-MRVPVSSYSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC001454221943 914181837 /nfs/dbraw/zinc/18/18/37/914181837.db2.gz OAHOUCLUHHJRHT-MRVPVSSYSA-N 1 2 283.288 -0.923 20 5 CBBDLO Nc1ncc(C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC001441087498 911610235 /nfs/dbraw/zinc/61/02/35/911610235.db2.gz JBWNZRUFIHLRJB-UHFFFAOYSA-N 1 2 295.299 -0.678 20 5 CBBDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001470571501 915506307 /nfs/dbraw/zinc/50/63/07/915506307.db2.gz RFEKSKLAXPKGQD-SSDOTTSWSA-N 1 2 294.271 -0.475 20 5 CBBDLO Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001483007462 917373969 /nfs/dbraw/zinc/37/39/69/917373969.db2.gz LOHUFNFSOQJWIG-LVUHIJSRSA-N 1 2 294.315 -0.758 20 5 CBBDLO Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001483007463 917374771 /nfs/dbraw/zinc/37/47/71/917374771.db2.gz LOHUFNFSOQJWIG-WUNPDAOYSA-N 1 2 294.315 -0.758 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC001557910004 924139876 /nfs/dbraw/zinc/13/98/76/924139876.db2.gz IIHHJRWRMYQMQM-SECBINFHSA-N 1 2 295.299 -0.680 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC001557910004 924139888 /nfs/dbraw/zinc/13/98/88/924139888.db2.gz IIHHJRWRMYQMQM-SECBINFHSA-N 1 2 295.299 -0.680 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1CO ZINC001557910005 924140947 /nfs/dbraw/zinc/14/09/47/924140947.db2.gz IIHHJRWRMYQMQM-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1CO ZINC001557910005 924140956 /nfs/dbraw/zinc/14/09/56/924140956.db2.gz IIHHJRWRMYQMQM-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000337412278 214066392 /nfs/dbraw/zinc/06/63/92/214066392.db2.gz PJQDPDGIQPKSNG-SECBINFHSA-N 1 2 288.329 -0.090 20 5 CBBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000337412278 214066393 /nfs/dbraw/zinc/06/63/93/214066393.db2.gz PJQDPDGIQPKSNG-SECBINFHSA-N 1 2 288.329 -0.090 20 5 CBBDLO COC[C@H](C(N)=O)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000339356561 215116433 /nfs/dbraw/zinc/11/64/33/215116433.db2.gz IHBRYNAWQCSAJS-SNVBAGLBSA-N 1 2 298.299 -0.811 20 5 CBBDLO COC[C@H](C(N)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000339356561 215116436 /nfs/dbraw/zinc/11/64/36/215116436.db2.gz IHBRYNAWQCSAJS-SNVBAGLBSA-N 1 2 298.299 -0.811 20 5 CBBDLO COC[C@@H](C(N)=O)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339363805 215122737 /nfs/dbraw/zinc/12/27/37/215122737.db2.gz VKVMWASQACKEIV-VIFPVBQESA-N 1 2 271.277 -0.777 20 5 CBBDLO COC[C@@H](C(N)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339363805 215122740 /nfs/dbraw/zinc/12/27/40/215122740.db2.gz VKVMWASQACKEIV-VIFPVBQESA-N 1 2 271.277 -0.777 20 5 CBBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080943204 351701606 /nfs/dbraw/zinc/70/16/06/351701606.db2.gz DXWLFOXXAMDUBC-UTUOFQBUSA-N 1 2 283.328 -0.025 20 5 CBBDLO COC(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173500526 352038453 /nfs/dbraw/zinc/03/84/53/352038453.db2.gz PERDDESQEKOUHH-SECBINFHSA-N 1 2 272.261 -0.743 20 5 CBBDLO COC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173500526 352038454 /nfs/dbraw/zinc/03/84/54/352038454.db2.gz PERDDESQEKOUHH-SECBINFHSA-N 1 2 272.261 -0.743 20 5 CBBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187304010 352137107 /nfs/dbraw/zinc/13/71/07/352137107.db2.gz KYWXQOVXJKJHHP-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187304010 352137109 /nfs/dbraw/zinc/13/71/09/352137109.db2.gz KYWXQOVXJKJHHP-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000186534499 352127444 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O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(F)(F)CO)c1 ZINC000228745463 352265059 /nfs/dbraw/zinc/26/50/59/352265059.db2.gz HNTPTRRNGKOYBA-MRVPVSSYSA-N 1 2 280.231 -0.631 20 5 CBBDLO O=C(NCC[NH+]1CCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274903170 352548302 /nfs/dbraw/zinc/54/83/02/352548302.db2.gz QKWWPRUULAUWCT-UHFFFAOYSA-N 1 2 296.283 -0.243 20 5 CBBDLO CC1(C)CNC(=O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000282742921 352610472 /nfs/dbraw/zinc/61/04/72/352610472.db2.gz NHNVQTQRYYYZDX-UHFFFAOYSA-N 1 2 294.311 -0.033 20 5 CBBDLO CC1(C)CNC(=O)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000282742921 352610476 /nfs/dbraw/zinc/61/04/76/352610476.db2.gz NHNVQTQRYYYZDX-UHFFFAOYSA-N 1 2 294.311 -0.033 20 5 CBBDLO NC(=O)c1ccnc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000290511379 352677095 /nfs/dbraw/zinc/67/70/95/352677095.db2.gz LTXXXDRDKDHIPO-UHFFFAOYSA-N 1 2 295.299 -0.167 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000331150242 352884668 /nfs/dbraw/zinc/88/46/68/352884668.db2.gz AMIVRDJPELNMKW-VIFPVBQESA-N 1 2 297.315 -0.128 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000331150242 352884674 /nfs/dbraw/zinc/88/46/74/352884674.db2.gz AMIVRDJPELNMKW-VIFPVBQESA-N 1 2 297.315 -0.128 20 5 CBBDLO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCO ZINC000331151485 352884861 /nfs/dbraw/zinc/88/48/61/352884861.db2.gz JLLXBZAPRQAWEZ-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCO ZINC000331151485 352884863 /nfs/dbraw/zinc/88/48/63/352884863.db2.gz JLLXBZAPRQAWEZ-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000152194749 188001581 /nfs/dbraw/zinc/00/15/81/188001581.db2.gz JUBWXJJLLBWRPD-UWVGGRQHSA-N 1 2 295.299 -0.667 20 5 CBBDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000152194749 188001583 /nfs/dbraw/zinc/00/15/83/188001583.db2.gz JUBWXJJLLBWRPD-UWVGGRQHSA-N 1 2 295.299 -0.667 20 5 CBBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352584485 353493567 /nfs/dbraw/zinc/49/35/67/353493567.db2.gz UHOGFNIFMHZAJC-UHFFFAOYSA-N 1 2 250.218 -0.019 20 5 CBBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352794939 353505473 /nfs/dbraw/zinc/50/54/73/353505473.db2.gz BMXMJGBYFJMYQJ-NWDGAFQWSA-N 1 2 295.295 -0.115 20 5 CBBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352794939 353505475 /nfs/dbraw/zinc/50/54/75/353505475.db2.gz BMXMJGBYFJMYQJ-NWDGAFQWSA-N 1 2 295.295 -0.115 20 5 CBBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352794938 353505698 /nfs/dbraw/zinc/50/56/98/353505698.db2.gz BMXMJGBYFJMYQJ-NEPJUHHUSA-N 1 2 295.295 -0.115 20 5 CBBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352794938 353505699 /nfs/dbraw/zinc/50/56/99/353505699.db2.gz BMXMJGBYFJMYQJ-NEPJUHHUSA-N 1 2 295.295 -0.115 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357904351 353613491 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Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000090623726 180015140 /nfs/dbraw/zinc/01/51/40/180015140.db2.gz DKBOXFVPAOJJTJ-UHFFFAOYSA-N 1 2 282.300 -0.005 20 5 CBBDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026484527 351366570 /nfs/dbraw/zinc/36/65/70/351366570.db2.gz XKJRMSJSCNVTSV-VIFPVBQESA-N 1 2 279.300 -0.014 20 5 CBBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000027231217 351368134 /nfs/dbraw/zinc/36/81/34/351368134.db2.gz DLXOUXUBFLQNNF-UHFFFAOYSA-N 1 2 279.300 -0.142 20 5 CBBDLO O=[N+]([O-])c1nccn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000031417037 351377199 /nfs/dbraw/zinc/37/71/99/351377199.db2.gz ULIOGVTZPFEQDZ-VIFPVBQESA-N 1 2 256.262 -0.516 20 5 CBBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000076947892 351679101 /nfs/dbraw/zinc/67/91/01/351679101.db2.gz ADBGGZRJQWZJGT-MNOVXSKESA-N 1 2 298.343 -0.726 20 5 CBBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000076947892 351679106 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Cc1cc([N+](=O)[O-])nn1C[C@H](O)C[NH+]1CCOCC1 ZINC000184768034 352113397 /nfs/dbraw/zinc/11/33/97/352113397.db2.gz PJHQNKIVMVGFDG-SNVBAGLBSA-N 1 2 270.289 -0.207 20 5 CBBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000236538102 352290500 /nfs/dbraw/zinc/29/05/00/352290500.db2.gz PVAVVTBRCFRTKW-IONNQARKSA-N 1 2 267.241 -0.038 20 5 CBBDLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000236581685 352290849 /nfs/dbraw/zinc/29/08/49/352290849.db2.gz ZMDPBWIKYNVJNG-QWRGUYRKSA-N 1 2 281.268 -0.429 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330458336 352828211 /nfs/dbraw/zinc/82/82/11/352828211.db2.gz YXKHWBLIPDHOOI-SECBINFHSA-N 1 2 268.273 -0.017 20 5 CBBDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330458336 352828213 /nfs/dbraw/zinc/82/82/13/352828213.db2.gz YXKHWBLIPDHOOI-SECBINFHSA-N 1 2 268.273 -0.017 20 5 CBBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330568582 352850100 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CBBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357907855 353613792 /nfs/dbraw/zinc/61/37/92/353613792.db2.gz IMVCEGFANVYMBO-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000373028878 353725732 /nfs/dbraw/zinc/72/57/32/353725732.db2.gz LGVWYIZZIVTDJI-AXFHLTTASA-N 1 2 279.300 -0.442 20 5 CBBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000378053938 353780437 /nfs/dbraw/zinc/78/04/37/353780437.db2.gz NPPAJBKTIYCUKG-WRWGMCAJSA-N 1 2 283.328 -0.027 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408384826 353908891 /nfs/dbraw/zinc/90/88/91/353908891.db2.gz IMASQZGHHWAXJK-MWLCHTKSSA-N 1 2 281.316 -0.157 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408384826 353908893 /nfs/dbraw/zinc/90/88/93/353908893.db2.gz IMASQZGHHWAXJK-MWLCHTKSSA-N 1 2 281.316 -0.157 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]21 ZINC000377962113 283007656 /nfs/dbraw/zinc/00/76/56/283007656.db2.gz CNXOEUFAWXDNMJ-XFWSIPNHSA-N 1 2 255.274 -0.807 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]21 ZINC000377962113 283007657 /nfs/dbraw/zinc/00/76/57/283007657.db2.gz CNXOEUFAWXDNMJ-XFWSIPNHSA-N 1 2 255.274 -0.807 20 5 CBBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000444385612 354272072 /nfs/dbraw/zinc/27/20/72/354272072.db2.gz ZOAFKPVNKOWDGH-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO O=C(CN1CC[NH2+]CC1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000566251739 354760968 /nfs/dbraw/zinc/76/09/68/354760968.db2.gz WRZXNDHYANKXRG-UHFFFAOYSA-N 1 2 294.267 -0.329 20 5 CBBDLO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000590370333 355076476 /nfs/dbraw/zinc/07/64/76/355076476.db2.gz XPXNPWHOMVREGJ-QMMMGPOBSA-N 1 2 283.284 -0.047 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000590601341 355085428 /nfs/dbraw/zinc/08/54/28/355085428.db2.gz 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NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000596620347 355360660 /nfs/dbraw/zinc/36/06/60/355360660.db2.gz FJWCVSLMKCJKLI-PWSUYJOCSA-N 1 2 295.295 -0.106 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000596620347 355360662 /nfs/dbraw/zinc/36/06/62/355360662.db2.gz FJWCVSLMKCJKLI-PWSUYJOCSA-N 1 2 295.295 -0.106 20 5 CBBDLO C[NH+](C)C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597653572 355403435 /nfs/dbraw/zinc/40/34/35/355403435.db2.gz LWALPOMREKBALK-MRVPVSSYSA-N 1 2 283.284 -0.047 20 5 CBBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599532151 355496129 /nfs/dbraw/zinc/49/61/29/355496129.db2.gz BFKUKUQKNZCIGM-UWJYBYFXSA-N 1 2 295.295 -0.041 20 5 CBBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598947665 355456906 /nfs/dbraw/zinc/45/69/06/355456906.db2.gz OYMRSZGLMUIOIF-ZCFIWIBFSA-N 1 2 262.229 -0.131 20 5 CBBDLO Cn1c(C(=O)NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600423882 355544392 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000611008717 355792639 /nfs/dbraw/zinc/79/26/39/355792639.db2.gz HVDPGCFPDHQASA-LLVKDONJSA-N 1 2 292.299 -0.066 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000611008717 355792642 /nfs/dbraw/zinc/79/26/42/355792642.db2.gz HVDPGCFPDHQASA-LLVKDONJSA-N 1 2 292.299 -0.066 20 5 CBBDLO CCNC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185711 355796665 /nfs/dbraw/zinc/79/66/65/355796665.db2.gz QFBZDEUCDNJSCR-UHFFFAOYSA-N 1 2 282.300 -0.176 20 5 CBBDLO CCNC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185711 355796668 /nfs/dbraw/zinc/79/66/68/355796668.db2.gz QFBZDEUCDNJSCR-UHFFFAOYSA-N 1 2 282.300 -0.176 20 5 CBBDLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000619871075 356229024 /nfs/dbraw/zinc/22/90/24/356229024.db2.gz MZIJAUFHOIODRP-VIFPVBQESA-N 1 2 298.299 -0.654 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]21 ZINC000284789672 372940675 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C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000522268566 373866266 /nfs/dbraw/zinc/86/62/66/373866266.db2.gz HIAWLJZBPZIDSK-SNVBAGLBSA-N 1 2 297.315 -0.372 20 5 CBBDLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364351631 248704547 /nfs/dbraw/zinc/70/45/47/248704547.db2.gz BCWKRMMTAYMWMN-VGMNWLOBSA-N 1 2 250.258 -0.021 20 5 CBBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278664965 194092223 /nfs/dbraw/zinc/09/22/23/194092223.db2.gz HXIGQKHKHUHNFQ-VXGBXAGGSA-N 1 2 295.295 -0.121 20 5 CBBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000444384248 208417823 /nfs/dbraw/zinc/41/78/23/208417823.db2.gz QJKRGZFZAOHIBG-SECBINFHSA-N 1 2 297.315 -0.533 20 5 CBBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000230753584 544502106 /nfs/dbraw/zinc/50/21/06/544502106.db2.gz XMNBTMDSRAPIHL-UHFFFAOYSA-N 1 2 265.273 -0.040 20 5 CBBDLO O=C(CN1CC[NH2+]CC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000238116232 419585887 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C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)CCO1 ZINC000522275009 420394588 /nfs/dbraw/zinc/39/45/88/420394588.db2.gz RRWMILNEOUXTOS-MRVPVSSYSA-N 1 2 282.304 -0.479 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)CCO1 ZINC000522275009 420394591 /nfs/dbraw/zinc/39/45/91/420394591.db2.gz RRWMILNEOUXTOS-MRVPVSSYSA-N 1 2 282.304 -0.479 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000356733844 230238600 /nfs/dbraw/zinc/23/86/00/230238600.db2.gz ULNPEZUEAFZXLZ-SECBINFHSA-N 1 2 294.315 -0.942 20 5 CBBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599160915 420491582 /nfs/dbraw/zinc/49/15/82/420491582.db2.gz LPHXLYVFSPTMAX-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CBBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599160915 420491584 /nfs/dbraw/zinc/49/15/84/420491584.db2.gz LPHXLYVFSPTMAX-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CBBDLO NC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776579085 582355353 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20 5 CBBDLO O=C([C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-])N1CCOCC1 ZINC000791054164 582392401 /nfs/dbraw/zinc/39/24/01/582392401.db2.gz YDNSATLMHKKIQH-NSHDSACASA-N 1 2 271.317 -0.024 20 5 CBBDLO Cn1ncc2c1ncnc2N1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054357 582392427 /nfs/dbraw/zinc/39/24/27/582392427.db2.gz UDVUPSPGTDBXMT-UHFFFAOYSA-N 1 2 291.315 -0.238 20 5 CBBDLO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839684947 583157693 /nfs/dbraw/zinc/15/76/93/583157693.db2.gz CZTRYJAQSSMZCB-NXEZZACHSA-N 1 2 279.300 -0.266 20 5 CBBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839695646 583158101 /nfs/dbraw/zinc/15/81/01/583158101.db2.gz JRIXRTACSSZLDT-HBNTYKKESA-N 1 2 299.327 -0.253 20 5 CBBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839697074 583158166 /nfs/dbraw/zinc/15/81/66/583158166.db2.gz PLRAAJWPZOJNEW-RKDXNWHRSA-N 1 2 284.316 -0.940 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000839710095 583158546 /nfs/dbraw/zinc/15/85/46/583158546.db2.gz VDHAICXCPLOMBS-KYXWUPHJSA-N 1 2 257.290 -0.513 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000839710095 583158548 /nfs/dbraw/zinc/15/85/48/583158548.db2.gz VDHAICXCPLOMBS-KYXWUPHJSA-N 1 2 257.290 -0.513 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673635 583166708 /nfs/dbraw/zinc/16/67/08/583166708.db2.gz WMDYBGVTMYQINJ-OPRDCNLKSA-N 1 2 258.274 -0.085 20 5 CBBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841457616 583170932 /nfs/dbraw/zinc/17/09/32/583170932.db2.gz UFFNAGLMYKGPMI-LNFKQOIKSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841457616 583170933 /nfs/dbraw/zinc/17/09/33/583170933.db2.gz UFFNAGLMYKGPMI-LNFKQOIKSA-N 1 2 271.317 -0.435 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000854113995 583595656 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270.333 -0.598 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC000912742670 657335474 /nfs/dbraw/zinc/33/54/74/657335474.db2.gz FWPLCLQJIBJNRP-SNVBAGLBSA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC000912742670 657335477 /nfs/dbraw/zinc/33/54/77/657335477.db2.gz FWPLCLQJIBJNRP-SNVBAGLBSA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000913547339 657528883 /nfs/dbraw/zinc/52/88/83/657528883.db2.gz MFIHDMADRFCFPT-SNVBAGLBSA-N 1 2 280.284 -0.262 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000913547339 657528891 /nfs/dbraw/zinc/52/88/91/657528891.db2.gz MFIHDMADRFCFPT-SNVBAGLBSA-N 1 2 280.284 -0.262 20 5 CBBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928646337 659058076 /nfs/dbraw/zinc/05/80/76/659058076.db2.gz JWOQEGDVBGHJIE-GMTAPVOTSA-N 1 2 271.317 -0.121 20 5 CBBDLO Cc1nn(C)c(N2CC[N@H+](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000687588515 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260.290 -0.056 20 5 CBBDLO Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)ncc1[N+](=O)[O-] ZINC001187198390 821219067 /nfs/dbraw/zinc/21/90/67/821219067.db2.gz FBIURHYCUCGZTE-UHFFFAOYSA-N 1 2 291.311 -0.033 20 5 CBBDLO C[N@@H+]1CCO[C@H](COc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228142163 825313853 /nfs/dbraw/zinc/31/38/53/825313853.db2.gz ZNMQXKVRRFRVBK-ZETCQYMHSA-N 1 2 270.245 -0.200 20 5 CBBDLO C[N@H+]1CCO[C@H](COc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228142163 825313858 /nfs/dbraw/zinc/31/38/58/825313858.db2.gz ZNMQXKVRRFRVBK-ZETCQYMHSA-N 1 2 270.245 -0.200 20 5 CBBDLO COCC(=O)NCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001230939979 825381884 /nfs/dbraw/zinc/38/18/84/825381884.db2.gz LHWARNODZURTTM-UHFFFAOYSA-N 1 2 299.331 -0.087 20 5 CBBDLO COCC(=O)NCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001230939979 825381886 /nfs/dbraw/zinc/38/18/86/825381886.db2.gz LHWARNODZURTTM-UHFFFAOYSA-N 1 2 299.331 -0.087 20 5 CBBDLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001446598426 912912966 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C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](CO)C1 ZINC001557712387 924132118 /nfs/dbraw/zinc/13/21/18/924132118.db2.gz XXZQTBRLAMABLF-VIFPVBQESA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](CO)C1 ZINC001557712387 924132130 /nfs/dbraw/zinc/13/21/30/924132130.db2.gz XXZQTBRLAMABLF-VIFPVBQESA-N 1 2 294.311 -0.075 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)n1 ZINC001557910166 924139312 /nfs/dbraw/zinc/13/93/12/924139312.db2.gz NCJGXQJMBUJTPZ-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n1 ZINC001557910166 924139320 /nfs/dbraw/zinc/13/93/20/924139320.db2.gz NCJGXQJMBUJTPZ-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cc1cnc(N2CC3(C2)CC(=O)NCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001559250226 924216808 /nfs/dbraw/zinc/21/68/08/924216808.db2.gz UUTYAMXDZLQMRC-UHFFFAOYSA-N 1 2 291.311 -0.033 20 5 CBBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000050693227 351501639 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CBBDLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000093092101 351756425 /nfs/dbraw/zinc/75/64/25/351756425.db2.gz ZMDPBWIKYNVJNG-PHIMTYICSA-N 1 2 281.268 -0.429 20 5 CBBDLO NC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093092359 351757035 /nfs/dbraw/zinc/75/70/35/351757035.db2.gz KEEWOZSFFLVXNR-PHIMTYICSA-N 1 2 281.268 -0.769 20 5 CBBDLO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093092359 351757036 /nfs/dbraw/zinc/75/70/36/351757036.db2.gz KEEWOZSFFLVXNR-PHIMTYICSA-N 1 2 281.268 -0.769 20 5 CBBDLO CN(CC[NH+]1CCOCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131234541 351884941 /nfs/dbraw/zinc/88/49/41/351884941.db2.gz HFSPGUPYLSSOLM-UHFFFAOYSA-N 1 2 283.288 -0.278 20 5 CBBDLO CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159726338 351965569 /nfs/dbraw/zinc/96/55/69/351965569.db2.gz DVVWQGXDNGRTHX-UHFFFAOYSA-N 1 2 294.311 -0.079 20 5 CBBDLO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000160622244 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CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364486696 420039727 /nfs/dbraw/zinc/03/97/27/420039727.db2.gz VGVMQGWDQPGXTE-WDEREUQCSA-N 1 2 298.343 -0.678 20 5 CBBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000364512467 420041865 /nfs/dbraw/zinc/04/18/65/420041865.db2.gz XLFYTUVQUGYDSZ-AXFHLTTASA-N 1 2 296.327 -0.926 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366052573 420075778 /nfs/dbraw/zinc/07/57/78/420075778.db2.gz LSOIRLLVSICKNZ-HBNTYKKESA-N 1 2 269.301 -0.415 20 5 CBBDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576270973 335180105 /nfs/dbraw/zinc/18/01/05/335180105.db2.gz OBBQSRNQUVDIOO-LLVKDONJSA-N 1 2 280.288 -0.026 20 5 CBBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278863998 534298382 /nfs/dbraw/zinc/29/83/82/534298382.db2.gz SEVOKZFEEVOTGL-FXAINCCUSA-N 1 2 295.295 -0.041 20 5 CBBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278863998 534298385 /nfs/dbraw/zinc/29/83/85/534298385.db2.gz SEVOKZFEEVOTGL-FXAINCCUSA-N 1 2 295.295 -0.041 20 5 CBBDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000378445941 527722495 /nfs/dbraw/zinc/72/24/95/527722495.db2.gz WXZSFMQEBJDOIU-NSHDSACASA-N 1 2 297.315 -0.372 20 5 CBBDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000378445941 527722497 /nfs/dbraw/zinc/72/24/97/527722497.db2.gz WXZSFMQEBJDOIU-NSHDSACASA-N 1 2 297.315 -0.372 20 5 CBBDLO O=C1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCN1 ZINC000746665763 582285107 /nfs/dbraw/zinc/28/51/07/582285107.db2.gz FSHZJMUKLHYJHD-UHFFFAOYSA-N 1 2 253.262 -0.387 20 5 CBBDLO O=C1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCN1 ZINC000746665763 582285108 /nfs/dbraw/zinc/28/51/08/582285108.db2.gz FSHZJMUKLHYJHD-UHFFFAOYSA-N 1 2 253.262 -0.387 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2CCO)c1 ZINC000767589170 582332761 /nfs/dbraw/zinc/33/27/61/582332761.db2.gz PAPSIFGFWVJPGT-SNVBAGLBSA-N 1 2 270.289 -0.126 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2CCO)c1 ZINC000767589170 582332762 /nfs/dbraw/zinc/33/27/62/582332762.db2.gz PAPSIFGFWVJPGT-SNVBAGLBSA-N 1 2 270.289 -0.126 20 5 CBBDLO NC(=O)[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776579082 582355315 /nfs/dbraw/zinc/35/53/15/582355315.db2.gz IWFNZWUDHNKDEC-NWDGAFQWSA-N 1 2 295.295 -0.186 20 5 CBBDLO NC(=O)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776579082 582355316 /nfs/dbraw/zinc/35/53/16/582355316.db2.gz IWFNZWUDHNKDEC-NWDGAFQWSA-N 1 2 295.295 -0.186 20 5 CBBDLO CS(=O)(=O)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791054302 582392423 /nfs/dbraw/zinc/39/24/23/582392423.db2.gz SYNYHOFUUMQZIC-UHFFFAOYSA-N 1 2 251.308 -0.770 20 5 CBBDLO CS(=O)(=O)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791054302 582392424 /nfs/dbraw/zinc/39/24/24/582392424.db2.gz SYNYHOFUUMQZIC-UHFFFAOYSA-N 1 2 251.308 -0.770 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823012852 582655501 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-0.253 20 5 CBBDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000840411081 583164916 /nfs/dbraw/zinc/16/49/16/583164916.db2.gz SZMLJIMGAPQICC-GMTAPVOTSA-N 1 2 299.327 -0.253 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847946183 583419208 /nfs/dbraw/zinc/41/92/08/583419208.db2.gz CYNONCQDBWTVRM-RKDXNWHRSA-N 1 2 265.273 -0.277 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855405960 583637374 /nfs/dbraw/zinc/63/73/74/583637374.db2.gz BFKGWKHOGUUEHD-LNFKQOIKSA-N 1 2 271.317 -0.123 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855405960 583637375 /nfs/dbraw/zinc/63/73/75/583637375.db2.gz BFKGWKHOGUUEHD-LNFKQOIKSA-N 1 2 271.317 -0.123 20 5 CBBDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1C ZINC000893574571 584642676 /nfs/dbraw/zinc/64/26/76/584642676.db2.gz KZVUVLDPFXIIEB-MFYTUXHUSA-N 1 2 286.284 -0.169 20 5 CBBDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1C ZINC000893574571 584642677 /nfs/dbraw/zinc/64/26/77/584642677.db2.gz KZVUVLDPFXIIEB-MFYTUXHUSA-N 1 2 286.284 -0.169 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](CO)C1 ZINC000894880492 584666579 /nfs/dbraw/zinc/66/65/79/584666579.db2.gz CQNCOLMIDFVGFG-MRVPVSSYSA-N 1 2 255.278 -0.559 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000894880492 584666580 /nfs/dbraw/zinc/66/65/80/584666580.db2.gz CQNCOLMIDFVGFG-MRVPVSSYSA-N 1 2 255.278 -0.559 20 5 CBBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140087 658017440 /nfs/dbraw/zinc/01/74/40/658017440.db2.gz XQENZXDMOZAJEC-KHUVANEUSA-N 1 2 281.272 -0.528 20 5 CBBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929111658 659091858 /nfs/dbraw/zinc/09/18/58/659091858.db2.gz MDPZPXQUWUVINF-JTQLQIEISA-N 1 2 270.333 -0.452 20 5 CBBDLO Cn1cc(C[NH+]2CCN(CC[N+](=O)[O-])CC2)cn1 ZINC000929584160 659146803 /nfs/dbraw/zinc/14/68/03/659146803.db2.gz ZQQBEWKSSBYOCV-UHFFFAOYSA-N 1 2 253.306 -0.186 20 5 CBBDLO Cn1c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687593478 790655075 /nfs/dbraw/zinc/65/50/75/790655075.db2.gz RLLGUTLYWBPANO-VIFPVBQESA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687593478 790655078 /nfs/dbraw/zinc/65/50/78/790655078.db2.gz RLLGUTLYWBPANO-VIFPVBQESA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000699458822 790702465 /nfs/dbraw/zinc/70/24/65/790702465.db2.gz SWWKBEMOLAULKO-SNVBAGLBSA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000699458822 790702470 /nfs/dbraw/zinc/70/24/70/790702470.db2.gz SWWKBEMOLAULKO-SNVBAGLBSA-N 1 2 282.300 -0.318 20 5 CBBDLO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063700 790985750 /nfs/dbraw/zinc/98/57/50/790985750.db2.gz IAVLKOIYBNTMGM-PKIKSRDPSA-N 1 2 295.299 -0.220 20 5 CBBDLO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001022064144 790987569 /nfs/dbraw/zinc/98/75/69/790987569.db2.gz YGYANWGICFLMTD-UTINFBMNSA-N 1 2 294.315 -0.485 20 5 CBBDLO NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035704771 799960578 /nfs/dbraw/zinc/96/05/78/799960578.db2.gz XOLOEAIZUPRALK-NXEZZACHSA-N 1 2 296.327 -0.939 20 5 CBBDLO CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001053253468 802244440 /nfs/dbraw/zinc/24/44/40/802244440.db2.gz KXMFQTGDRIUUMA-GHMZBOCLSA-N 1 2 283.328 -0.025 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCO)CC1 ZINC001323226373 803992915 /nfs/dbraw/zinc/99/29/15/803992915.db2.gz RVRSICNWBOYEKZ-UHFFFAOYSA-N 1 2 283.288 -0.922 20 5 CBBDLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042674 815258497 /nfs/dbraw/zinc/25/84/97/815258497.db2.gz DTHOUMCTKOMRHT-LDWIPMOCSA-N 1 2 269.261 -0.289 20 5 CBBDLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042674 815258501 /nfs/dbraw/zinc/25/85/01/815258501.db2.gz DTHOUMCTKOMRHT-LDWIPMOCSA-N 1 2 269.261 -0.289 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])C[NH2+]1 ZINC001156248725 815351423 /nfs/dbraw/zinc/35/14/23/815351423.db2.gz GYIQCJKBLVACNK-IUCAKERBSA-N 1 2 296.283 -0.148 20 5 CBBDLO COCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835787 811604745 /nfs/dbraw/zinc/60/47/45/811604745.db2.gz PDYYQFOAXLPEDB-GHMZBOCLSA-N 1 2 271.317 -0.168 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)OCCn1cc[nH+]c1 ZINC001116460661 812264153 /nfs/dbraw/zinc/26/41/53/812264153.db2.gz ZXYHXSDEUXGXKC-UHFFFAOYSA-N 1 2 266.217 -0.374 20 5 CBBDLO Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931841 813694499 /nfs/dbraw/zinc/69/44/99/813694499.db2.gz BKTVTXMGNQEJLR-VXNVDRBHSA-N 1 2 269.261 -0.751 20 5 CBBDLO CCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126938913 813696913 /nfs/dbraw/zinc/69/69/13/813696913.db2.gz MUTXDWUORQUXSL-HTQZYQBOSA-N 1 2 283.288 -0.497 20 5 CBBDLO O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936273 813698070 /nfs/dbraw/zinc/69/80/70/813698070.db2.gz DQDJFSMBOLYSKD-HTQZYQBOSA-N 1 2 271.302 -0.591 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001161946261 815795617 /nfs/dbraw/zinc/79/56/17/815795617.db2.gz VCOUBZBGGHQIDD-MRVPVSSYSA-N 1 2 270.245 -0.470 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1ncnc(OC)c1[N+](=O)[O-] ZINC001161950917 815797023 /nfs/dbraw/zinc/79/70/23/815797023.db2.gz WVEPNYSRDQLGME-ZCFIWIBFSA-N 1 2 285.260 -0.304 20 5 CBBDLO COC[C@@H](C(N)=O)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307799550 816809838 /nfs/dbraw/zinc/80/98/38/816809838.db2.gz LVCWFPKWWKHCOC-VIFPVBQESA-N 1 2 285.304 -0.468 20 5 CBBDLO COC[C@@H](C(N)=O)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307799550 816809843 /nfs/dbraw/zinc/80/98/43/816809843.db2.gz LVCWFPKWWKHCOC-VIFPVBQESA-N 1 2 285.304 -0.468 20 5 CBBDLO CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320000241 817265982 /nfs/dbraw/zinc/26/59/82/817265982.db2.gz PBJKMZWHWDHBEV-VXGBXAGGSA-N 1 2 295.343 -0.025 20 5 CBBDLO CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320000241 817265986 /nfs/dbraw/zinc/26/59/86/817265986.db2.gz PBJKMZWHWDHBEV-VXGBXAGGSA-N 1 2 295.343 -0.025 20 5 CBBDLO COC(=O)NC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001321238926 817466692 /nfs/dbraw/zinc/46/66/92/817466692.db2.gz DSLNYEYFFPSOKQ-SNVBAGLBSA-N 1 2 299.287 -0.808 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(C)c[n+]2[O-])C[NH2+]1 ZINC001164302098 819905798 /nfs/dbraw/zinc/90/57/98/819905798.db2.gz NABNLNKJRMKKMP-IUCAKERBSA-N 1 2 296.283 -0.148 20 5 CBBDLO COC(=O)[C@@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996563 820199854 /nfs/dbraw/zinc/19/98/54/820199854.db2.gz WDNNRUDVLKHJKP-IWSPIJDZSA-N 1 2 273.289 -0.562 20 5 CBBDLO Cn1cc([C@@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC001169044305 820202289 /nfs/dbraw/zinc/20/22/89/820202289.db2.gz LFDALUAVQNONCK-SNVBAGLBSA-N 1 2 280.288 -0.115 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC001184957068 821093645 /nfs/dbraw/zinc/09/36/45/821093645.db2.gz ACUIJUROHSEVAJ-UHFFFAOYSA-N 1 2 282.304 -0.674 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC001184957068 821093654 /nfs/dbraw/zinc/09/36/54/821093654.db2.gz ACUIJUROHSEVAJ-UHFFFAOYSA-N 1 2 282.304 -0.674 20 5 CBBDLO O=C1CC2(CN(c3cccnc3[N+](=O)[O-])C2)[NH2+]CCN1 ZINC001187199906 821219275 /nfs/dbraw/zinc/21/92/75/821219275.db2.gz WSCOKPXINGWCJX-UHFFFAOYSA-N 1 2 277.284 -0.342 20 5 CBBDLO CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001282510747 828451235 /nfs/dbraw/zinc/45/12/35/828451235.db2.gz FHCWAEKSBYBSLD-GHMZBOCLSA-N 1 2 285.344 -0.139 20 5 CBBDLO NC(=O)c1ccnc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC001261208195 826493918 /nfs/dbraw/zinc/49/39/18/826493918.db2.gz KAQUIOJRRXRREE-UHFFFAOYSA-N 1 2 295.299 -0.797 20 5 CBBDLO CCN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265243437 826861095 /nfs/dbraw/zinc/86/10/95/826861095.db2.gz RVJMMWZXXSGFGP-VXGBXAGGSA-N 1 2 284.360 -0.205 20 5 CBBDLO Cc1[nH+]c[nH]c1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001331724168 886935297 /nfs/dbraw/zinc/93/52/97/886935297.db2.gz ZTOWHAZWUMQLAR-UHFFFAOYSA-N 1 2 265.233 -0.466 20 5 CBBDLO Cn1cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC001333616576 887718680 /nfs/dbraw/zinc/71/86/80/887718680.db2.gz PVMKFUDTOQWBNX-LLVKDONJSA-N 1 2 295.303 -0.587 20 5 CBBDLO Cn1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC001333616576 887718690 /nfs/dbraw/zinc/71/86/90/887718690.db2.gz PVMKFUDTOQWBNX-LLVKDONJSA-N 1 2 295.303 -0.587 20 5 CBBDLO Cn1cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC001333616577 887719672 /nfs/dbraw/zinc/71/96/72/887719672.db2.gz PVMKFUDTOQWBNX-NSHDSACASA-N 1 2 295.303 -0.587 20 5 CBBDLO Cn1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC001333616577 887719681 /nfs/dbraw/zinc/71/96/81/887719681.db2.gz PVMKFUDTOQWBNX-NSHDSACASA-N 1 2 295.303 -0.587 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001334859223 888344646 /nfs/dbraw/zinc/34/46/46/888344646.db2.gz USQOMHUCCXXLQY-SSDOTTSWSA-N 1 2 276.256 -0.121 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2CO)n1 ZINC001454221947 914181719 /nfs/dbraw/zinc/18/17/19/914181719.db2.gz OAHOUCLUHHJRHT-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC001454221947 914181726 /nfs/dbraw/zinc/18/17/26/914181726.db2.gz OAHOUCLUHHJRHT-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001459891487 914748158 /nfs/dbraw/zinc/74/81/58/914748158.db2.gz NRTCUGOOIASMKP-MRVPVSSYSA-N 1 2 268.277 -0.429 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001459891487 914748173 /nfs/dbraw/zinc/74/81/73/914748173.db2.gz NRTCUGOOIASMKP-MRVPVSSYSA-N 1 2 268.277 -0.429 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)n1 ZINC001471064259 915547958 /nfs/dbraw/zinc/54/79/58/915547958.db2.gz ITKFYXXTHDEWIF-VIFPVBQESA-N 1 2 297.315 -0.440 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n1 ZINC001471064259 915547968 /nfs/dbraw/zinc/54/79/68/915547968.db2.gz ITKFYXXTHDEWIF-VIFPVBQESA-N 1 2 297.315 -0.440 20 5 CBBDLO NC(=O)C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473558301 915836489 /nfs/dbraw/zinc/83/64/89/915836489.db2.gz QKGFSIHJOFAILS-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO NC(=O)C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473558301 915836498 /nfs/dbraw/zinc/83/64/98/915836498.db2.gz QKGFSIHJOFAILS-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001483007027 917375105 /nfs/dbraw/zinc/37/51/05/917375105.db2.gz DCKFQLYOMUAXBE-LVUHIJSRSA-N 1 2 294.315 -0.758 20 5 CBBDLO O=C(NCC1([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483733359 917664296 /nfs/dbraw/zinc/66/42/96/917664296.db2.gz ZIOOYVTYHPOIGV-RKDXNWHRSA-N 1 2 281.272 -0.527 20 5 CBBDLO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC001492249406 919379510 /nfs/dbraw/zinc/37/95/10/919379510.db2.gz DQYOYKCITFDDBZ-GHMZBOCLSA-N 1 2 298.343 -0.678 20 5 CBBDLO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC001492249406 919379530 /nfs/dbraw/zinc/37/95/30/919379530.db2.gz DQYOYKCITFDDBZ-GHMZBOCLSA-N 1 2 298.343 -0.678 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](CO)C1 ZINC001557712386 924133946 /nfs/dbraw/zinc/13/39/46/924133946.db2.gz XXZQTBRLAMABLF-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](CO)C1 ZINC001557712386 924133960 /nfs/dbraw/zinc/13/39/60/924133960.db2.gz XXZQTBRLAMABLF-SECBINFHSA-N 1 2 294.311 -0.075 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n1 ZINC001557910165 924140893 /nfs/dbraw/zinc/14/08/93/924140893.db2.gz NCJGXQJMBUJTPZ-MRVPVSSYSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n1 ZINC001557910165 924140897 /nfs/dbraw/zinc/14/08/97/924140897.db2.gz NCJGXQJMBUJTPZ-MRVPVSSYSA-N 1 2 283.288 -0.923 20 5 CBBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550027 180002657 /nfs/dbraw/zinc/00/26/57/180002657.db2.gz VHBHBSYGAHKPCG-LLVKDONJSA-N 1 2 294.311 -0.033 20 5 CBBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550027 180002660 /nfs/dbraw/zinc/00/26/60/180002660.db2.gz VHBHBSYGAHKPCG-LLVKDONJSA-N 1 2 294.311 -0.033 20 5 CBBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CCO)CC1 ZINC000035118743 351388133 /nfs/dbraw/zinc/38/81/33/351388133.db2.gz HWBSXPSIQKRVDN-UHFFFAOYSA-N 1 2 268.273 -0.327 20 5 CBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])ncn1C ZINC000081015849 351701692 /nfs/dbraw/zinc/70/16/92/351701692.db2.gz YUGTWXDJGVSVIE-SNVBAGLBSA-N 1 2 299.331 -0.542 20 5 CBBDLO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000160621976 351971631 /nfs/dbraw/zinc/97/16/31/351971631.db2.gz ZLZBDONREFTLQX-APPZFPTMSA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000160621976 351971635 /nfs/dbraw/zinc/97/16/35/351971635.db2.gz ZLZBDONREFTLQX-APPZFPTMSA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000160621976 351971640 /nfs/dbraw/zinc/97/16/40/351971640.db2.gz ZLZBDONREFTLQX-APPZFPTMSA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000160621976 351971642 /nfs/dbraw/zinc/97/16/42/351971642.db2.gz ZLZBDONREFTLQX-APPZFPTMSA-N 1 2 283.288 -0.233 20 5 CBBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCS(C)(=O)=O ZINC000176228332 352063254 /nfs/dbraw/zinc/06/32/54/352063254.db2.gz CIHDXLRXSHZJHO-UHFFFAOYSA-N 1 2 276.318 -0.232 20 5 CBBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCS(C)(=O)=O ZINC000176228332 352063256 /nfs/dbraw/zinc/06/32/56/352063256.db2.gz CIHDXLRXSHZJHO-UHFFFAOYSA-N 1 2 276.318 -0.232 20 5 CBBDLO C[C@H]1C(=O)NCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176226900 352063597 /nfs/dbraw/zinc/06/35/97/352063597.db2.gz OTACUKUIZGMBNV-QMMMGPOBSA-N 1 2 253.262 -0.388 20 5 CBBDLO C[C@H]1C(=O)NCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176226900 352063600 /nfs/dbraw/zinc/06/36/00/352063600.db2.gz OTACUKUIZGMBNV-QMMMGPOBSA-N 1 2 253.262 -0.388 20 5 CBBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000188610525 352154854 /nfs/dbraw/zinc/15/48/54/352154854.db2.gz QLKIDKLCHYQBHB-DTWKUNHWSA-N 1 2 284.272 -0.601 20 5 CBBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000188610525 352154855 /nfs/dbraw/zinc/15/48/55/352154855.db2.gz QLKIDKLCHYQBHB-DTWKUNHWSA-N 1 2 284.272 -0.601 20 5 CBBDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000245687678 352323451 /nfs/dbraw/zinc/32/34/51/352323451.db2.gz LAXFLQPKVOEJIT-VHSXEESVSA-N 1 2 295.295 -0.039 20 5 CBBDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000245687678 352323453 /nfs/dbraw/zinc/32/34/53/352323453.db2.gz LAXFLQPKVOEJIT-VHSXEESVSA-N 1 2 295.295 -0.039 20 5 CBBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262918582 352436608 /nfs/dbraw/zinc/43/66/08/352436608.db2.gz GPGZHTHMQLSRPU-QMMMGPOBSA-N 1 2 289.242 -0.095 20 5 CBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273965815 352529776 /nfs/dbraw/zinc/52/97/76/352529776.db2.gz OLRUQOLXFJGQSD-NSHDSACASA-N 1 2 297.315 -0.486 20 5 CBBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286664555 352647573 /nfs/dbraw/zinc/64/75/73/352647573.db2.gz CUSDHLHKSHRLLF-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000330556068 352847745 /nfs/dbraw/zinc/84/77/45/352847745.db2.gz FOTHXQLTKMKCQD-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO COCC[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330557571 352847944 /nfs/dbraw/zinc/84/79/44/352847944.db2.gz GBVADECWHVPGLH-UHFFFAOYSA-N 1 2 297.315 -0.268 20 5 CBBDLO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCOCC1 ZINC000330560712 352848511 /nfs/dbraw/zinc/84/85/11/352848511.db2.gz JNMWSORDYAOPQR-VIFPVBQESA-N 1 2 297.315 -0.221 20 5 CBBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000331167149 352887393 /nfs/dbraw/zinc/88/73/93/352887393.db2.gz DYOVFKKDVVYRAY-UHFFFAOYSA-N 1 2 297.315 -0.439 20 5 CBBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000375065897 353752628 /nfs/dbraw/zinc/75/26/28/353752628.db2.gz QQFDMLLNKLJNLH-AEJSXWLSSA-N 1 2 279.300 -0.442 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000408289151 353887729 /nfs/dbraw/zinc/88/77/29/353887729.db2.gz DDUKYGFRWKRGEL-GHMZBOCLSA-N 1 2 295.299 -0.667 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000408289151 353887731 /nfs/dbraw/zinc/88/77/31/353887731.db2.gz DDUKYGFRWKRGEL-GHMZBOCLSA-N 1 2 295.299 -0.667 20 5 CBBDLO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449693191 354320637 /nfs/dbraw/zinc/32/06/37/354320637.db2.gz CRIIAITXKIFTBV-JTQLQIEISA-N 1 2 294.311 -0.066 20 5 CBBDLO NC(=O)C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590587196 355084931 /nfs/dbraw/zinc/08/49/31/355084931.db2.gz XHVKYTJSLBMMDR-UHFFFAOYSA-N 1 2 280.288 -0.821 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000596620949 355360604 /nfs/dbraw/zinc/36/06/04/355360604.db2.gz JIWQQFYXLHLLKY-PWSUYJOCSA-N 1 2 295.295 -0.106 20 5 CBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000596620949 355360606 /nfs/dbraw/zinc/36/06/06/355360606.db2.gz JIWQQFYXLHLLKY-PWSUYJOCSA-N 1 2 295.295 -0.106 20 5 CBBDLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597615550 355401207 /nfs/dbraw/zinc/40/12/07/355401207.db2.gz FTOPRAJZDCHVNS-VIFPVBQESA-N 1 2 298.299 -0.654 20 5 CBBDLO NC(=O)C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000599666005 355507815 /nfs/dbraw/zinc/50/78/15/355507815.db2.gz VGZDDXIQYVFFMU-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO NC(=O)C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000599666005 355507819 /nfs/dbraw/zinc/50/78/19/355507819.db2.gz VGZDDXIQYVFFMU-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600839336 355568999 /nfs/dbraw/zinc/56/89/99/355568999.db2.gz SNRDTKIWKMXHRO-VIFPVBQESA-N 1 2 296.283 -0.244 20 5 CBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600839336 355569001 /nfs/dbraw/zinc/56/90/01/355569001.db2.gz SNRDTKIWKMXHRO-VIFPVBQESA-N 1 2 296.283 -0.244 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008718 355792866 /nfs/dbraw/zinc/79/28/66/355792866.db2.gz HVDPGCFPDHQASA-NSHDSACASA-N 1 2 292.299 -0.066 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611008718 355792867 /nfs/dbraw/zinc/79/28/67/355792867.db2.gz HVDPGCFPDHQASA-NSHDSACASA-N 1 2 292.299 -0.066 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000611008718 355792869 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C[C@H]1COCC[N@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330621573 203048835 /nfs/dbraw/zinc/04/88/35/203048835.db2.gz MLKGEUVQSRYQGK-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO COC(=O)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276506464 193360695 /nfs/dbraw/zinc/36/06/95/193360695.db2.gz YVEGYALLLOLGFO-QWRGUYRKSA-N 1 2 298.299 -0.307 20 5 CBBDLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[NH2+]1 ZINC000365756531 373525623 /nfs/dbraw/zinc/52/56/23/373525623.db2.gz FIPVNASIJUUITB-NKWVEPMBSA-N 1 2 283.240 -0.179 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000408384825 373615661 /nfs/dbraw/zinc/61/56/61/373615661.db2.gz IMASQZGHHWAXJK-KOLCDFICSA-N 1 2 281.316 -0.157 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000408384825 373615670 /nfs/dbraw/zinc/61/56/70/373615670.db2.gz IMASQZGHHWAXJK-KOLCDFICSA-N 1 2 281.316 -0.157 20 5 CBBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000552066168 374259750 /nfs/dbraw/zinc/25/97/50/374259750.db2.gz LVPPNXJMRYZAAS-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000552066168 374259758 /nfs/dbraw/zinc/25/97/58/374259758.db2.gz LVPPNXJMRYZAAS-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278556870 194043411 /nfs/dbraw/zinc/04/34/11/194043411.db2.gz BFKUKUQKNZCIGM-FXAINCCUSA-N 1 2 295.295 -0.041 20 5 CBBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278556870 194043412 /nfs/dbraw/zinc/04/34/12/194043412.db2.gz BFKUKUQKNZCIGM-FXAINCCUSA-N 1 2 295.295 -0.041 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000266435660 190257693 /nfs/dbraw/zinc/25/76/93/190257693.db2.gz LOEORPFPELZDSI-JTQLQIEISA-N 1 2 256.262 -0.516 20 5 CBBDLO CCC(=O)N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522144 208026335 /nfs/dbraw/zinc/02/63/35/208026335.db2.gz VACSUKBSFOOLLY-NSHDSACASA-N 1 2 297.315 -0.336 20 5 CBBDLO CCC(=O)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522144 208026340 /nfs/dbraw/zinc/02/63/40/208026340.db2.gz VACSUKBSFOOLLY-NSHDSACASA-N 1 2 297.315 -0.336 20 5 CBBDLO CCC(=O)N1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522143 208026539 /nfs/dbraw/zinc/02/65/39/208026539.db2.gz VACSUKBSFOOLLY-LLVKDONJSA-N 1 2 297.315 -0.336 20 5 CBBDLO CCC(=O)N1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425522143 208026543 /nfs/dbraw/zinc/02/65/43/208026543.db2.gz VACSUKBSFOOLLY-LLVKDONJSA-N 1 2 297.315 -0.336 20 5 CBBDLO O=C1NC(=O)N2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000352772467 227209954 /nfs/dbraw/zinc/20/99/54/227209954.db2.gz QSFGTDCFADVIIB-MRVPVSSYSA-N 1 2 294.271 -0.973 20 5 CBBDLO O=C1NC(=O)N2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000352772467 227209958 /nfs/dbraw/zinc/20/99/58/227209958.db2.gz QSFGTDCFADVIIB-MRVPVSSYSA-N 1 2 294.271 -0.973 20 5 CBBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366052571 420074831 /nfs/dbraw/zinc/07/48/31/420074831.db2.gz LSOIRLLVSICKNZ-AXFHLTTASA-N 1 2 269.301 -0.415 20 5 CBBDLO Cn1c[nH+]c2c1CCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C2 ZINC000370744537 420185996 /nfs/dbraw/zinc/18/59/96/420185996.db2.gz GZPFARXUGMXKSW-XVKPBYJWSA-N 1 2 250.258 -0.030 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000369686234 420162578 /nfs/dbraw/zinc/16/25/78/420162578.db2.gz HVOHYMXGZSGCPM-GMTAPVOTSA-N 1 2 269.301 -0.415 20 5 CBBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000274007916 280381864 /nfs/dbraw/zinc/38/18/64/280381864.db2.gz ULPKZOBMPRRUOW-SNVBAGLBSA-N 1 2 264.289 -0.204 20 5 CBBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378053933 289047232 /nfs/dbraw/zinc/04/72/32/289047232.db2.gz NPPAJBKTIYCUKG-DDHJBXDOSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000378053937 534257111 /nfs/dbraw/zinc/25/71/11/534257111.db2.gz NPPAJBKTIYCUKG-KXNHARMFSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000782583878 582369493 /nfs/dbraw/zinc/36/94/93/582369493.db2.gz MECJMIXIDGTOMY-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000782583878 582369494 /nfs/dbraw/zinc/36/94/94/582369494.db2.gz MECJMIXIDGTOMY-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000782596677 582369718 /nfs/dbraw/zinc/36/97/18/582369718.db2.gz SNSRXRMZBFWODO-MWLCHTKSSA-N 1 2 297.315 -0.685 20 5 CBBDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000782596677 582369719 /nfs/dbraw/zinc/36/97/19/582369719.db2.gz SNSRXRMZBFWODO-MWLCHTKSSA-N 1 2 297.315 -0.685 20 5 CBBDLO O=C(C[NH+]1CCN(CC[N+](=O)[O-])CC1)N1CCCC1 ZINC000791053261 582392357 /nfs/dbraw/zinc/39/23/57/582392357.db2.gz KGDLSYFXWJADFJ-UHFFFAOYSA-N 1 2 270.333 -0.497 20 5 CBBDLO Cn1nnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819271525 582531034 /nfs/dbraw/zinc/53/10/34/582531034.db2.gz SVYYCJNOCOFAAQ-SNVBAGLBSA-N 1 2 278.272 -0.059 20 5 CBBDLO Cn1nnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819271524 582531081 /nfs/dbraw/zinc/53/10/81/582531081.db2.gz SVYYCJNOCOFAAQ-JTQLQIEISA-N 1 2 278.272 -0.059 20 5 CBBDLO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839666850 583157130 /nfs/dbraw/zinc/15/71/30/583157130.db2.gz UWFIBYCHAQELGR-NXEZZACHSA-N 1 2 271.317 -0.433 20 5 CBBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000840424859 583164698 /nfs/dbraw/zinc/16/46/98/583164698.db2.gz FGGHTEINJIJZNI-GWOFURMSSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000840424859 583164703 /nfs/dbraw/zinc/16/47/03/583164703.db2.gz FGGHTEINJIJZNI-GWOFURMSSA-N 1 2 271.317 -0.435 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854727735 583617499 /nfs/dbraw/zinc/61/74/99/583617499.db2.gz BMGSVOONVGHNKA-QJPTWQEYSA-N 1 2 283.328 -0.025 20 5 CBBDLO O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862106824 583800263 /nfs/dbraw/zinc/80/02/63/583800263.db2.gz WBFBGBFNNFGKMJ-JPPWEJMLSA-N 1 2 269.301 -0.369 20 5 CBBDLO C[N@H+](CCO)Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641995 583885477 /nfs/dbraw/zinc/88/54/77/583885477.db2.gz GDWRLSYFAHBSOP-UHFFFAOYSA-N 1 2 257.294 -0.243 20 5 CBBDLO C[N@@H+](CCO)Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641995 583885479 /nfs/dbraw/zinc/88/54/79/583885479.db2.gz GDWRLSYFAHBSOP-UHFFFAOYSA-N 1 2 257.294 -0.243 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058636 584007983 /nfs/dbraw/zinc/00/79/83/584007983.db2.gz UBKHCENSOJMQTF-IJLUTSLNSA-N 1 2 299.327 -0.789 20 5 CBBDLO CC(=O)N1CC[NH+](CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891821559 584592986 /nfs/dbraw/zinc/59/29/86/584592986.db2.gz KFHYGWDCUJHMBE-UHFFFAOYSA-N 1 2 296.331 -0.096 20 5 CBBDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1C ZINC000893574570 584642446 /nfs/dbraw/zinc/64/24/46/584642446.db2.gz KZVUVLDPFXIIEB-HNBLOZHYSA-N 1 2 286.284 -0.169 20 5 CBBDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1C ZINC000893574570 584642449 /nfs/dbraw/zinc/64/24/49/584642449.db2.gz KZVUVLDPFXIIEB-HNBLOZHYSA-N 1 2 286.284 -0.169 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896536501 584701581 /nfs/dbraw/zinc/70/15/81/584701581.db2.gz VGPCPSHTCSGTNA-ZDCRXTMVSA-N 1 2 270.333 -0.598 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896536501 584701583 /nfs/dbraw/zinc/70/15/83/584701583.db2.gz VGPCPSHTCSGTNA-ZDCRXTMVSA-N 1 2 270.333 -0.598 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000896536100 584701608 /nfs/dbraw/zinc/70/16/08/584701608.db2.gz VGPCPSHTCSGTNA-LNFKQOIKSA-N 1 2 270.333 -0.598 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896536100 584701609 /nfs/dbraw/zinc/70/16/09/584701609.db2.gz VGPCPSHTCSGTNA-LNFKQOIKSA-N 1 2 270.333 -0.598 20 5 CBBDLO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005379331 656899895 /nfs/dbraw/zinc/89/98/95/656899895.db2.gz RVZSBHRCWAASOC-GHMZBOCLSA-N 1 2 298.343 -0.680 20 5 CBBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929257732 659108393 /nfs/dbraw/zinc/10/83/93/659108393.db2.gz VPBBPFNLLFSVRA-VIFPVBQESA-N 1 2 265.335 -0.333 20 5 CBBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929257732 659108394 /nfs/dbraw/zinc/10/83/94/659108394.db2.gz VPBBPFNLLFSVRA-VIFPVBQESA-N 1 2 265.335 -0.333 20 5 CBBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930068762 659202843 /nfs/dbraw/zinc/20/28/43/659202843.db2.gz FPSINLRNJXJTPA-AOOOYVTPSA-N 1 2 260.294 -0.066 20 5 CBBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930068762 659202846 /nfs/dbraw/zinc/20/28/46/659202846.db2.gz FPSINLRNJXJTPA-AOOOYVTPSA-N 1 2 260.294 -0.066 20 5 CBBDLO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930068762 659202850 /nfs/dbraw/zinc/20/28/50/659202850.db2.gz FPSINLRNJXJTPA-AOOOYVTPSA-N 1 2 260.294 -0.066 20 5 CBBDLO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000930068762 659202851 /nfs/dbraw/zinc/20/28/51/659202851.db2.gz FPSINLRNJXJTPA-AOOOYVTPSA-N 1 2 260.294 -0.066 20 5 CBBDLO C[C@H]1[C@H](C)[N@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000931074520 659382198 /nfs/dbraw/zinc/38/21/98/659382198.db2.gz XJPFMFMOXDWWPT-UWVGGRQHSA-N 1 2 260.294 -0.066 20 5 CBBDLO C[C@H]1[C@H](C)[N@@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000931074520 659382201 /nfs/dbraw/zinc/38/22/01/659382201.db2.gz XJPFMFMOXDWWPT-UWVGGRQHSA-N 1 2 260.294 -0.066 20 5 CBBDLO Cn1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000699456810 790701827 /nfs/dbraw/zinc/70/18/27/790701827.db2.gz FNKNRNGZCSFTLK-VIFPVBQESA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000699456810 790701832 /nfs/dbraw/zinc/70/18/32/790701832.db2.gz FNKNRNGZCSFTLK-VIFPVBQESA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000699456809 790702438 /nfs/dbraw/zinc/70/24/38/790702438.db2.gz FNKNRNGZCSFTLK-SECBINFHSA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000699456809 790702443 /nfs/dbraw/zinc/70/24/43/790702443.db2.gz FNKNRNGZCSFTLK-SECBINFHSA-N 1 2 282.300 -0.318 20 5 CBBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063414 790987312 /nfs/dbraw/zinc/98/73/12/790987312.db2.gz BHKXQWGKWLPLCY-BKFJMODKSA-N 1 2 297.340 -0.060 20 5 CBBDLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042680 815258284 /nfs/dbraw/zinc/25/82/84/815258284.db2.gz DTHOUMCTKOMRHT-QUBYGPBYSA-N 1 2 269.261 -0.289 20 5 CBBDLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042680 815258288 /nfs/dbraw/zinc/25/82/88/815258288.db2.gz DTHOUMCTKOMRHT-QUBYGPBYSA-N 1 2 269.261 -0.289 20 5 CBBDLO COc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155570868 815294217 /nfs/dbraw/zinc/29/42/17/815294217.db2.gz PWGYMYQIQLUARV-WRWORJQWSA-N 1 2 294.271 -0.617 20 5 CBBDLO COc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155570865 815294580 /nfs/dbraw/zinc/29/45/80/815294580.db2.gz PWGYMYQIQLUARV-CPCISQLKSA-N 1 2 294.271 -0.617 20 5 CBBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001157773908 815466121 /nfs/dbraw/zinc/46/61/21/815466121.db2.gz UMAYSSYMCGJLHO-JTQLQIEISA-N 1 2 295.299 -0.135 20 5 CBBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001157773908 815466127 /nfs/dbraw/zinc/46/61/27/815466127.db2.gz UMAYSSYMCGJLHO-JTQLQIEISA-N 1 2 295.299 -0.135 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3cnnc3C2)c1 ZINC001116326221 812245464 /nfs/dbraw/zinc/24/54/64/812245464.db2.gz XSKRTSGQQMXQSY-UHFFFAOYSA-N 1 2 263.261 -0.101 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3cnnc3C2)c1 ZINC001116326221 812245468 /nfs/dbraw/zinc/24/54/68/812245468.db2.gz XSKRTSGQQMXQSY-UHFFFAOYSA-N 1 2 263.261 -0.101 20 5 CBBDLO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126932281 813694400 /nfs/dbraw/zinc/69/44/00/813694400.db2.gz QEIYREVJUAEJTB-RKDXNWHRSA-N 1 2 268.273 -0.146 20 5 CBBDLO O=C(NCC[NH2+]Cc1csnn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932443 813695404 /nfs/dbraw/zinc/69/54/04/813695404.db2.gz XZVHTUORUWVMLF-HTQZYQBOSA-N 1 2 271.302 -0.591 20 5 CBBDLO O=C(NCC[NH2+]Cc1nncs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936879 813697039 /nfs/dbraw/zinc/69/70/39/813697039.db2.gz VTPJQLXGTCCXSD-RNFRBKRXSA-N 1 2 271.302 -0.591 20 5 CBBDLO O=C(NCC[NH2+]Cc1nc(C2CC2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936691 813697410 /nfs/dbraw/zinc/69/74/10/813697410.db2.gz QRXXXSUWNQWHEM-RKDXNWHRSA-N 1 2 295.299 -0.182 20 5 CBBDLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128286008 813769813 /nfs/dbraw/zinc/76/98/13/813769813.db2.gz KJDMDUUTHYZQEJ-IJLUTSLNSA-N 1 2 284.360 -0.206 20 5 CBBDLO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128286008 813769817 /nfs/dbraw/zinc/76/98/17/813769817.db2.gz KJDMDUUTHYZQEJ-IJLUTSLNSA-N 1 2 284.360 -0.206 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001161950095 815796058 /nfs/dbraw/zinc/79/60/58/815796058.db2.gz KGDQKAQRVVQZMW-SSDOTTSWSA-N 1 2 269.261 -0.126 20 5 CBBDLO CCN(CC[NH2+]Cc1nonc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734171 817383486 /nfs/dbraw/zinc/38/34/86/817383486.db2.gz DNYPLYVSTVIIMR-MWLCHTKSSA-N 1 2 297.315 -0.019 20 5 CBBDLO Cc1cc([N+](=O)[O-])cnc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001163838179 819859463 /nfs/dbraw/zinc/85/94/63/819859463.db2.gz PYRJGRYJSVCVSV-UHFFFAOYSA-N 1 2 291.311 -0.033 20 5 CBBDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001168348836 820158479 /nfs/dbraw/zinc/15/84/79/820158479.db2.gz GZDBWEKUBYOULH-ZETCQYMHSA-N 1 2 280.244 -0.485 20 5 CBBDLO CNc1cc([N+](=O)[O-])cnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168756373 820176909 /nfs/dbraw/zinc/17/69/09/820176909.db2.gz QDFXMEQYTVSYTR-UHFFFAOYSA-N 1 2 265.233 -0.224 20 5 CBBDLO CCOC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964158 820197733 /nfs/dbraw/zinc/19/77/33/820197733.db2.gz RDRSGYVZTKNTFX-AEJSXWLSSA-N 1 2 260.290 -0.055 20 5 CBBDLO NC(=O)c1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168978044 820198668 /nfs/dbraw/zinc/19/86/68/820198668.db2.gz NWVJRPLLHFPOKA-RQJHMYQMSA-N 1 2 269.261 -0.297 20 5 CBBDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168983433 820199217 /nfs/dbraw/zinc/19/92/17/820199217.db2.gz KAZMGDIZKPUDRY-XFWSIPNHSA-N 1 2 260.290 -0.056 20 5 CBBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001179458873 820630126 /nfs/dbraw/zinc/63/01/26/820630126.db2.gz USUDMFGPOMPSRG-UHFFFAOYSA-N 1 2 294.267 -0.492 20 5 CBBDLO Cc1nn(C)c(N2CC3(C2)CC(=O)NCC[NH2+]3)c1[N+](=O)[O-] ZINC001187199867 821219099 /nfs/dbraw/zinc/21/90/99/821219099.db2.gz VGRPVRDAELRAOX-UHFFFAOYSA-N 1 2 294.315 -0.695 20 5 CBBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213799297 824516522 /nfs/dbraw/zinc/51/65/22/824516522.db2.gz AIAYYJYVGMHGKC-QMMMGPOBSA-N 1 2 286.313 -0.028 20 5 CBBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213799297 824516525 /nfs/dbraw/zinc/51/65/25/824516525.db2.gz AIAYYJYVGMHGKC-QMMMGPOBSA-N 1 2 286.313 -0.028 20 5 CBBDLO COc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001266696529 827054744 /nfs/dbraw/zinc/05/47/44/827054744.db2.gz LODOEBTZMUVGPP-NXEZZACHSA-N 1 2 298.299 -0.104 20 5 CBBDLO CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450566 827331634 /nfs/dbraw/zinc/33/16/34/827331634.db2.gz XUTIOHAJMNEXOO-NXEZZACHSA-N 1 2 296.331 -0.582 20 5 CBBDLO Cc1nonc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274014780 827952845 /nfs/dbraw/zinc/95/28/45/827952845.db2.gz CJXYTHRDZZQBAR-ONKIFHLLSA-N 1 2 295.299 -0.195 20 5 CBBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC001341460153 889602064 /nfs/dbraw/zinc/60/20/64/889602064.db2.gz LRGNAWMWZPVVMB-SCZZXKLOSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC001341460153 889602072 /nfs/dbraw/zinc/60/20/72/889602072.db2.gz LRGNAWMWZPVVMB-SCZZXKLOSA-N 1 2 297.315 -0.223 20 5 CBBDLO Cc1nnc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC001347140735 890412327 /nfs/dbraw/zinc/41/23/27/890412327.db2.gz YTWQXQKLMKXQLR-SNVBAGLBSA-N 1 2 296.287 -0.024 20 5 CBBDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC001347140735 890412333 /nfs/dbraw/zinc/41/23/33/890412333.db2.gz YTWQXQKLMKXQLR-SNVBAGLBSA-N 1 2 296.287 -0.024 20 5 CBBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001454523990 914217258 /nfs/dbraw/zinc/21/72/58/914217258.db2.gz OPQDCRWTFUBCBJ-SECBINFHSA-N 1 2 291.271 -0.172 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CCO)CC1 ZINC001464038403 914955240 /nfs/dbraw/zinc/95/52/40/914955240.db2.gz BBFBNXDUBDTYBE-UHFFFAOYSA-N 1 2 297.315 -0.764 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442989 915813364 /nfs/dbraw/zinc/81/33/64/915813364.db2.gz QGSCODYUWZPLKU-WCBMZHEXSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442989 915813380 /nfs/dbraw/zinc/81/33/80/915813380.db2.gz QGSCODYUWZPLKU-WCBMZHEXSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1cc(C[NH+]2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])n1 ZINC001473468779 915820939 /nfs/dbraw/zinc/82/09/39/915820939.db2.gz ROURGXZWPSKAFI-UHFFFAOYSA-N 1 2 283.288 -0.860 20 5 CBBDLO CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480862953 916588602 /nfs/dbraw/zinc/58/86/02/916588602.db2.gz JIXINAUDHLMFMI-NXEZZACHSA-N 1 2 286.332 -0.776 20 5 CBBDLO CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480862953 916588616 /nfs/dbraw/zinc/58/86/16/916588616.db2.gz JIXINAUDHLMFMI-NXEZZACHSA-N 1 2 286.332 -0.776 20 5 CBBDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001558336280 924164906 /nfs/dbraw/zinc/16/49/06/924164906.db2.gz USWZUBZAUBQHJF-LURJTMIESA-N 1 2 255.234 -0.413 20 5 CBBDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001558336280 924164913 /nfs/dbraw/zinc/16/49/13/924164913.db2.gz USWZUBZAUBQHJF-LURJTMIESA-N 1 2 255.234 -0.413 20 5 CBBDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026484521 351366578 /nfs/dbraw/zinc/36/65/78/351366578.db2.gz XKJRMSJSCNVTSV-SECBINFHSA-N 1 2 279.300 -0.014 20 5 CBBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CCO)CC1 ZINC000033380389 351382985 /nfs/dbraw/zinc/38/29/85/351382985.db2.gz RWWFESSQZGVXDH-UHFFFAOYSA-N 1 2 269.257 -0.062 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[NH+]1CCOCC1 ZINC000035994580 351387772 /nfs/dbraw/zinc/38/77/72/351387772.db2.gz GAZGHCHCYRSPIV-SNVBAGLBSA-N 1 2 270.289 -0.207 20 5 CBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCOCC1 ZINC000043285073 351441209 /nfs/dbraw/zinc/44/12/09/351441209.db2.gz STMRFRLBRPOCBA-UHFFFAOYSA-N 1 2 283.288 -0.760 20 5 CBBDLO O=C(C[NH+](CCO)CCO)Nc1ccccc1[N+](=O)[O-] ZINC000049753325 351495701 /nfs/dbraw/zinc/49/57/01/351495701.db2.gz AGZHMIYDUCBLCQ-UHFFFAOYSA-N 1 2 283.284 -0.180 20 5 CBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000068104540 351614941 /nfs/dbraw/zinc/61/49/41/351614941.db2.gz VGVMQGWDQPGXTE-MNOVXSKESA-N 1 2 298.343 -0.678 20 5 CBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000068104540 351614946 /nfs/dbraw/zinc/61/49/46/351614946.db2.gz VGVMQGWDQPGXTE-MNOVXSKESA-N 1 2 298.343 -0.678 20 5 CBBDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716177 351671317 /nfs/dbraw/zinc/67/13/17/351671317.db2.gz LMMJMIXODWYVBG-QWRGUYRKSA-N 1 2 298.299 -0.210 20 5 CBBDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716177 351671321 /nfs/dbraw/zinc/67/13/21/351671321.db2.gz LMMJMIXODWYVBG-QWRGUYRKSA-N 1 2 298.299 -0.210 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000123331081 187085502 /nfs/dbraw/zinc/08/55/02/187085502.db2.gz BHUUXLKENXLSKG-NSHDSACASA-N 1 2 283.284 -0.550 20 5 CBBDLO Cc1cc(=O)n(C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000123369828 187087928 /nfs/dbraw/zinc/08/79/28/187087928.db2.gz VPJHTKMSWILBGU-NSHDSACASA-N 1 2 297.311 -0.242 20 5 CBBDLO O=C(NCCC[NH+]1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158999107 351960631 /nfs/dbraw/zinc/96/06/31/351960631.db2.gz RAVWZZNWSWBIBW-UHFFFAOYSA-N 1 2 283.288 -0.230 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1CO ZINC000168824069 351995829 /nfs/dbraw/zinc/99/58/29/351995829.db2.gz GBVZKIBLPNQWQF-SNVBAGLBSA-N 1 2 270.289 -0.207 20 5 CBBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1CO ZINC000168824069 351995831 /nfs/dbraw/zinc/99/58/31/351995831.db2.gz GBVZKIBLPNQWQF-SNVBAGLBSA-N 1 2 270.289 -0.207 20 5 CBBDLO O=C1NC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000175934514 352061331 /nfs/dbraw/zinc/06/13/31/352061331.db2.gz AATYJRQLTFQVLT-VIFPVBQESA-N 1 2 280.288 -0.499 20 5 CBBDLO O=C1NC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000175934514 352061333 /nfs/dbraw/zinc/06/13/33/352061333.db2.gz AATYJRQLTFQVLT-VIFPVBQESA-N 1 2 280.288 -0.499 20 5 CBBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176195627 352063165 /nfs/dbraw/zinc/06/31/65/352063165.db2.gz LFHPNFFRBWWBOI-VIFPVBQESA-N 1 2 288.329 -0.090 20 5 CBBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176195627 352063168 /nfs/dbraw/zinc/06/31/68/352063168.db2.gz LFHPNFFRBWWBOI-VIFPVBQESA-N 1 2 288.329 -0.090 20 5 CBBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176195605 352063369 /nfs/dbraw/zinc/06/33/69/352063369.db2.gz LFHPNFFRBWWBOI-SECBINFHSA-N 1 2 288.329 -0.090 20 5 CBBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176195605 352063370 /nfs/dbraw/zinc/06/33/70/352063370.db2.gz LFHPNFFRBWWBOI-SECBINFHSA-N 1 2 288.329 -0.090 20 5 CBBDLO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000176243649 352063440 /nfs/dbraw/zinc/06/34/40/352063440.db2.gz ODZWFMZNHAARSB-UHFFFAOYSA-N 1 2 286.288 -0.087 20 5 CBBDLO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000176243649 352063444 /nfs/dbraw/zinc/06/34/44/352063444.db2.gz ODZWFMZNHAARSB-UHFFFAOYSA-N 1 2 286.288 -0.087 20 5 CBBDLO COCC(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176210499 352063495 /nfs/dbraw/zinc/06/34/95/352063495.db2.gz VTEWXRWRILFKPN-UHFFFAOYSA-N 1 2 297.315 -0.418 20 5 CBBDLO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176229683 352063624 /nfs/dbraw/zinc/06/36/24/352063624.db2.gz AUUOHABAFJMICG-VIFPVBQESA-N 1 2 284.272 -0.335 20 5 CBBDLO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176229683 352063627 /nfs/dbraw/zinc/06/36/27/352063627.db2.gz AUUOHABAFJMICG-VIFPVBQESA-N 1 2 284.272 -0.335 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185512721 352120576 /nfs/dbraw/zinc/12/05/76/352120576.db2.gz QLKIDKLCHYQBHB-BDAKNGLRSA-N 1 2 284.272 -0.601 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185512721 352120578 /nfs/dbraw/zinc/12/05/78/352120578.db2.gz QLKIDKLCHYQBHB-BDAKNGLRSA-N 1 2 284.272 -0.601 20 5 CBBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186993294 352135037 /nfs/dbraw/zinc/13/50/37/352135037.db2.gz DIPAVCPMDDDMTG-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186993294 352135040 /nfs/dbraw/zinc/13/50/40/352135040.db2.gz DIPAVCPMDDDMTG-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000187001956 352135143 /nfs/dbraw/zinc/13/51/43/352135143.db2.gz FABDIBXJPNSNEO-SECBINFHSA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000187001956 352135145 /nfs/dbraw/zinc/13/51/45/352135145.db2.gz FABDIBXJPNSNEO-SECBINFHSA-N 1 2 267.289 -0.046 20 5 CBBDLO CN1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1=O ZINC000191112778 352187258 /nfs/dbraw/zinc/18/72/58/352187258.db2.gz ZCCYDAIMNJOBJI-UHFFFAOYSA-N 1 2 267.289 -0.045 20 5 CBBDLO CN1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1=O ZINC000191112778 352187261 /nfs/dbraw/zinc/18/72/61/352187261.db2.gz ZCCYDAIMNJOBJI-UHFFFAOYSA-N 1 2 267.289 -0.045 20 5 CBBDLO Nc1nc(NCCC[N@@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000269931899 352483972 /nfs/dbraw/zinc/48/39/72/352483972.db2.gz DHGBHOHHCHIGOS-UHFFFAOYSA-N 1 2 295.303 -0.799 20 5 CBBDLO Nc1nc(NCCC[N@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000269931899 352483976 /nfs/dbraw/zinc/48/39/76/352483976.db2.gz DHGBHOHHCHIGOS-UHFFFAOYSA-N 1 2 295.303 -0.799 20 5 CBBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282167978 352601174 /nfs/dbraw/zinc/60/11/74/352601174.db2.gz MATJYDOMWLBRSO-SECBINFHSA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282167978 352601177 /nfs/dbraw/zinc/60/11/77/352601177.db2.gz MATJYDOMWLBRSO-SECBINFHSA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282167982 352601519 /nfs/dbraw/zinc/60/15/19/352601519.db2.gz MATJYDOMWLBRSO-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(=O)N1C ZINC000282167982 352601521 /nfs/dbraw/zinc/60/15/21/352601521.db2.gz MATJYDOMWLBRSO-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000287288195 352654262 /nfs/dbraw/zinc/65/42/62/352654262.db2.gz ZFYVFYJOBBLULU-UHFFFAOYSA-N 1 2 295.299 -0.088 20 5 CBBDLO CCOC1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000296153758 352708428 /nfs/dbraw/zinc/70/84/28/352708428.db2.gz MUDNBFKZKXCHRV-JTQLQIEISA-N 1 2 270.289 -0.127 20 5 CBBDLO Cn1c[nH+]cc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000291305077 352684007 /nfs/dbraw/zinc/68/40/07/352684007.db2.gz SRSJPHVHHLCSSU-UHFFFAOYSA-N 1 2 264.245 -0.159 20 5 CBBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305129915 352748811 /nfs/dbraw/zinc/74/88/11/352748811.db2.gz MMWMSGRCCFTIIA-MWLCHTKSSA-N 1 2 270.289 -0.127 20 5 CBBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305129915 352748815 /nfs/dbraw/zinc/74/88/15/352748815.db2.gz MMWMSGRCCFTIIA-MWLCHTKSSA-N 1 2 270.289 -0.127 20 5 CBBDLO Cc1cn(C[C@@H](O)C[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000311786388 352770382 /nfs/dbraw/zinc/77/03/82/352770382.db2.gz JNNMBLKXOULTPS-JTQLQIEISA-N 1 2 270.289 -0.207 20 5 CBBDLO CN(CC[NH+]1CCOCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330556933 352847880 /nfs/dbraw/zinc/84/78/80/352847880.db2.gz FYZMPBOCUPDESW-UHFFFAOYSA-N 1 2 297.315 -0.268 20 5 CBBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000331177463 352888175 /nfs/dbraw/zinc/88/81/75/352888175.db2.gz QJKRGZFZAOHIBG-VIFPVBQESA-N 1 2 297.315 -0.533 20 5 CBBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331293923 352902431 /nfs/dbraw/zinc/90/24/31/352902431.db2.gz LZCSATPJZCDXDI-TXEJJXNPSA-N 1 2 295.295 -0.121 20 5 CBBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331293923 352902433 /nfs/dbraw/zinc/90/24/33/352902433.db2.gz LZCSATPJZCDXDI-TXEJJXNPSA-N 1 2 295.295 -0.121 20 5 CBBDLO C[C@H](O)C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000153023249 188059935 /nfs/dbraw/zinc/05/99/35/188059935.db2.gz VQAICWAEPNWBHR-JTQLQIEISA-N 1 2 297.315 -0.684 20 5 CBBDLO COCC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157701022 188333808 /nfs/dbraw/zinc/33/38/08/188333808.db2.gz XWIZZUGXUCTHPZ-UHFFFAOYSA-N 1 2 297.315 -0.418 20 5 CBBDLO COc1cc[nH+]cc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000348255892 353416544 /nfs/dbraw/zinc/41/65/44/353416544.db2.gz LCZDXWJGURKCOR-UHFFFAOYSA-N 1 2 292.255 -0.094 20 5 CBBDLO COC1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000353012181 353516764 /nfs/dbraw/zinc/51/67/64/353516764.db2.gz OEBNRJDRWZFXTN-VIFPVBQESA-N 1 2 256.262 -0.517 20 5 CBBDLO COC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000353012180 353516792 /nfs/dbraw/zinc/51/67/92/353516792.db2.gz OEBNRJDRWZFXTN-SECBINFHSA-N 1 2 256.262 -0.517 20 5 CBBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000376189396 353772765 /nfs/dbraw/zinc/77/27/65/353772765.db2.gz SMSGCLMWHYFIJJ-RHYQMDGZSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000555290209 354678429 /nfs/dbraw/zinc/67/84/29/354678429.db2.gz YLAMVUSEOCJUIR-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000555290209 354678432 /nfs/dbraw/zinc/67/84/32/354678432.db2.gz YLAMVUSEOCJUIR-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000585682913 355048627 /nfs/dbraw/zinc/04/86/27/355048627.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 1 2 294.315 -0.562 20 5 CBBDLO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000585682913 355048632 /nfs/dbraw/zinc/04/86/32/355048632.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 1 2 294.315 -0.562 20 5 CBBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000586796862 355053334 /nfs/dbraw/zinc/05/33/34/355053334.db2.gz WEJJWWXRYQQTFI-SECBINFHSA-N 1 2 295.299 -0.135 20 5 CBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCC2)nc1 ZINC000593568249 355209663 /nfs/dbraw/zinc/20/96/63/355209663.db2.gz VHCXQGMIKRDSDE-UHFFFAOYSA-N 1 2 286.313 -0.026 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100095 355193769 /nfs/dbraw/zinc/19/37/69/355193769.db2.gz MSWAPRCWBIYQTE-MKXJDEKUSA-N 1 2 297.336 -0.038 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100095 355193770 /nfs/dbraw/zinc/19/37/70/355193770.db2.gz MSWAPRCWBIYQTE-MKXJDEKUSA-N 1 2 297.336 -0.038 20 5 CBBDLO Cc1noc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000595338759 355282935 /nfs/dbraw/zinc/28/29/35/355282935.db2.gz SYHGYMMMFNLKGQ-OCAPTIKFSA-N 1 2 257.246 -0.181 20 5 CBBDLO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000595338759 355282936 /nfs/dbraw/zinc/28/29/36/355282936.db2.gz SYHGYMMMFNLKGQ-OCAPTIKFSA-N 1 2 257.246 -0.181 20 5 CBBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599532609 355496398 /nfs/dbraw/zinc/49/63/98/355496398.db2.gz SEVOKZFEEVOTGL-UWJYBYFXSA-N 1 2 295.295 -0.041 20 5 CBBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598947660 355457001 /nfs/dbraw/zinc/45/70/01/355457001.db2.gz OYMRSZGLMUIOIF-LURJTMIESA-N 1 2 262.229 -0.131 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420205 355543603 /nfs/dbraw/zinc/54/36/03/355543603.db2.gz KBAGHBBCVBLTBB-SNVBAGLBSA-N 1 2 282.300 -0.006 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420205 355543607 /nfs/dbraw/zinc/54/36/07/355543607.db2.gz KBAGHBBCVBLTBB-SNVBAGLBSA-N 1 2 282.300 -0.006 20 5 CBBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000619789088 356227511 /nfs/dbraw/zinc/22/75/11/356227511.db2.gz FMBPRKUXCCVOBW-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000619789088 356227512 /nfs/dbraw/zinc/22/75/12/356227512.db2.gz FMBPRKUXCCVOBW-CBAPKCEASA-N 1 2 283.288 -0.233 20 5 CBBDLO CNC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000184051044 189375075 /nfs/dbraw/zinc/37/50/75/189375075.db2.gz PRZWHXBRFQVGGD-SNVBAGLBSA-N 1 2 283.288 -0.762 20 5 CBBDLO CNC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000184051044 189375076 /nfs/dbraw/zinc/37/50/76/189375076.db2.gz PRZWHXBRFQVGGD-SNVBAGLBSA-N 1 2 283.288 -0.762 20 5 CBBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(=O)N1C ZINC000281991300 372933648 /nfs/dbraw/zinc/93/36/48/372933648.db2.gz CLQJDSYJALZVBY-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(=O)N1C ZINC000281991300 372933656 /nfs/dbraw/zinc/93/36/56/372933656.db2.gz CLQJDSYJALZVBY-VIFPVBQESA-N 1 2 267.289 -0.046 20 5 CBBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000355254507 248171958 /nfs/dbraw/zinc/17/19/58/248171958.db2.gz JUCHLPWTOXWOKW-UHFFFAOYSA-N 1 2 264.245 -0.008 20 5 CBBDLO COC(=O)C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266558721 190266871 /nfs/dbraw/zinc/26/68/71/190266871.db2.gz WZWIYPDSEXGKAI-VIFPVBQESA-N 1 2 286.288 -0.307 20 5 CBBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278940972 194222415 /nfs/dbraw/zinc/22/24/15/194222415.db2.gz YDMLIWIKDNHGFH-KPXOXKRLSA-N 1 2 295.295 -0.041 20 5 CBBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278940972 194222417 /nfs/dbraw/zinc/22/24/17/194222417.db2.gz YDMLIWIKDNHGFH-KPXOXKRLSA-N 1 2 295.295 -0.041 20 5 CBBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278940976 194222808 /nfs/dbraw/zinc/22/28/08/194222808.db2.gz YDMLIWIKDNHGFH-ZHAHWJHGSA-N 1 2 295.295 -0.041 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000429308300 208119749 /nfs/dbraw/zinc/11/97/49/208119749.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 1 2 263.261 -0.032 20 5 CBBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000429308300 208119754 /nfs/dbraw/zinc/11/97/54/208119754.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 1 2 263.261 -0.032 20 5 CBBDLO C[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000352641809 411851037 /nfs/dbraw/zinc/85/10/37/411851037.db2.gz YIFROSWEPFHUAG-QMMMGPOBSA-N 1 2 282.304 -0.479 20 5 CBBDLO C[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000352641809 411851041 /nfs/dbraw/zinc/85/10/41/411851041.db2.gz YIFROSWEPFHUAG-QMMMGPOBSA-N 1 2 282.304 -0.479 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000022238430 171380660 /nfs/dbraw/zinc/38/06/60/171380660.db2.gz PFHROZRJFDWCQJ-SECBINFHSA-N 1 2 297.315 -0.221 20 5 CBBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](CCO)CC1 ZINC000035186851 172041553 /nfs/dbraw/zinc/04/15/53/172041553.db2.gz IQSQEHZJMYCQNS-UHFFFAOYSA-N 1 2 296.283 -0.967 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000367972763 420120351 /nfs/dbraw/zinc/12/03/51/420120351.db2.gz DXWLFOXXAMDUBC-QJPTWQEYSA-N 1 2 283.328 -0.025 20 5 CBBDLO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000369151674 420152351 /nfs/dbraw/zinc/15/23/51/420152351.db2.gz GNSNOARCIPBGHI-BDAKNGLRSA-N 1 2 294.315 -0.692 20 5 CBBDLO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369151674 420152359 /nfs/dbraw/zinc/15/23/59/420152359.db2.gz GNSNOARCIPBGHI-BDAKNGLRSA-N 1 2 294.315 -0.692 20 5 CBBDLO Cc1nn(C)c(N2CCC[N@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000369385720 420157636 /nfs/dbraw/zinc/15/76/36/420157636.db2.gz MEFYIPXBRXZMGL-UHFFFAOYSA-N 1 2 296.331 -0.366 20 5 CBBDLO Cc1nn(C)c(N2CCC[N@@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000369385720 420157641 /nfs/dbraw/zinc/15/76/41/420157641.db2.gz MEFYIPXBRXZMGL-UHFFFAOYSA-N 1 2 296.331 -0.366 20 5 CBBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000369686233 420163621 /nfs/dbraw/zinc/16/36/21/420163621.db2.gz HVOHYMXGZSGCPM-AXFHLTTASA-N 1 2 269.301 -0.415 20 5 CBBDLO C[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548408108 420422513 /nfs/dbraw/zinc/42/25/13/420422513.db2.gz JYDIXFMHTVHCSX-UHFFFAOYSA-N 1 2 265.273 -0.040 20 5 CBBDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000377830220 230301363 /nfs/dbraw/zinc/30/13/63/230301363.db2.gz BVQHQYMTGJYAQS-DDHJBXDOSA-N 1 2 283.328 -0.169 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21 ZINC000284646705 277120319 /nfs/dbraw/zinc/12/03/19/277120319.db2.gz FXQDGYNOOVLIOE-VHSXEESVSA-N 1 2 295.299 -0.137 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21 ZINC000284646705 277120320 /nfs/dbraw/zinc/12/03/20/277120320.db2.gz FXQDGYNOOVLIOE-VHSXEESVSA-N 1 2 295.299 -0.137 20 5 CBBDLO O=C(Cn1cc[nH+]c1)NCCn1cc([N+](=O)[O-])cn1 ZINC000571135315 328087677 /nfs/dbraw/zinc/08/76/77/328087677.db2.gz PMLUJFWTSOFKBR-UHFFFAOYSA-N 1 2 264.245 -0.196 20 5 CBBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000378445940 527718104 /nfs/dbraw/zinc/71/81/04/527718104.db2.gz WXZSFMQEBJDOIU-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000378445940 527718106 /nfs/dbraw/zinc/71/81/06/527718106.db2.gz WXZSFMQEBJDOIU-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO C[S@@](=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000760548599 582313303 /nfs/dbraw/zinc/31/33/03/582313303.db2.gz GYUUAJAQNNAJES-HXUWFJFHSA-N 1 2 299.356 -0.115 20 5 CBBDLO COC(=O)CN(CC[N+](=O)[O-])CC[NH+]1CCOCC1 ZINC000798194992 582414395 /nfs/dbraw/zinc/41/43/95/582414395.db2.gz BYXCYOMMMVWGOM-UHFFFAOYSA-N 1 2 275.305 -0.930 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839531817 583156314 /nfs/dbraw/zinc/15/63/14/583156314.db2.gz OOXDHCVDKIZKEY-IVZWLZJFSA-N 1 2 257.290 -0.512 20 5 CBBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839619928 583156897 /nfs/dbraw/zinc/15/68/97/583156897.db2.gz CCYFCKWEUMZCRY-OPRDCNLKSA-N 1 2 257.290 -0.512 20 5 CBBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839619928 583156898 /nfs/dbraw/zinc/15/68/98/583156898.db2.gz CCYFCKWEUMZCRY-OPRDCNLKSA-N 1 2 257.290 -0.512 20 5 CBBDLO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839714453 583158319 /nfs/dbraw/zinc/15/83/19/583158319.db2.gz FEMRUWGJESRTNU-HBNTYKKESA-N 1 2 271.317 -0.433 20 5 CBBDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839739644 583159126 /nfs/dbraw/zinc/15/91/26/583159126.db2.gz KFOLGRZIXXXMBW-NXEZZACHSA-N 1 2 269.301 -0.367 20 5 CBBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840474327 583165388 /nfs/dbraw/zinc/16/53/88/583165388.db2.gz GORODADRSWISEB-IVZWLZJFSA-N 1 2 257.290 -0.823 20 5 CBBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840474327 583165390 /nfs/dbraw/zinc/16/53/90/583165390.db2.gz GORODADRSWISEB-IVZWLZJFSA-N 1 2 257.290 -0.823 20 5 CBBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000886030903 584430450 /nfs/dbraw/zinc/43/04/50/584430450.db2.gz XFECNIWSGSTPOI-AOOOYVTPSA-N 1 2 253.258 -0.083 20 5 CBBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000886030903 584430451 /nfs/dbraw/zinc/43/04/51/584430451.db2.gz XFECNIWSGSTPOI-AOOOYVTPSA-N 1 2 253.258 -0.083 20 5 CBBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930017903 659195926 /nfs/dbraw/zinc/19/59/26/659195926.db2.gz LKBCKGOLKUREHA-MRVPVSSYSA-N 1 2 251.308 -0.723 20 5 CBBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930017903 659195930 /nfs/dbraw/zinc/19/59/30/659195930.db2.gz LKBCKGOLKUREHA-MRVPVSSYSA-N 1 2 251.308 -0.723 20 5 CBBDLO Cc1noc(CN2CC[N@@H+](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000931400145 659449603 /nfs/dbraw/zinc/44/96/03/659449603.db2.gz LGFDQIAEIXHQJC-SECBINFHSA-N 1 2 270.289 0.000 20 5 CBBDLO Cc1noc(CN2CC[N@H+](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000931400145 659449607 /nfs/dbraw/zinc/44/96/07/659449607.db2.gz LGFDQIAEIXHQJC-SECBINFHSA-N 1 2 270.289 0.000 20 5 CBBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139267 658017569 /nfs/dbraw/zinc/01/75/69/658017569.db2.gz WIBNIKPRJHTQCI-GWOFURMSSA-N 1 2 291.311 -0.121 20 5 CBBDLO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981765078 659330398 /nfs/dbraw/zinc/33/03/98/659330398.db2.gz PCPQKIFINAHKKO-NXEZZACHSA-N 1 2 296.327 -0.939 20 5 CBBDLO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981765078 659330403 /nfs/dbraw/zinc/33/04/03/659330403.db2.gz PCPQKIFINAHKKO-NXEZZACHSA-N 1 2 296.327 -0.939 20 5 CBBDLO NC(=O)COC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001323609617 804049462 /nfs/dbraw/zinc/04/94/62/804049462.db2.gz WDMHQGOPCRJQSR-UHFFFAOYSA-N 1 2 283.288 -0.285 20 5 CBBDLO CCc1[nH]c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c[nH+]1 ZINC001156538428 815364941 /nfs/dbraw/zinc/36/49/41/815364941.db2.gz UZODYYDMKQAFCU-UHFFFAOYSA-N 1 2 279.260 -0.212 20 5 CBBDLO CCc1[nH]cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)[nH+]1 ZINC001156538428 815364949 /nfs/dbraw/zinc/36/49/49/815364949.db2.gz UZODYYDMKQAFCU-UHFFFAOYSA-N 1 2 279.260 -0.212 20 5 CBBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001157773732 815465834 /nfs/dbraw/zinc/46/58/34/815465834.db2.gz ZXNCVHLAWJPHAG-JTQLQIEISA-N 1 2 295.299 -0.135 20 5 CBBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001157773732 815465837 /nfs/dbraw/zinc/46/58/37/815465837.db2.gz ZXNCVHLAWJPHAG-JTQLQIEISA-N 1 2 295.299 -0.135 20 5 CBBDLO O=C(NCCC[NH2+]Cc1csnn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767328 815463115 /nfs/dbraw/zinc/46/31/15/815463115.db2.gz LEVFPDYUXZJZHU-RKDXNWHRSA-N 1 2 285.329 -0.201 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[NH2+]1 ZINC001158255538 815517175 /nfs/dbraw/zinc/51/71/75/815517175.db2.gz XEELQSUTFORUBR-SVRRBLITSA-N 1 2 281.272 -0.113 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2N)C[NH2+]1 ZINC001158255888 815517335 /nfs/dbraw/zinc/51/73/35/815517335.db2.gz DPYLFQLNCMFTLQ-MUWHJKNJSA-N 1 2 281.272 -0.113 20 5 CBBDLO Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932429 813695310 /nfs/dbraw/zinc/69/53/10/813695310.db2.gz XLGOFKHTUAYSIG-HTQZYQBOSA-N 1 2 269.261 -0.751 20 5 CBBDLO COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001126936896 813697304 /nfs/dbraw/zinc/69/73/04/813697304.db2.gz WQLZDAXSHIAMFH-RKDXNWHRSA-N 1 2 284.272 -0.446 20 5 CBBDLO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001126936406 813697376 /nfs/dbraw/zinc/69/73/76/813697376.db2.gz GGYIAVSXIXPOCU-RKDXNWHRSA-N 1 2 296.331 -0.201 20 5 CBBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001161635656 815776143 /nfs/dbraw/zinc/77/61/43/815776143.db2.gz XCKDATCQCAUASB-VIFPVBQESA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001161635656 815776148 /nfs/dbraw/zinc/77/61/48/815776148.db2.gz XCKDATCQCAUASB-VIFPVBQESA-N 1 2 297.315 -0.533 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001161950681 815797402 /nfs/dbraw/zinc/79/74/02/815797402.db2.gz UCZPJFSRCWDPFA-ZCFIWIBFSA-N 1 2 269.261 -0.126 20 5 CBBDLO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001320043748 817272292 /nfs/dbraw/zinc/27/22/92/817272292.db2.gz YLBSLSVVIKKVIB-UHFFFAOYSA-N 1 2 294.311 -0.030 20 5 CBBDLO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001320043748 817272296 /nfs/dbraw/zinc/27/22/96/817272296.db2.gz YLBSLSVVIKKVIB-UHFFFAOYSA-N 1 2 294.311 -0.030 20 5 CBBDLO [NH3+]Cc1nnnn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001168924180 820194819 /nfs/dbraw/zinc/19/48/19/820194819.db2.gz KHGSUPPERGJDEE-UHFFFAOYSA-N 1 2 260.217 -0.095 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(N)c2[N+](=O)[O-])C[NH2+]1 ZINC001169131084 820210543 /nfs/dbraw/zinc/21/05/43/820210543.db2.gz UFWBQRPWRPKRIV-SVRRBLITSA-N 1 2 281.272 -0.113 20 5 CBBDLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001175388518 820425065 /nfs/dbraw/zinc/42/50/65/820425065.db2.gz CKMQQOWKSXZSMV-MRVPVSSYSA-N 1 2 251.308 -0.594 20 5 CBBDLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001175388518 820425067 /nfs/dbraw/zinc/42/50/67/820425067.db2.gz CKMQQOWKSXZSMV-MRVPVSSYSA-N 1 2 251.308 -0.594 20 5 CBBDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213799296 824516113 /nfs/dbraw/zinc/51/61/13/824516113.db2.gz AIAYYJYVGMHGKC-MRVPVSSYSA-N 1 2 286.313 -0.028 20 5 CBBDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213799296 824516115 /nfs/dbraw/zinc/51/61/15/824516115.db2.gz AIAYYJYVGMHGKC-MRVPVSSYSA-N 1 2 286.313 -0.028 20 5 CBBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229120709 825328440 /nfs/dbraw/zinc/32/84/40/825328440.db2.gz WILJJBMYTISFHX-ZCFIWIBFSA-O 1 2 290.271 -0.611 20 5 CBBDLO Cn1cc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001264985273 826827353 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O=[N+]([O-])CC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001333015855 887503002 /nfs/dbraw/zinc/50/30/02/887503002.db2.gz DCRANESWJYNRRY-JTQLQIEISA-N 1 2 277.346 -0.237 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1CO ZINC001454665213 914243751 /nfs/dbraw/zinc/24/37/51/914243751.db2.gz SWAVHXDDBTVLSW-JTQLQIEISA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1CO ZINC001454665213 914243764 /nfs/dbraw/zinc/24/37/64/914243764.db2.gz SWAVHXDDBTVLSW-JTQLQIEISA-N 1 2 294.311 -0.075 20 5 CBBDLO CNC(=O)[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC001459934713 914748377 /nfs/dbraw/zinc/74/83/77/914748377.db2.gz WGRFJDHRPUYRRD-JTQLQIEISA-N 1 2 297.315 -0.453 20 5 CBBDLO CNC(=O)[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC001459934713 914748393 /nfs/dbraw/zinc/74/83/93/914748393.db2.gz WGRFJDHRPUYRRD-JTQLQIEISA-N 1 2 297.315 -0.453 20 5 CBBDLO CCn1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001481229745 916775530 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O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483461 351760946 /nfs/dbraw/zinc/76/09/46/351760946.db2.gz MBTAUCORRCWMBB-PHIMTYICSA-N 1 2 254.242 -0.162 20 5 CBBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483461 351760951 /nfs/dbraw/zinc/76/09/51/351760951.db2.gz MBTAUCORRCWMBB-PHIMTYICSA-N 1 2 254.242 -0.162 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120926042 351844073 /nfs/dbraw/zinc/84/40/73/351844073.db2.gz HOZBFMHIENUTSA-NWDGAFQWSA-N 1 2 281.316 -0.194 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120926042 351844076 /nfs/dbraw/zinc/84/40/76/351844076.db2.gz HOZBFMHIENUTSA-NWDGAFQWSA-N 1 2 281.316 -0.194 20 5 CBBDLO C[N@@H+]1CCO[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120925855 351844724 /nfs/dbraw/zinc/84/47/24/351844724.db2.gz HOZBFMHIENUTSA-RYUDHWBXSA-N 1 2 281.316 -0.194 20 5 CBBDLO C[N@H+]1CCO[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120925855 351844726 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C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000157414138 522999947 /nfs/dbraw/zinc/99/99/47/522999947.db2.gz SZGJBSRJYISAET-SECBINFHSA-N 1 2 288.329 -0.090 20 5 CBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000728867836 582144835 /nfs/dbraw/zinc/14/48/35/582144835.db2.gz TVXGJAOIVMNVBQ-UHFFFAOYSA-N 1 2 295.299 -0.444 20 5 CBBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000728867836 582144836 /nfs/dbraw/zinc/14/48/36/582144836.db2.gz TVXGJAOIVMNVBQ-UHFFFAOYSA-N 1 2 295.299 -0.444 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCNC(=O)C1 ZINC000761658462 582316028 /nfs/dbraw/zinc/31/60/28/582316028.db2.gz CJCKVIOZMAWZFZ-UHFFFAOYSA-N 1 2 280.284 -0.422 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCNC(=O)C1 ZINC000761658462 582316029 /nfs/dbraw/zinc/31/60/29/582316029.db2.gz CJCKVIOZMAWZFZ-UHFFFAOYSA-N 1 2 280.284 -0.422 20 5 CBBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1CCO ZINC000767591444 582332758 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CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000839710100 583158556 /nfs/dbraw/zinc/15/85/56/583158556.db2.gz VDHAICXCPLOMBS-ZYUZMQFOSA-N 1 2 257.290 -0.513 20 5 CBBDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000839783130 583160027 /nfs/dbraw/zinc/16/00/27/583160027.db2.gz VAIMULRCHSTOJS-LMLFDSFASA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000839783130 583160030 /nfs/dbraw/zinc/16/00/30/583160030.db2.gz VAIMULRCHSTOJS-LMLFDSFASA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840474328 583165506 /nfs/dbraw/zinc/16/55/06/583165506.db2.gz GORODADRSWISEB-OPRDCNLKSA-N 1 2 257.290 -0.823 20 5 CBBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840474328 583165509 /nfs/dbraw/zinc/16/55/09/583165509.db2.gz GORODADRSWISEB-OPRDCNLKSA-N 1 2 257.290 -0.823 20 5 CBBDLO 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263.261 -0.101 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[NH2+]1 ZINC001164300370 819905966 /nfs/dbraw/zinc/90/59/66/819905966.db2.gz OPSQBTVEYIQJHV-XPUUQOCRSA-N 1 2 267.245 -0.300 20 5 CBBDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001168348832 820159539 /nfs/dbraw/zinc/15/95/39/820159539.db2.gz GZDBWEKUBYOULH-SSDOTTSWSA-N 1 2 280.244 -0.485 20 5 CBBDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168961727 820197879 /nfs/dbraw/zinc/19/78/79/820197879.db2.gz KAZMGDIZKPUDRY-KYXWUPHJSA-N 1 2 260.290 -0.056 20 5 CBBDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168983431 820199046 /nfs/dbraw/zinc/19/90/46/820199046.db2.gz KAZMGDIZKPUDRY-DOLQZWNJSA-N 1 2 260.290 -0.056 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2nccnc2[N+](=O)[O-])C[NH2+]1 ZINC001169128561 820209697 /nfs/dbraw/zinc/20/96/97/820209697.db2.gz CRSOVVJNBXGZHO-RQJHMYQMSA-N 1 2 267.245 -0.300 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(OC)ncc2[N+](=O)[O-])C[NH2+]1 ZINC001169129107 820211485 /nfs/dbraw/zinc/21/14/85/820211485.db2.gz KMGHGRSXOJXKGL-RQJHMYQMSA-N 1 2 297.271 -0.291 20 5 CBBDLO Cc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c(=O)[nH]1 ZINC001226418887 825277308 /nfs/dbraw/zinc/27/73/08/825277308.db2.gz DRNGXPQXPMDCRE-MRVPVSSYSA-O 1 2 288.299 -0.008 20 5 CBBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227071437 825296432 /nfs/dbraw/zinc/29/64/32/825296432.db2.gz YPUVPIGQJXGPPI-SSDOTTSWSA-O 1 2 296.307 -0.579 20 5 CBBDLO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371824 827160523 /nfs/dbraw/zinc/16/05/23/827160523.db2.gz WPKJZJQQRLODJY-NXEZZACHSA-N 1 2 282.304 -0.972 20 5 CBBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001326308831 884980542 /nfs/dbraw/zinc/98/05/42/884980542.db2.gz FGYAIPCRLRIQBD-QMMMGPOBSA-N 1 2 297.271 -0.705 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCn2c[nH+]cc2C1 ZINC001327709071 885459042 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Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000347371093 218210702 /nfs/dbraw/zinc/21/07/02/218210702.db2.gz IBOVYCWGYJSDEL-SECBINFHSA-N 1 2 294.315 -0.942 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267527760 190335607 /nfs/dbraw/zinc/33/56/07/190335607.db2.gz UEBGGEUIQZXYEU-UHFFFAOYSA-N 1 2 296.331 -0.286 20 5 CBBDLO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285169162 196212213 /nfs/dbraw/zinc/21/22/13/196212213.db2.gz CKTIWIVGXJYHSN-UHFFFAOYSA-N 1 2 271.277 -0.374 20 5 CBBDLO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285169162 196212214 /nfs/dbraw/zinc/21/22/14/196212214.db2.gz CKTIWIVGXJYHSN-UHFFFAOYSA-N 1 2 271.277 -0.374 20 5 CBBDLO COC(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000355239535 419861753 /nfs/dbraw/zinc/86/17/53/419861753.db2.gz LUUKNKIPDJPHBQ-UHFFFAOYSA-N 1 2 297.315 -0.418 20 5 CBBDLO CN1C[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000365837449 420068495 /nfs/dbraw/zinc/06/84/95/420068495.db2.gz 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/nfs/dbraw/zinc/15/71/22/583157122.db2.gz MPPNBZZEPRRTFV-IVZWLZJFSA-N 1 2 257.290 -0.512 20 5 CBBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839695644 583158032 /nfs/dbraw/zinc/15/80/32/583158032.db2.gz JRIXRTACSSZLDT-GMTAPVOTSA-N 1 2 299.327 -0.253 20 5 CBBDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839706214 583158177 /nfs/dbraw/zinc/15/81/77/583158177.db2.gz OIUPCQWXMFZARS-GHMZBOCLSA-N 1 2 298.343 -0.726 20 5 CBBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+]1C ZINC000893574569 584642612 /nfs/dbraw/zinc/64/26/12/584642612.db2.gz KZVUVLDPFXIIEB-HAYRHPOISA-N 1 2 286.284 -0.169 20 5 CBBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1C ZINC000893574569 584642615 /nfs/dbraw/zinc/64/26/15/584642615.db2.gz KZVUVLDPFXIIEB-HAYRHPOISA-N 1 2 286.284 -0.169 20 5 CBBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930017904 659196207 /nfs/dbraw/zinc/19/62/07/659196207.db2.gz 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ZINC000931533266 659482511 /nfs/dbraw/zinc/48/25/11/659482511.db2.gz VVBSJYLEMMCZSF-JTQLQIEISA-N 1 2 257.246 -0.343 20 5 CBBDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000931533266 659482536 /nfs/dbraw/zinc/48/25/36/659482536.db2.gz VVBSJYLEMMCZSF-JTQLQIEISA-N 1 2 257.246 -0.343 20 5 CBBDLO Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662089 799530545 /nfs/dbraw/zinc/53/05/45/799530545.db2.gz UMOZOTFFDOTXRT-VXGBXAGGSA-N 1 2 293.327 -0.367 20 5 CBBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2c[nH+]cn2C)C1 ZINC001042705426 801511434 /nfs/dbraw/zinc/51/14/34/801511434.db2.gz QCUKJWRBWUXRLA-VXGBXAGGSA-N 1 2 293.327 -0.272 20 5 CBBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCn2cccn2)C1 ZINC001042711118 801511900 /nfs/dbraw/zinc/51/19/00/801511900.db2.gz QXWFINGRKVLGPU-VXGBXAGGSA-N 1 2 293.327 -0.309 20 5 CBBDLO O=C(NCCn1cc[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC001321754265 803809295 /nfs/dbraw/zinc/80/92/95/803809295.db2.gz ZLLMCIUYOYRXLG-UHFFFAOYSA-N 1 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COC(=O)[C@@H]1C[C@H](Nc2c[n+]([O-])ccc2[N+](=O)[O-])C[NH2+]1 ZINC001164308799 819907374 /nfs/dbraw/zinc/90/73/74/819907374.db2.gz SBUQGWCQFNMAOT-YUMQZZPRSA-N 1 2 282.256 -0.456 20 5 CBBDLO CCOC(=O)[C@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964161 820197712 /nfs/dbraw/zinc/19/77/12/820197712.db2.gz RDRSGYVZTKNTFX-UTLUCORTSA-N 1 2 260.290 -0.055 20 5 CBBDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168983435 820198734 /nfs/dbraw/zinc/19/87/34/820198734.db2.gz KAZMGDIZKPUDRY-ZYUZMQFOSA-N 1 2 260.290 -0.056 20 5 CBBDLO COC(=O)[C@@H](CC(N)=O)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996564 820200082 /nfs/dbraw/zinc/20/00/82/820200082.db2.gz WDNNRUDVLKHJKP-XHNCKOQMSA-N 1 2 273.289 -0.562 20 5 CBBDLO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnon1 ZINC001264985068 826826258 /nfs/dbraw/zinc/82/62/58/826826258.db2.gz LPKMIHDDVRALCT-NXEZZACHSA-N 1 2 283.288 -0.327 20 5 CBBDLO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnon1 ZINC001264985068 826826270 /nfs/dbraw/zinc/82/62/70/826826270.db2.gz LPKMIHDDVRALCT-NXEZZACHSA-N 1 2 283.288 -0.327 20 5 CBBDLO Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001267371184 827160454 /nfs/dbraw/zinc/16/04/54/827160454.db2.gz HZKUBYMKPPJIBX-RKDXNWHRSA-N 1 2 283.288 -0.409 20 5 CBBDLO Cn1c[nH+]c(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC001275173141 828062338 /nfs/dbraw/zinc/06/23/38/828062338.db2.gz BXLRPDNLTYWPDH-UHFFFAOYSA-N 1 2 278.272 -0.116 20 5 CBBDLO O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278862542 828301089 /nfs/dbraw/zinc/30/10/89/828301089.db2.gz AICMBSMASBBMRX-RKDXNWHRSA-N 1 2 275.280 -0.826 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC001328657018 885761007 /nfs/dbraw/zinc/76/10/07/885761007.db2.gz LQNULQKPGNDIKI-ZETCQYMHSA-N 1 2 276.256 -0.121 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC001328657016 885762987 /nfs/dbraw/zinc/76/29/87/885762987.db2.gz LQNULQKPGNDIKI-SSDOTTSWSA-N 1 2 276.256 -0.121 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001334858476 888344546 /nfs/dbraw/zinc/34/45/46/888344546.db2.gz MZZLQCAUXJJETK-ZETCQYMHSA-N 1 2 277.244 -0.876 20 5 CBBDLO CCn1c(C[N+](=O)[O-])nnc1N(C)CC[NH+]1CCOCC1 ZINC001342652824 889809435 /nfs/dbraw/zinc/80/94/35/889809435.db2.gz ZOZQOFGVAZVZFD-UHFFFAOYSA-N 1 2 298.347 -0.157 20 5 CBBDLO NC(=O)C[C@H]1COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001460252854 914779587 /nfs/dbraw/zinc/77/95/87/914779587.db2.gz NVVSSNFQEUIDAW-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO NC(=O)C[C@H]1COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001460252854 914779601 /nfs/dbraw/zinc/77/96/01/914779601.db2.gz NVVSSNFQEUIDAW-VIFPVBQESA-N 1 2 283.288 -0.633 20 5 CBBDLO CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481228729 916775755 /nfs/dbraw/zinc/77/57/55/916775755.db2.gz DUIYANMKHMONLE-NXEZZACHSA-N 1 2 296.331 -0.489 20 5 CBBDLO CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925019 917338815 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COC[C@H](C(N)=O)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339354757 215114334 /nfs/dbraw/zinc/11/43/34/215114334.db2.gz AWYYWRLZKMFAJR-MRVPVSSYSA-N 1 2 271.277 -0.777 20 5 CBBDLO COC[C@H](C(N)=O)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000339354757 215114336 /nfs/dbraw/zinc/11/43/36/215114336.db2.gz AWYYWRLZKMFAJR-MRVPVSSYSA-N 1 2 271.277 -0.777 20 5 CBBDLO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000052610231 351519670 /nfs/dbraw/zinc/51/96/70/351519670.db2.gz BZDFTBCTLIPFDD-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCOCC1 ZINC000067285695 351606582 /nfs/dbraw/zinc/60/65/82/351606582.db2.gz YHUMTGCGOJQGJG-UHFFFAOYSA-N 1 2 297.315 -0.370 20 5 CBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1c[nH+]c[nH]1 ZINC000088753543 351727012 /nfs/dbraw/zinc/72/70/12/351727012.db2.gz CKLNOCUDYKHDJI-UHFFFAOYSA-N 1 2 250.218 -0.169 20 5 CBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1c[nH]c[nH+]1 ZINC000088753543 351727015 /nfs/dbraw/zinc/72/70/15/351727015.db2.gz CKLNOCUDYKHDJI-UHFFFAOYSA-N 1 2 250.218 -0.169 20 5 CBBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090517236 351741409 /nfs/dbraw/zinc/74/14/09/351741409.db2.gz QJTWGAXGNYMLHS-UHFFFAOYSA-N 1 2 254.246 -0.826 20 5 CBBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090517236 351741412 /nfs/dbraw/zinc/74/14/12/351741412.db2.gz QJTWGAXGNYMLHS-UHFFFAOYSA-N 1 2 254.246 -0.826 20 5 CBBDLO CNC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000184063093 352111274 /nfs/dbraw/zinc/11/12/74/352111274.db2.gz FUONVQOOUGCMQM-VIFPVBQESA-N 1 2 283.288 -0.762 20 5 CBBDLO CNC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000184063093 352111275 /nfs/dbraw/zinc/11/12/75/352111275.db2.gz FUONVQOOUGCMQM-VIFPVBQESA-N 1 2 283.288 -0.762 20 5 CBBDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247201865 352343299 /nfs/dbraw/zinc/34/32/99/352343299.db2.gz CCDKOQRGAVWUJF-MNOVXSKESA-N 1 2 297.315 -0.637 20 5 CBBDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247201865 352343302 /nfs/dbraw/zinc/34/33/02/352343302.db2.gz CCDKOQRGAVWUJF-MNOVXSKESA-N 1 2 297.315 -0.637 20 5 CBBDLO NC(=O)[C@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271542125 191201498 /nfs/dbraw/zinc/20/14/98/191201498.db2.gz KFHWVKSSAGUPBZ-MRVPVSSYSA-N 1 2 285.329 -0.306 20 5 CBBDLO NC(=O)[C@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271542125 191201501 /nfs/dbraw/zinc/20/15/01/191201501.db2.gz KFHWVKSSAGUPBZ-MRVPVSSYSA-N 1 2 285.329 -0.306 20 5 CBBDLO C[N@@H+]1CCO[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702909 352678593 /nfs/dbraw/zinc/67/85/93/352678593.db2.gz WHTPWJMSXYWTNU-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCO[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702909 352678595 /nfs/dbraw/zinc/67/85/95/352678595.db2.gz WHTPWJMSXYWTNU-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305129917 352748428 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Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000357933572 353615500 /nfs/dbraw/zinc/61/55/00/353615500.db2.gz JWOYHQQHQMRVDV-SECBINFHSA-N 1 2 294.315 -0.942 20 5 CBBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364540754 353672265 /nfs/dbraw/zinc/67/22/65/353672265.db2.gz DDYWNYUFUSAWDY-MXWKQRLJSA-N 1 2 269.301 -0.369 20 5 CBBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364540754 353672267 /nfs/dbraw/zinc/67/22/67/353672267.db2.gz DDYWNYUFUSAWDY-MXWKQRLJSA-N 1 2 269.301 -0.369 20 5 CBBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408074759 353844814 /nfs/dbraw/zinc/84/48/14/353844814.db2.gz VUZIHHZUEVYSIU-SECBINFHSA-N 1 2 295.299 -0.135 20 5 CBBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000408032542 137745429 /nfs/dbraw/zinc/74/54/29/137745429.db2.gz YJVXNWYPWZAJPV-SECBINFHSA-N 1 2 295.299 -0.135 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)C(F)F)c1 ZINC000578651922 354951355 /nfs/dbraw/zinc/95/13/55/354951355.db2.gz PSGNGLYKWNIPGG-DTWKUNHWSA-N 1 2 294.258 -0.242 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC000590599683 355085820 /nfs/dbraw/zinc/08/58/20/355085820.db2.gz KNALSAKRHSPOBJ-LBPRGKRZSA-N 1 2 292.299 -0.136 20 5 CBBDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751333 355260277 /nfs/dbraw/zinc/26/02/77/355260277.db2.gz UDWNWIKWDNQLJQ-QMMMGPOBSA-N 1 2 286.313 -0.028 20 5 CBBDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751333 355260280 /nfs/dbraw/zinc/26/02/80/355260280.db2.gz UDWNWIKWDNQLJQ-QMMMGPOBSA-N 1 2 286.313 -0.028 20 5 CBBDLO C[N@@H+]1CCOC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159351 355467368 /nfs/dbraw/zinc/46/73/68/355467368.db2.gz AQFYRBZYAVKHDH-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCOC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159351 355467372 /nfs/dbraw/zinc/46/73/72/355467372.db2.gz AQFYRBZYAVKHDH-QMMMGPOBSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600422094 355544286 /nfs/dbraw/zinc/54/42/86/355544286.db2.gz QZNCQWCSCYZPRA-MRVPVSSYSA-N 1 2 268.273 -0.017 20 5 CBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600422094 355544290 /nfs/dbraw/zinc/54/42/90/355544290.db2.gz QZNCQWCSCYZPRA-MRVPVSSYSA-N 1 2 268.273 -0.017 20 5 CBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600421901 355544315 /nfs/dbraw/zinc/54/43/15/355544315.db2.gz QAIDWNNVQHWLKF-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600421901 355544318 /nfs/dbraw/zinc/54/43/18/355544318.db2.gz QAIDWNNVQHWLKF-LLVKDONJSA-N 1 2 297.315 -0.372 20 5 CBBDLO Cn1cc(C[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000602680502 355666788 /nfs/dbraw/zinc/66/67/88/355666788.db2.gz UKTDCDBPLMQUTB-VIFPVBQESA-N 1 2 256.262 -0.479 20 5 CBBDLO Cn1cc(C[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000602680502 355666789 /nfs/dbraw/zinc/66/67/89/355666789.db2.gz UKTDCDBPLMQUTB-VIFPVBQESA-N 1 2 256.262 -0.479 20 5 CBBDLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614728 355783177 /nfs/dbraw/zinc/78/31/77/355783177.db2.gz MXVTVWPSUXALDZ-AOOOYVTPSA-N 1 2 295.295 -0.039 20 5 CBBDLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614728 355783181 /nfs/dbraw/zinc/78/31/81/355783181.db2.gz MXVTVWPSUXALDZ-AOOOYVTPSA-N 1 2 295.295 -0.039 20 5 CBBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1)OCCO2 ZINC000611272151 355800049 /nfs/dbraw/zinc/80/00/49/355800049.db2.gz DIOSLGJMUFVLIB-PHIMTYICSA-N 1 2 296.279 -0.097 20 5 CBBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1)OCCO2 ZINC000611272151 355800054 /nfs/dbraw/zinc/80/00/54/355800054.db2.gz DIOSLGJMUFVLIB-PHIMTYICSA-N 1 2 296.279 -0.097 20 5 CBBDLO C[C@](O)(CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000302155842 201370459 /nfs/dbraw/zinc/37/04/59/201370459.db2.gz MQWGUULQSYPCBX-LBPRGKRZSA-N 1 2 297.315 -0.120 20 5 CBBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1c[nH]nc1[N+](=O)[O-] ZINC000548958890 283943351 /nfs/dbraw/zinc/94/33/51/283943351.db2.gz DRBPIBITLBATPE-QMMMGPOBSA-N 1 2 280.288 -0.953 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000331763717 204137070 /nfs/dbraw/zinc/13/70/70/204137070.db2.gz JUBWXJJLLBWRPD-NXEZZACHSA-N 1 2 295.299 -0.667 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000331763717 204137072 /nfs/dbraw/zinc/13/70/72/204137072.db2.gz JUBWXJJLLBWRPD-NXEZZACHSA-N 1 2 295.299 -0.667 20 5 CBBDLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000236526055 189833785 /nfs/dbraw/zinc/83/37/85/189833785.db2.gz ZMDPBWIKYNVJNG-GHMZBOCLSA-N 1 2 281.268 -0.429 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408384828 373615993 /nfs/dbraw/zinc/61/59/93/373615993.db2.gz IMASQZGHHWAXJK-ONGXEEELSA-N 1 2 281.316 -0.157 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408384828 373616002 /nfs/dbraw/zinc/61/60/02/373616002.db2.gz IMASQZGHHWAXJK-ONGXEEELSA-N 1 2 281.316 -0.157 20 5 CBBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](CCO)CC1 ZINC000532388422 374169025 /nfs/dbraw/zinc/16/90/25/374169025.db2.gz QOPRXUVLXPQBPB-UHFFFAOYSA-N 1 2 280.284 -0.260 20 5 CBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000356163649 248204235 /nfs/dbraw/zinc/20/42/35/248204235.db2.gz HALJJDFTWKTGEK-UHFFFAOYSA-N 1 2 264.245 -0.045 20 5 CBBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356475977 248255459 /nfs/dbraw/zinc/25/54/59/248255459.db2.gz JFORMEQYMUKCJY-UHFFFAOYSA-N 1 2 297.315 -0.268 20 5 CBBDLO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CCO ZINC000428144794 208080352 /nfs/dbraw/zinc/08/03/52/208080352.db2.gz JNSJOGPDXGGDKO-VIFPVBQESA-N 1 2 297.315 -0.533 20 5 CBBDLO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CCO ZINC000428144794 208080357 /nfs/dbraw/zinc/08/03/57/208080357.db2.gz JNSJOGPDXGGDKO-VIFPVBQESA-N 1 2 297.315 -0.533 20 5 CBBDLO O=C(NCC[N@@H+]1CCCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000438689057 208312779 /nfs/dbraw/zinc/31/27/79/208312779.db2.gz YGQGRAHRBKQUDH-UHFFFAOYSA-N 1 2 283.288 -0.230 20 5 CBBDLO O=C(NCC[N@H+]1CCCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000438689057 208312785 /nfs/dbraw/zinc/31/27/85/208312785.db2.gz YGQGRAHRBKQUDH-UHFFFAOYSA-N 1 2 283.288 -0.230 20 5 CBBDLO C[C@H](CO)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)O ZINC000443343111 208386237 /nfs/dbraw/zinc/38/62/37/208386237.db2.gz GAFQRMPZXFSYJR-BDAKNGLRSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@H](CO)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)O ZINC000443343111 208386241 /nfs/dbraw/zinc/38/62/41/208386241.db2.gz GAFQRMPZXFSYJR-BDAKNGLRSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO ZINC000443343114 208387615 /nfs/dbraw/zinc/38/76/15/208387615.db2.gz GAFQRMPZXFSYJR-DTWKUNHWSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CO ZINC000443343114 208387619 /nfs/dbraw/zinc/38/76/19/208387619.db2.gz GAFQRMPZXFSYJR-DTWKUNHWSA-N 1 2 272.305 -0.108 20 5 CBBDLO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000046268420 175395020 /nfs/dbraw/zinc/39/50/20/175395020.db2.gz XMJFGXYDEXKHNY-JTQLQIEISA-N 1 2 297.315 -0.372 20 5 CBBDLO Nc1ccc(NCCC[N@@H+]2CCNC(=O)C2)nc1[N+](=O)[O-] ZINC000596173137 420487828 /nfs/dbraw/zinc/48/78/28/420487828.db2.gz QVCJBQUVOCMNDS-UHFFFAOYSA-N 1 2 294.315 -0.194 20 5 CBBDLO Nc1ccc(NCCC[N@H+]2CCNC(=O)C2)nc1[N+](=O)[O-] ZINC000596173137 420487830 /nfs/dbraw/zinc/48/78/30/420487830.db2.gz QVCJBQUVOCMNDS-UHFFFAOYSA-N 1 2 294.315 -0.194 20 5 CBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000728869711 582144843 /nfs/dbraw/zinc/14/48/43/582144843.db2.gz XSNOVLLMALEKKZ-UHFFFAOYSA-N 1 2 296.283 -0.179 20 5 CBBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000728869711 582144844 /nfs/dbraw/zinc/14/48/44/582144844.db2.gz XSNOVLLMALEKKZ-UHFFFAOYSA-N 1 2 296.283 -0.179 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241218 582426500 /nfs/dbraw/zinc/42/65/00/582426500.db2.gz KOKYMHQVSYNSFZ-QMMMGPOBSA-N 1 2 287.251 -0.227 20 5 CBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241218 582426501 /nfs/dbraw/zinc/42/65/01/582426501.db2.gz KOKYMHQVSYNSFZ-QMMMGPOBSA-N 1 2 287.251 -0.227 20 5 CBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839531819 583156452 /nfs/dbraw/zinc/15/64/52/583156452.db2.gz OOXDHCVDKIZKEY-OPRDCNLKSA-N 1 2 257.290 -0.512 20 5 CBBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000839658988 583157495 /nfs/dbraw/zinc/15/74/95/583157495.db2.gz WCBZAJMQVTZUJH-GWOFURMSSA-N 1 2 271.317 -0.123 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000839710091 583158458 /nfs/dbraw/zinc/15/84/58/583158458.db2.gz VDHAICXCPLOMBS-JLIMGVALSA-N 1 2 257.290 -0.513 20 5 CBBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000839710091 583158460 /nfs/dbraw/zinc/15/84/60/583158460.db2.gz VDHAICXCPLOMBS-JLIMGVALSA-N 1 2 257.290 -0.513 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747858 583159279 /nfs/dbraw/zinc/15/92/79/583159279.db2.gz UVGXXFIPJWFNIE-HBNTYKKESA-N 1 2 271.317 -0.169 20 5 CBBDLO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC[NH+](C)C ZINC000839774083 583159727 /nfs/dbraw/zinc/15/97/27/583159727.db2.gz NKWREMTZTWXSEI-GHMZBOCLSA-N 1 2 272.349 -0.349 20 5 CBBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840522193 583165843 /nfs/dbraw/zinc/16/58/43/583165843.db2.gz JMIOJMSHDLKJNM-NXEZZACHSA-N 1 2 271.317 -0.121 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000854589853 583609449 /nfs/dbraw/zinc/60/94/49/583609449.db2.gz FEAWHZDZIBFDLJ-GHMZBOCLSA-N 1 2 269.301 -0.558 20 5 CBBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCO)C1 ZINC000950055625 614652008 /nfs/dbraw/zinc/65/20/08/614652008.db2.gz HLAMKLHNJQHANT-NXEZZACHSA-N 1 2 257.290 -0.823 20 5 CBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])cnn1C ZINC000892856907 656273313 /nfs/dbraw/zinc/27/33/13/656273313.db2.gz PBMOXJXRWDYONT-JTQLQIEISA-N 1 2 299.331 -0.542 20 5 CBBDLO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001020140093 658017009 /nfs/dbraw/zinc/01/70/09/658017009.db2.gz YGYANWGICFLMTD-ZYUZMQFOSA-N 1 2 294.315 -0.485 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000687592648 790655415 /nfs/dbraw/zinc/65/54/15/790655415.db2.gz BCMQBQZHYRVBEJ-JTQLQIEISA-N 1 2 282.300 -0.318 20 5 CBBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000687592648 790655423 /nfs/dbraw/zinc/65/54/23/790655423.db2.gz BCMQBQZHYRVBEJ-JTQLQIEISA-N 1 2 282.300 -0.318 20 5 CBBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064100 790986637 /nfs/dbraw/zinc/98/66/37/790986637.db2.gz WIBNIKPRJHTQCI-LMLFDSFASA-N 1 2 291.311 -0.121 20 5 CBBDLO CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001053253217 802244817 /nfs/dbraw/zinc/24/48/17/802244817.db2.gz ANOAOXLFLCEHFR-GHMZBOCLSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042679 815258679 /nfs/dbraw/zinc/25/86/79/815258679.db2.gz DTHOUMCTKOMRHT-LHLIQPBNSA-N 1 2 269.261 -0.289 20 5 CBBDLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042679 815258685 /nfs/dbraw/zinc/25/86/85/815258685.db2.gz DTHOUMCTKOMRHT-LHLIQPBNSA-N 1 2 269.261 -0.289 20 5 CBBDLO C[N@@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155194519 815268667 /nfs/dbraw/zinc/26/86/67/815268667.db2.gz RQPZGCGGSQQQIM-JTQLQIEISA-N 1 2 268.273 -0.029 20 5 CBBDLO C[N@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155194519 815268671 /nfs/dbraw/zinc/26/86/71/815268671.db2.gz RQPZGCGGSQQQIM-JTQLQIEISA-N 1 2 268.273 -0.029 20 5 CBBDLO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931832 813694649 /nfs/dbraw/zinc/69/46/49/813694649.db2.gz AZIDSWRUQHZAKN-RKDXNWHRSA-N 1 2 282.304 -0.831 20 5 CBBDLO O=C(NCC[NH2+]Cc1ccon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932269 813695257 /nfs/dbraw/zinc/69/52/57/813695257.db2.gz PJRLIGGGPHKXOL-RKDXNWHRSA-N 1 2 254.246 -0.454 20 5 CBBDLO CC(C)n1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932170 813695473 /nfs/dbraw/zinc/69/54/73/813695473.db2.gz KFEAHYHRAFKIMN-NXEZZACHSA-N 1 2 296.331 -0.270 20 5 CBBDLO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001126931885 813695578 /nfs/dbraw/zinc/69/55/78/813695578.db2.gz DEJHLNJCNRINJH-HTQZYQBOSA-N 1 2 285.329 -0.282 20 5 CBBDLO CC(C)n1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001126936859 813697339 /nfs/dbraw/zinc/69/73/39/813697339.db2.gz VDKUSJLMVBCCTM-GHMZBOCLSA-N 1 2 296.331 -0.270 20 5 CBBDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001136761559 814572087 /nfs/dbraw/zinc/57/20/87/814572087.db2.gz PWKXCONCGUXNDB-OPRDCNLKSA-N 1 2 256.306 -0.986 20 5 CBBDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001136761559 814572091 /nfs/dbraw/zinc/57/20/91/814572091.db2.gz PWKXCONCGUXNDB-OPRDCNLKSA-N 1 2 256.306 -0.986 20 5 CBBDLO C[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001141531473 814660889 /nfs/dbraw/zinc/66/08/89/814660889.db2.gz CHRYQYAPMHFVII-VXGBXAGGSA-N 1 2 284.360 -0.205 20 5 CBBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001161635685 815776181 /nfs/dbraw/zinc/77/61/81/815776181.db2.gz XSSVNOUXJADZPS-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001161635685 815776185 /nfs/dbraw/zinc/77/61/85/815776185.db2.gz XSSVNOUXJADZPS-QMMMGPOBSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162687974 815840492 /nfs/dbraw/zinc/84/04/92/815840492.db2.gz GZVAEJQTFRGDGZ-SECBINFHSA-N 1 2 268.273 -0.029 20 5 CBBDLO C[N@H+]1CCO[C@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162687974 815840500 /nfs/dbraw/zinc/84/05/00/815840500.db2.gz GZVAEJQTFRGDGZ-SECBINFHSA-N 1 2 268.273 -0.029 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](CO)C1 ZINC001301605138 816749715 /nfs/dbraw/zinc/74/97/15/816749715.db2.gz CNJLAZIMKYWLML-ZETCQYMHSA-N 1 2 269.261 -0.934 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](CO)C1 ZINC001301605138 816749722 /nfs/dbraw/zinc/74/97/22/816749722.db2.gz CNJLAZIMKYWLML-ZETCQYMHSA-N 1 2 269.261 -0.934 20 5 CBBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001306830804 816793056 /nfs/dbraw/zinc/79/30/56/816793056.db2.gz GYVXXTSKLIOXCS-IWSPIJDZSA-N 1 2 282.256 -0.794 20 5 CBBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168761509 820179755 /nfs/dbraw/zinc/17/97/55/820179755.db2.gz RRBRXCLCGMLFFF-UHFFFAOYSA-N 1 2 275.228 -0.013 20 5 CBBDLO CC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283816481 828552361 /nfs/dbraw/zinc/55/23/61/828552361.db2.gz MZYOXWOYORHJLG-VXGBXAGGSA-N 1 2 298.343 -0.678 20 5 CBBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(O)cc(=O)[nH]1 ZINC001228387657 825316807 /nfs/dbraw/zinc/31/68/07/825316807.db2.gz CXWUSROJKOBMLO-SSDOTTSWSA-O 1 2 272.281 -0.750 20 5 CBBDLO COc1cc(=O)[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228919702 825324992 /nfs/dbraw/zinc/32/49/92/825324992.db2.gz ZKIMDOSCVOMKNL-MRVPVSSYSA-O 1 2 286.308 -0.447 20 5 CBBDLO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001277054675 828173914 /nfs/dbraw/zinc/17/39/14/828173914.db2.gz HZXBTQOEZVOEGS-NXEZZACHSA-N 1 2 294.315 -0.781 20 5 CBBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001326308830 884979486 /nfs/dbraw/zinc/97/94/86/884979486.db2.gz FGYAIPCRLRIQBD-MRVPVSSYSA-N 1 2 297.271 -0.705 20 5 CBBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001329490502 886091962 /nfs/dbraw/zinc/09/19/62/886091962.db2.gz LUDCUJVNCZJIRF-MRVPVSSYSA-N 1 2 297.271 -0.705 20 5 CBBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[N@H+](C)CCO1 ZINC001341460154 889600730 /nfs/dbraw/zinc/60/07/30/889600730.db2.gz LRGNAWMWZPVVMB-WCBMZHEXSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC001341460154 889600732 /nfs/dbraw/zinc/60/07/32/889600732.db2.gz LRGNAWMWZPVVMB-WCBMZHEXSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1CO ZINC001454665215 914243022 /nfs/dbraw/zinc/24/30/22/914243022.db2.gz SWAVHXDDBTVLSW-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1CO ZINC001454665215 914243037 /nfs/dbraw/zinc/24/30/37/914243037.db2.gz SWAVHXDDBTVLSW-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO CNC(=O)[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC001459934761 914750089 /nfs/dbraw/zinc/75/00/89/914750089.db2.gz WGRFJDHRPUYRRD-SNVBAGLBSA-N 1 2 297.315 -0.453 20 5 CBBDLO CNC(=O)[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC001459934761 914750112 /nfs/dbraw/zinc/75/01/12/914750112.db2.gz WGRFJDHRPUYRRD-SNVBAGLBSA-N 1 2 297.315 -0.453 20 5 CBBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)CO)CC1 ZINC001473528890 915827054 /nfs/dbraw/zinc/82/70/54/915827054.db2.gz JOUWZFUHAQWJLQ-SNVBAGLBSA-N 1 2 282.300 -0.535 20 5 CBBDLO CCOC(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075677961 351670049 /nfs/dbraw/zinc/67/00/49/351670049.db2.gz KBZOXGMSSRENSW-SNVBAGLBSA-N 1 2 286.288 -0.353 20 5 CBBDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075677961 351670054 /nfs/dbraw/zinc/67/00/54/351670054.db2.gz KBZOXGMSSRENSW-SNVBAGLBSA-N 1 2 286.288 -0.353 20 5 CBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136031929 351918941 /nfs/dbraw/zinc/91/89/41/351918941.db2.gz MZPQQKVBKJDMKG-QMMMGPOBSA-N 1 2 283.288 -0.232 20 5 CBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1[nH]cc[nH+]1 ZINC000135480408 351914887 /nfs/dbraw/zinc/91/48/87/351914887.db2.gz SCDXRCFMLBDTIJ-UHFFFAOYSA-N 1 2 264.245 -0.127 20 5 CBBDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173777956 352040827 /nfs/dbraw/zinc/04/08/27/352040827.db2.gz CCDKOQRGAVWUJF-WDEREUQCSA-N 1 2 297.315 -0.637 20 5 CBBDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173777956 352040830 /nfs/dbraw/zinc/04/08/30/352040830.db2.gz CCDKOQRGAVWUJF-WDEREUQCSA-N 1 2 297.315 -0.637 20 5 CBBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000186816954 352132447 /nfs/dbraw/zinc/13/24/47/352132447.db2.gz MQQXNAATOOPNHF-MRVPVSSYSA-N 1 2 283.288 -0.544 20 5 CBBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186991869 352134921 /nfs/dbraw/zinc/13/49/21/352134921.db2.gz IZLRNPBRRGMSDE-JTQLQIEISA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186991869 352134924 /nfs/dbraw/zinc/13/49/24/352134924.db2.gz IZLRNPBRRGMSDE-JTQLQIEISA-N 1 2 294.311 -0.081 20 5 CBBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](CO)O1 ZINC000249504323 352366605 /nfs/dbraw/zinc/36/66/05/352366605.db2.gz YBLLSBAKEAUGCJ-UWVGGRQHSA-N 1 2 270.289 -0.127 20 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/nfs/dbraw/zinc/08/33/62/353083362.db2.gz KNJNVDNXIVYIAL-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOCCO ZINC000337443335 353083365 /nfs/dbraw/zinc/08/33/65/353083365.db2.gz KNJNVDNXIVYIAL-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158666771 188388396 /nfs/dbraw/zinc/38/83/96/188388396.db2.gz QLKIDKLCHYQBHB-IUCAKERBSA-N 1 2 284.272 -0.601 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158666771 188388398 /nfs/dbraw/zinc/38/83/98/188388398.db2.gz QLKIDKLCHYQBHB-IUCAKERBSA-N 1 2 284.272 -0.601 20 5 CBBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000354206896 353548558 /nfs/dbraw/zinc/54/85/58/353548558.db2.gz KUVSWKUFLIFMFB-MRVPVSSYSA-N 1 2 280.288 -0.953 20 5 CBBDLO COCC[N@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355551768 353594458 /nfs/dbraw/zinc/59/44/58/353594458.db2.gz ZBXVQKRTBBANTO-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO COCC[N@@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355551768 353594463 /nfs/dbraw/zinc/59/44/63/353594463.db2.gz ZBXVQKRTBBANTO-UHFFFAOYSA-N 1 2 258.278 -0.231 20 5 CBBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCn1cc[nH+]c1 ZINC000354235808 353550603 /nfs/dbraw/zinc/55/06/03/353550603.db2.gz MFIOTQXUAVWBLU-UHFFFAOYSA-N 1 2 291.267 -0.231 20 5 CBBDLO Nc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC000357844384 353609882 /nfs/dbraw/zinc/60/98/82/353609882.db2.gz SOENVELDUVWKIA-UHFFFAOYSA-N 1 2 261.245 -0.361 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000357933573 353615530 /nfs/dbraw/zinc/61/55/30/353615530.db2.gz JWOYHQQHQMRVDV-VIFPVBQESA-N 1 2 294.315 -0.942 20 5 CBBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000375065900 353752604 /nfs/dbraw/zinc/75/26/04/353752604.db2.gz QQFDMLLNKLJNLH-UTLUCORTSA-N 1 2 279.300 -0.442 20 5 CBBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000376189392 353772627 /nfs/dbraw/zinc/77/26/27/353772627.db2.gz SMSGCLMWHYFIJJ-KXNHARMFSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000376189393 353772744 /nfs/dbraw/zinc/77/27/44/353772744.db2.gz SMSGCLMWHYFIJJ-NOOOWODRSA-N 1 2 283.328 -0.027 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]21 ZINC000377962106 283009295 /nfs/dbraw/zinc/00/92/95/283009295.db2.gz CNXOEUFAWXDNMJ-AATLWQCWSA-N 1 2 255.274 -0.807 20 5 CBBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]21 ZINC000377962106 283009297 /nfs/dbraw/zinc/00/92/97/283009297.db2.gz CNXOEUFAWXDNMJ-AATLWQCWSA-N 1 2 255.274 -0.807 20 5 CBBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000533555574 354593547 /nfs/dbraw/zinc/59/35/47/354593547.db2.gz HDIJMKQCQIBGSG-UHFFFAOYSA-N 1 2 286.313 -0.026 20 5 CBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccn[nH]2)c1 ZINC000566107673 354752533 /nfs/dbraw/zinc/75/25/33/354752533.db2.gz PLYVDKUPPRNMNY-SNVBAGLBSA-N 1 2 266.261 -0.335 20 5 CBBDLO C[NH+](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744788 355259928 /nfs/dbraw/zinc/25/99/28/355259928.db2.gz PPFVNUHNLSWLLI-UHFFFAOYSA-N 1 2 274.302 -0.170 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)C[NH3+])n1 ZINC000599099814 355464210 /nfs/dbraw/zinc/46/42/10/355464210.db2.gz DBCTWZYRVFPBAX-UHFFFAOYSA-N 1 2 299.259 -0.799 20 5 CBBDLO C[N@@H+]1CCOC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159346 355467687 /nfs/dbraw/zinc/46/76/87/355467687.db2.gz AQFYRBZYAVKHDH-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCOC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599159346 355467691 /nfs/dbraw/zinc/46/76/91/355467691.db2.gz AQFYRBZYAVKHDH-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)n1 ZINC000599218256 355473125 /nfs/dbraw/zinc/47/31/25/355473125.db2.gz OJZCCKATQLTVRM-SSDOTTSWSA-N 1 2 289.317 -0.689 20 5 CBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)n1 ZINC000599218256 355473130 /nfs/dbraw/zinc/47/31/30/355473130.db2.gz OJZCCKATQLTVRM-SSDOTTSWSA-N 1 2 289.317 -0.689 20 5 CBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600424513 355544350 /nfs/dbraw/zinc/54/43/50/355544350.db2.gz KCPRUVSWTKQLNL-VIFPVBQESA-N 1 2 268.273 -0.017 20 5 CBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000600424513 355544355 /nfs/dbraw/zinc/54/43/55/355544355.db2.gz KCPRUVSWTKQLNL-VIFPVBQESA-N 1 2 268.273 -0.017 20 5 CBBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@H](O)[C@@H](O)C1)OCCO2 ZINC000600189246 355528817 /nfs/dbraw/zinc/52/88/17/355528817.db2.gz DIOSLGJMUFVLIB-QWRGUYRKSA-N 1 2 296.279 -0.097 20 5 CBBDLO Cn1cc(C[N@@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000602680501 355666741 /nfs/dbraw/zinc/66/67/41/355666741.db2.gz UKTDCDBPLMQUTB-SECBINFHSA-N 1 2 256.262 -0.479 20 5 CBBDLO Cn1cc(C[N@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000602680501 355666742 /nfs/dbraw/zinc/66/67/42/355666742.db2.gz UKTDCDBPLMQUTB-SECBINFHSA-N 1 2 256.262 -0.479 20 5 CBBDLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602680414 355666753 /nfs/dbraw/zinc/66/67/53/355666753.db2.gz DRKMPVCEIPIXFE-RKDXNWHRSA-N 1 2 256.262 -0.480 20 5 CBBDLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602680414 355666754 /nfs/dbraw/zinc/66/67/54/355666754.db2.gz DRKMPVCEIPIXFE-RKDXNWHRSA-N 1 2 256.262 -0.480 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000611100910 355793482 /nfs/dbraw/zinc/79/34/82/355793482.db2.gz QNPDIKMIADGXAU-UHFFFAOYSA-N 1 2 282.304 -0.438 20 5 CBBDLO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+]1CCNC(=O)C1 ZINC000611100910 355793485 /nfs/dbraw/zinc/79/34/85/355793485.db2.gz QNPDIKMIADGXAU-UHFFFAOYSA-N 1 2 282.304 -0.438 20 5 CBBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000619788862 356227705 /nfs/dbraw/zinc/22/77/05/356227705.db2.gz NKJXNRUODUKOCZ-VIFPVBQESA-N 1 2 295.299 -0.135 20 5 CBBDLO C[N@@H+]1CCO[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000331755627 204128169 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20 5 CBBDLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839620287 583156959 /nfs/dbraw/zinc/15/69/59/583156959.db2.gz KEHPVSSMXJHXPP-NXEZZACHSA-N 1 2 271.317 -0.121 20 5 CBBDLO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839662153 583157341 /nfs/dbraw/zinc/15/73/41/583157341.db2.gz VSWPFBLMUNIKSQ-OPRDCNLKSA-N 1 2 257.290 -0.823 20 5 CBBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000840424861 583164948 /nfs/dbraw/zinc/16/49/48/583164948.db2.gz FGGHTEINJIJZNI-LNFKQOIKSA-N 1 2 271.317 -0.435 20 5 CBBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000840424861 583164949 /nfs/dbraw/zinc/16/49/49/583164949.db2.gz FGGHTEINJIJZNI-LNFKQOIKSA-N 1 2 271.317 -0.435 20 5 CBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727734 583617512 /nfs/dbraw/zinc/61/75/12/583617512.db2.gz BMGSVOONVGHNKA-IJLUTSLNSA-N 1 2 283.328 -0.025 20 5 CBBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857942553 583685387 /nfs/dbraw/zinc/68/53/87/583685387.db2.gz XOMQDDROJOOKLK-FXBDTBDDSA-N 1 2 250.258 -0.021 20 5 CBBDLO Cc1noc(CN2CC[N@@H+](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000931400146 659450561 /nfs/dbraw/zinc/45/05/61/659450561.db2.gz LGFDQIAEIXHQJC-VIFPVBQESA-N 1 2 270.289 0.000 20 5 CBBDLO Cc1noc(CN2CC[N@H+](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000931400146 659450568 /nfs/dbraw/zinc/45/05/68/659450568.db2.gz LGFDQIAEIXHQJC-VIFPVBQESA-N 1 2 270.289 0.000 20 5 CBBDLO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544106 657767464 /nfs/dbraw/zinc/76/74/64/657767464.db2.gz KXSYGOMJUDFXGL-WRWGMCAJSA-N 1 2 283.328 -0.027 20 5 CBBDLO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544106 657767470 /nfs/dbraw/zinc/76/74/70/657767470.db2.gz KXSYGOMJUDFXGL-WRWGMCAJSA-N 1 2 283.328 -0.027 20 5 CBBDLO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138918 658016916 /nfs/dbraw/zinc/01/69/16/658016916.db2.gz IAVLKOIYBNTMGM-TURQNECASA-N 1 2 295.299 -0.220 20 5 CBBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928646338 659056899 /nfs/dbraw/zinc/05/68/99/659056899.db2.gz JWOQEGDVBGHJIE-HBNTYKKESA-N 1 2 271.317 -0.121 20 5 CBBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064149 790986599 /nfs/dbraw/zinc/98/65/99/790986599.db2.gz YJPZFHIOIMFWMV-BZNPZCIMSA-N 1 2 297.340 -0.060 20 5 CBBDLO O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775459 798975637 /nfs/dbraw/zinc/97/56/37/798975637.db2.gz CBMJBRNFVHXNDM-SPFKKGSWSA-N 1 2 257.265 -0.333 20 5 CBBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775459 798975641 /nfs/dbraw/zinc/97/56/41/798975641.db2.gz CBMJBRNFVHXNDM-SPFKKGSWSA-N 1 2 257.265 -0.333 20 5 CBBDLO Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030292790 799291864 /nfs/dbraw/zinc/29/18/64/799291864.db2.gz VWGXEOZHCQLHPG-VXGBXAGGSA-N 1 2 293.327 -0.572 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001149360262 814985381 /nfs/dbraw/zinc/98/53/81/814985381.db2.gz XCGFHDWDRSNTOR-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001149360262 814985386 /nfs/dbraw/zinc/98/53/86/814985386.db2.gz XCGFHDWDRSNTOR-QMMMGPOBSA-N 1 2 283.288 -0.923 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1CO ZINC001151358604 815073009 /nfs/dbraw/zinc/07/30/09/815073009.db2.gz HYDHPJGUERVBLR-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1CO ZINC001151358604 815073014 /nfs/dbraw/zinc/07/30/14/815073014.db2.gz HYDHPJGUERVBLR-SNVBAGLBSA-N 1 2 294.311 -0.075 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155194520 815268317 /nfs/dbraw/zinc/26/83/17/815268317.db2.gz RQPZGCGGSQQQIM-SNVBAGLBSA-N 1 2 268.273 -0.029 20 5 CBBDLO C[N@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155194520 815268320 /nfs/dbraw/zinc/26/83/20/815268320.db2.gz RQPZGCGGSQQQIM-SNVBAGLBSA-N 1 2 268.273 -0.029 20 5 CBBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2N)C[NH2+]1 ZINC001156248571 815350532 /nfs/dbraw/zinc/35/05/32/815350532.db2.gz DPYLFQLNCMFTLQ-RCOVLWMOSA-N 1 2 281.272 -0.113 20 5 CBBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001157772853 815464682 /nfs/dbraw/zinc/46/46/82/815464682.db2.gz QJPJKFIGWWBLQQ-SNVBAGLBSA-N 1 2 295.299 -0.013 20 5 CBBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001157772853 815464691 /nfs/dbraw/zinc/46/46/91/815464691.db2.gz QJPJKFIGWWBLQQ-SNVBAGLBSA-N 1 2 295.299 -0.013 20 5 CBBDLO CN1CC[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001116420283 812258383 /nfs/dbraw/zinc/25/83/83/812258383.db2.gz RLRFDCKDVWHNJW-UHFFFAOYSA-N 1 2 296.331 -0.315 20 5 CBBDLO C[NH+]1CCN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001116420283 812258389 /nfs/dbraw/zinc/25/83/89/812258389.db2.gz RLRFDCKDVWHNJW-UHFFFAOYSA-N 1 2 296.331 -0.315 20 5 CBBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC001141601497 814662851 /nfs/dbraw/zinc/66/28/51/814662851.db2.gz QGKAGAZLLFJUPM-UHFFFAOYSA-N 1 2 291.267 -0.231 20 5 CBBDLO CCOC(=O)[C@H]([NH3+])CNc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001161950231 815796082 /nfs/dbraw/zinc/79/60/82/815796082.db2.gz LBHHFMXTSGGUNW-MRVPVSSYSA-N 1 2 284.272 -0.161 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001162680138 815838909 /nfs/dbraw/zinc/83/89/09/815838909.db2.gz GRZFRRKTVIPLEU-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001162680138 815838914 /nfs/dbraw/zinc/83/89/14/815838914.db2.gz GRZFRRKTVIPLEU-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@@H+]1CCO[C@@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162687975 815840868 /nfs/dbraw/zinc/84/08/68/815840868.db2.gz GZVAEJQTFRGDGZ-VIFPVBQESA-N 1 2 268.273 -0.029 20 5 CBBDLO C[N@H+]1CCO[C@@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162687975 815840874 /nfs/dbraw/zinc/84/08/74/815840874.db2.gz GZVAEJQTFRGDGZ-VIFPVBQESA-N 1 2 268.273 -0.029 20 5 CBBDLO CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448668 816983341 /nfs/dbraw/zinc/98/33/41/816983341.db2.gz XGEYQONGQXKGEG-NXEZZACHSA-N 1 2 286.332 -0.774 20 5 CBBDLO CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448668 816983344 /nfs/dbraw/zinc/98/33/44/816983344.db2.gz XGEYQONGQXKGEG-NXEZZACHSA-N 1 2 286.332 -0.774 20 5 CBBDLO COC(=O)[C@@H](CC(N)=O)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996562 820200049 /nfs/dbraw/zinc/20/00/49/820200049.db2.gz WDNNRUDVLKHJKP-HRDYMLBCSA-N 1 2 273.289 -0.562 20 5 CBBDLO COC(=O)[C@@H]1C[C@@H](Nc2c[n+]([O-])ccc2[N+](=O)[O-])C[NH2+]1 ZINC001169132586 820213358 /nfs/dbraw/zinc/21/33/58/820213358.db2.gz SBUQGWCQFNMAOT-SFYZADRCSA-N 1 2 282.256 -0.456 20 5 CBBDLO O=C(NCC1(O)C[NH+](CC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278863340 828301758 /nfs/dbraw/zinc/30/17/58/828301758.db2.gz KZCLTSZNZWALQF-GHMZBOCLSA-N 1 2 283.328 -0.385 20 5 CBBDLO Cc1noc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001327535719 885394793 /nfs/dbraw/zinc/39/47/93/885394793.db2.gz SBBCKWJCGPJVEJ-YUMQZZPRSA-N 1 2 257.246 -0.324 20 5 CBBDLO Cc1noc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001327535719 885394812 /nfs/dbraw/zinc/39/48/12/885394812.db2.gz SBBCKWJCGPJVEJ-YUMQZZPRSA-N 1 2 257.246 -0.324 20 5 CBBDLO C[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C)[N+](=O)[O-] ZINC001339666750 889306779 /nfs/dbraw/zinc/30/67/79/889306779.db2.gz IHZWRSZSRWCNTK-SNVBAGLBSA-N 1 2 298.347 -0.079 20 5 CBBDLO C[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C)[N+](=O)[O-] ZINC001339666748 889307438 /nfs/dbraw/zinc/30/74/38/889307438.db2.gz IHZWRSZSRWCNTK-JTQLQIEISA-N 1 2 298.347 -0.079 20 5 CBBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC001341460155 889601843 /nfs/dbraw/zinc/60/18/43/889601843.db2.gz LRGNAWMWZPVVMB-WPRPVWTQSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC001341460155 889601856 /nfs/dbraw/zinc/60/18/56/889601856.db2.gz LRGNAWMWZPVVMB-WPRPVWTQSA-N 1 2 297.315 -0.223 20 5 CBBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1CO ZINC001454666434 914240596 /nfs/dbraw/zinc/24/05/96/914240596.db2.gz ZRTAJXRUNRANHU-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1CO ZINC001454666434 914240607 /nfs/dbraw/zinc/24/06/07/914240607.db2.gz ZRTAJXRUNRANHU-VIFPVBQESA-N 1 2 295.299 -0.680 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001459891489 914749288 /nfs/dbraw/zinc/74/92/88/914749288.db2.gz NRTCUGOOIASMKP-QMMMGPOBSA-N 1 2 268.277 -0.429 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])n1 ZINC001459891489 914749297 /nfs/dbraw/zinc/74/92/97/914749297.db2.gz NRTCUGOOIASMKP-QMMMGPOBSA-N 1 2 268.277 -0.429 20 5 CBBDLO Cn1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442990 915815597 /nfs/dbraw/zinc/81/55/97/915815597.db2.gz QGSCODYUWZPLKU-WPRPVWTQSA-N 1 2 270.289 -0.497 20 5 CBBDLO Cn1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC001473442990 915815612 /nfs/dbraw/zinc/81/56/12/915815612.db2.gz QGSCODYUWZPLKU-WPRPVWTQSA-N 1 2 270.289 -0.497 20 5 CBBDLO NC(=O)C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473558299 915838286 /nfs/dbraw/zinc/83/82/86/915838286.db2.gz QKGFSIHJOFAILS-SECBINFHSA-N 1 2 283.288 -0.633 20 5 CBBDLO NC(=O)C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473558299 915838303 /nfs/dbraw/zinc/83/83/03/915838303.db2.gz QKGFSIHJOFAILS-SECBINFHSA-N 1 2 283.288 -0.633 20 5 CBBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001544139076 923301219 /nfs/dbraw/zinc/30/12/19/923301219.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 1 2 296.331 -0.318 20 5 CBBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001544139076 923301225 /nfs/dbraw/zinc/30/12/25/923301225.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 1 2 296.331 -0.318 20 5 CBBDLO CS(=O)(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000337418733 214069341 /nfs/dbraw/zinc/06/93/41/214069341.db2.gz SWBBEFVHYIHDCY-JTQLQIEISA-N 1 2 288.329 -0.090 20 5 CBBDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000337418733 214069343 /nfs/dbraw/zinc/06/93/43/214069343.db2.gz SWBBEFVHYIHDCY-JTQLQIEISA-N 1 2 288.329 -0.090 20 5 CBBDLO COC[C@H](C(N)=O)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339363803 215124109 /nfs/dbraw/zinc/12/41/09/215124109.db2.gz VKVMWASQACKEIV-SECBINFHSA-N 1 2 271.277 -0.777 20 5 CBBDLO COC[C@H](C(N)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000339363803 215124110 /nfs/dbraw/zinc/12/41/10/215124110.db2.gz VKVMWASQACKEIV-SECBINFHSA-N 1 2 271.277 -0.777 20 5 CBBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1 ZINC000122593995 187040291 /nfs/dbraw/zinc/04/02/91/187040291.db2.gz FOIZAYJWQZUHNX-SCZZXKLOSA-N 1 2 283.288 -0.634 20 5 CBBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C(N)=O)O1 ZINC000122593995 187040292 /nfs/dbraw/zinc/04/02/92/187040292.db2.gz FOIZAYJWQZUHNX-SCZZXKLOSA-N 1 2 283.288 -0.634 20 5 CBBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C(N)=O)O1 ZINC000122784857 187051725 /nfs/dbraw/zinc/05/17/25/187051725.db2.gz QFOLPNGJMSKBPL-RKDXNWHRSA-N 1 2 283.288 -0.634 20 5 CBBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C(N)=O)O1 ZINC000122784857 187051726 /nfs/dbraw/zinc/05/17/26/187051726.db2.gz QFOLPNGJMSKBPL-RKDXNWHRSA-N 1 2 283.288 -0.634 20 5 CBBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CO)O1 ZINC000190119566 352177618 /nfs/dbraw/zinc/17/76/18/352177618.db2.gz GPCDSDBSJPYTOJ-GXSJLCMTSA-N 1 2 270.289 -0.127 20 5 CBBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CO)O1 ZINC000190119566 352177621 /nfs/dbraw/zinc/17/76/21/352177621.db2.gz GPCDSDBSJPYTOJ-GXSJLCMTSA-N 1 2 270.289 -0.127 20 5 CBBDLO NC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246234565 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CBBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000275068750 352551990 /nfs/dbraw/zinc/55/19/90/352551990.db2.gz WDWPTGIKIMUPCE-UHFFFAOYSA-N 1 2 296.283 -0.555 20 5 CBBDLO C[N@@H+]1CCO[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702908 352678662 /nfs/dbraw/zinc/67/86/62/352678662.db2.gz WHTPWJMSXYWTNU-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO C[N@H+]1CCO[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290702908 352678665 /nfs/dbraw/zinc/67/86/65/352678665.db2.gz WHTPWJMSXYWTNU-MRVPVSSYSA-N 1 2 295.299 -0.169 20 5 CBBDLO Cn1c(C(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000330397514 352818360 /nfs/dbraw/zinc/81/83/60/352818360.db2.gz PCHUMJJEPMQUKJ-UHFFFAOYSA-N 1 2 282.300 -0.005 20 5 CBBDLO Cn1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000330403370 352819584 /nfs/dbraw/zinc/81/95/84/352819584.db2.gz VZPXTHYDNPHDOM-VIFPVBQESA-N 1 2 282.300 -0.006 20 5 CBBDLO Cn1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000330403370 352819589 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