smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(CN2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000582986796 1186742749 /nfs/dbraw/zinc/74/27/49/1186742749.db2.gz CVXGMIPPCGGRJX-AWEZNQCLSA-N 1 2 377.401 0.844 10 5 GCBELO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970478 1196029533 /nfs/dbraw/zinc/02/95/33/1196029533.db2.gz LKXWAOYOBALJET-OLZOCXBDSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970478 1196029537 /nfs/dbraw/zinc/02/95/37/1196029537.db2.gz LKXWAOYOBALJET-OLZOCXBDSA-N 1 2 380.401 0.629 10 5 GCBELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191813322 1197480707 /nfs/dbraw/zinc/48/07/07/1197480707.db2.gz BKFLOUWXLLCGOK-UHFFFAOYSA-N 1 2 380.449 0.828 10 5 GCBELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191813322 1197480710 /nfs/dbraw/zinc/48/07/10/1197480710.db2.gz BKFLOUWXLLCGOK-UHFFFAOYSA-N 1 2 380.449 0.828 10 5 GCBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120073508 530256759 /nfs/dbraw/zinc/25/67/59/530256759.db2.gz NUSXQDYXJBOOFF-VIFPVBQESA-N 1 2 394.247 0.966 10 5 GCBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120073508 530256760 /nfs/dbraw/zinc/25/67/60/530256760.db2.gz NUSXQDYXJBOOFF-VIFPVBQESA-N 1 2 394.247 0.966 10 5 GCBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000171094653 530943576 /nfs/dbraw/zinc/94/35/76/530943576.db2.gz CQMMQBNFJPKNCC-SECBINFHSA-N 1 2 394.247 0.966 10 5 GCBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000171094653 530943577 /nfs/dbraw/zinc/94/35/77/530943577.db2.gz CQMMQBNFJPKNCC-SECBINFHSA-N 1 2 394.247 0.966 10 5 GCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262005299 1185304088 /nfs/dbraw/zinc/30/40/88/1185304088.db2.gz LSJVFHHEXDIKOT-GFCCVEGCSA-N 1 2 381.414 0.672 10 5 GCBELO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518919099 1195347049 /nfs/dbraw/zinc/34/70/49/1195347049.db2.gz FISNCMBTAXCWNT-STQMWFEESA-N 1 2 380.401 0.629 10 5 GCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000180522940 530333863 /nfs/dbraw/zinc/33/38/63/530333863.db2.gz NSWWEMDHYZARGD-JTQLQIEISA-N 1 2 388.218 0.780 10 5 GCBELO CS(=O)(=O)NCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000510181750 1184596187 /nfs/dbraw/zinc/59/61/87/1184596187.db2.gz CFHUTQAQSJYMNO-INIZCTEOSA-N 1 2 396.469 0.961 10 5 GCBELO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472231217 1186563690 /nfs/dbraw/zinc/56/36/90/1186563690.db2.gz SCBFXJKOFIPSOP-UHFFFAOYSA-N 1 2 394.457 0.522 10 5 GCBELO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140519 1195965402 /nfs/dbraw/zinc/96/54/02/1195965402.db2.gz ZUSDMTNWXCQEGW-CHWSQXEVSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140519 1195965404 /nfs/dbraw/zinc/96/54/04/1195965404.db2.gz ZUSDMTNWXCQEGW-CHWSQXEVSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140520 1195965582 /nfs/dbraw/zinc/96/55/82/1195965582.db2.gz ZUSDMTNWXCQEGW-OLZOCXBDSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140520 1195965584 /nfs/dbraw/zinc/96/55/84/1195965584.db2.gz ZUSDMTNWXCQEGW-OLZOCXBDSA-N 1 2 380.401 0.629 10 5 GCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132365847 530933388 /nfs/dbraw/zinc/93/33/88/530933388.db2.gz HLFDYWLQXILQSK-ZDUSSCGKSA-N 1 2 388.218 0.780 10 5 GCBELO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970477 1196029720 /nfs/dbraw/zinc/02/97/20/1196029720.db2.gz LKXWAOYOBALJET-CHWSQXEVSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970477 1196029721 /nfs/dbraw/zinc/02/97/21/1196029721.db2.gz LKXWAOYOBALJET-CHWSQXEVSA-N 1 2 380.401 0.629 10 5 GCBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120073354 530256858 /nfs/dbraw/zinc/25/68/58/530256858.db2.gz NUSXQDYXJBOOFF-SECBINFHSA-N 1 2 394.247 0.966 10 5 GCBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120073354 530256860 /nfs/dbraw/zinc/25/68/60/530256860.db2.gz NUSXQDYXJBOOFF-SECBINFHSA-N 1 2 394.247 0.966 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610913589 1186259726 /nfs/dbraw/zinc/25/97/26/1186259726.db2.gz GIENMIZFDMJAMY-UONOGXRCSA-N 1 2 392.412 0.726 10 5 GCBELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518919097 1195346975 /nfs/dbraw/zinc/34/69/75/1195346975.db2.gz FISNCMBTAXCWNT-OLZOCXBDSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185961310 1196219017 /nfs/dbraw/zinc/21/90/17/1196219017.db2.gz JLFTYLZCRXKQCY-LJQANCHMSA-N 1 2 389.456 0.973 10 5 GCBELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185961310 1196219018 /nfs/dbraw/zinc/21/90/18/1196219018.db2.gz JLFTYLZCRXKQCY-LJQANCHMSA-N 1 2 389.456 0.973 10 5 GCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133102786 530938817 /nfs/dbraw/zinc/93/88/17/530938817.db2.gz GGGWVTQVRSJWGJ-NSHDSACASA-N 1 2 388.218 0.780 10 5 GCBELO Cc1noc(CN2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000582986799 1186742475 /nfs/dbraw/zinc/74/24/75/1186742475.db2.gz CVXGMIPPCGGRJX-CQSZACIVSA-N 1 2 377.401 0.844 10 5 GCBELO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970480 1196029699 /nfs/dbraw/zinc/02/96/99/1196029699.db2.gz LKXWAOYOBALJET-STQMWFEESA-N 1 2 380.401 0.629 10 5 GCBELO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970480 1196029702 /nfs/dbraw/zinc/02/97/02/1196029702.db2.gz LKXWAOYOBALJET-STQMWFEESA-N 1 2 380.401 0.629 10 5 GCBELO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000451133577 1196974696 /nfs/dbraw/zinc/97/46/96/1196974696.db2.gz JVEKBGZFLSIVJH-HNNXBMFYSA-N 1 2 389.408 0.995 10 5 GCBELO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000451133577 1196974697 /nfs/dbraw/zinc/97/46/97/1196974697.db2.gz JVEKBGZFLSIVJH-HNNXBMFYSA-N 1 2 389.408 0.995 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533531370 1197456174 /nfs/dbraw/zinc/45/61/74/1197456174.db2.gz SWURFFKFAFNBIZ-ROUUACIJSA-N 1 2 393.440 0.909 10 5 GCBELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131774536 1199854181 /nfs/dbraw/zinc/85/41/81/1199854181.db2.gz AKRDZCBTXGXHFA-HNNXBMFYSA-N 1 2 391.472 0.821 10 5 GCBELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131774708 1199854391 /nfs/dbraw/zinc/85/43/91/1199854391.db2.gz AKRDZCBTXGXHFA-OAHLLOKOSA-N 1 2 391.472 0.821 10 5 GCBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000132914768 530291804 /nfs/dbraw/zinc/29/18/04/530291804.db2.gz JDTXGBBFBRUNAB-NSHDSACASA-N 1 2 388.218 0.780 10 5 GCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132366029 530934354 /nfs/dbraw/zinc/93/43/54/530934354.db2.gz HLFDYWLQXILQSK-CYBMUJFWSA-N 1 2 388.218 0.780 10 5 GCBELO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518919096 1195347119 /nfs/dbraw/zinc/34/71/19/1195347119.db2.gz FISNCMBTAXCWNT-CHWSQXEVSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000473871069 1195553593 /nfs/dbraw/zinc/55/35/93/1195553593.db2.gz ALXIXQSGQYIVOO-ZDUSSCGKSA-N 1 2 395.441 0.912 10 5 GCBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185961330 1196219204 /nfs/dbraw/zinc/21/92/04/1196219204.db2.gz JLFTYLZCRXKQCY-IBGZPJMESA-N 1 2 389.456 0.973 10 5 GCBELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185961330 1196219207 /nfs/dbraw/zinc/21/92/07/1196219207.db2.gz JLFTYLZCRXKQCY-IBGZPJMESA-N 1 2 389.456 0.973 10 5 GCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000132914956 530936972 /nfs/dbraw/zinc/93/69/72/530936972.db2.gz JDTXGBBFBRUNAB-LLVKDONJSA-N 1 2 388.218 0.780 10 5 GCBELO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000523690237 1196549436 /nfs/dbraw/zinc/54/94/36/1196549436.db2.gz BMGBBROECYKZSA-UHFFFAOYSA-N 1 2 379.398 0.543 10 5 GCBELO Cn1c[nH+]cc1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548132496 1185321062 /nfs/dbraw/zinc/32/10/62/1185321062.db2.gz OOCFXOHMEJPALA-UHFFFAOYSA-N 1 2 381.414 0.356 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913588 1186259543 /nfs/dbraw/zinc/25/95/43/1186259543.db2.gz GIENMIZFDMJAMY-KGLIPLIRSA-N 1 2 392.412 0.726 10 5 GCBELO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140521 1195965389 /nfs/dbraw/zinc/96/53/89/1195965389.db2.gz ZUSDMTNWXCQEGW-QWHCGFSZSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140521 1195965391 /nfs/dbraw/zinc/96/53/91/1195965391.db2.gz ZUSDMTNWXCQEGW-QWHCGFSZSA-N 1 2 380.401 0.629 10 5 GCBELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000444413042 1196457764 /nfs/dbraw/zinc/45/77/64/1196457764.db2.gz SEVJGVXVJLBVKD-UHFFFAOYSA-N 1 2 387.400 0.489 10 5 GCBELO Cn1c[nH+]cc1CCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000793256160 1205497393 /nfs/dbraw/zinc/49/73/93/1205497393.db2.gz OXGKFIHJYUPRFC-UHFFFAOYSA-N 1 2 382.398 0.783 10 5 GCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000180522958 530369690 /nfs/dbraw/zinc/36/96/90/530369690.db2.gz NSWWEMDHYZARGD-SNVBAGLBSA-N 1 2 388.218 0.780 10 5 GCBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133102935 530938665 /nfs/dbraw/zinc/93/86/65/530938665.db2.gz GGGWVTQVRSJWGJ-LLVKDONJSA-N 1 2 388.218 0.780 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913590 1186259743 /nfs/dbraw/zinc/25/97/43/1186259743.db2.gz GIENMIZFDMJAMY-ZIAGYGMSSA-N 1 2 392.412 0.726 10 5 GCBELO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970479 1196029636 /nfs/dbraw/zinc/02/96/36/1196029636.db2.gz LKXWAOYOBALJET-QWHCGFSZSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970479 1196029638 /nfs/dbraw/zinc/02/96/38/1196029638.db2.gz LKXWAOYOBALJET-QWHCGFSZSA-N 1 2 380.401 0.629 10 5 GCBELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000451133578 1196974592 /nfs/dbraw/zinc/97/45/92/1196974592.db2.gz JVEKBGZFLSIVJH-OAHLLOKOSA-N 1 2 389.408 0.995 10 5 GCBELO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000451133578 1196974595 /nfs/dbraw/zinc/97/45/95/1196974595.db2.gz JVEKBGZFLSIVJH-OAHLLOKOSA-N 1 2 389.408 0.995 10 5 GCBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000171094681 530943625 /nfs/dbraw/zinc/94/36/25/530943625.db2.gz AWWKNPONHQYGNY-SNVBAGLBSA-N 1 2 394.247 0.966 10 5 GCBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000171094681 530943629 /nfs/dbraw/zinc/94/36/29/530943629.db2.gz AWWKNPONHQYGNY-SNVBAGLBSA-N 1 2 394.247 0.966 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000533531369 1184512801 /nfs/dbraw/zinc/51/28/01/1184512801.db2.gz SWURFFKFAFNBIZ-QZTJIDSGSA-N 1 2 393.440 0.909 10 5 GCBELO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000102860040 1187634162 /nfs/dbraw/zinc/63/41/62/1187634162.db2.gz XWRLENDZYPJIFS-OAHLLOKOSA-N 1 2 388.428 0.936 10 5 GCBELO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518919098 1195347293 /nfs/dbraw/zinc/34/72/93/1195347293.db2.gz FISNCMBTAXCWNT-QWHCGFSZSA-N 1 2 380.401 0.629 10 5 GCBELO C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000473871067 1195553584 /nfs/dbraw/zinc/55/35/84/1195553584.db2.gz ALXIXQSGQYIVOO-CYBMUJFWSA-N 1 2 395.441 0.912 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610913587 1186260013 /nfs/dbraw/zinc/26/00/13/1186260013.db2.gz GIENMIZFDMJAMY-KBPBESRZSA-N 1 2 392.412 0.726 10 5 GCBELO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000102860038 1187634953 /nfs/dbraw/zinc/63/49/53/1187634953.db2.gz XWRLENDZYPJIFS-HNNXBMFYSA-N 1 2 388.428 0.936 10 5 GCBELO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140522 1195965306 /nfs/dbraw/zinc/96/53/06/1195965306.db2.gz ZUSDMTNWXCQEGW-STQMWFEESA-N 1 2 380.401 0.629 10 5 GCBELO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140522 1195965308 /nfs/dbraw/zinc/96/53/08/1195965308.db2.gz ZUSDMTNWXCQEGW-STQMWFEESA-N 1 2 380.401 0.629 10 5 GCBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533531371 1197456013 /nfs/dbraw/zinc/45/60/13/1197456013.db2.gz SWURFFKFAFNBIZ-ZWKOTPCHSA-N 1 2 393.440 0.909 10 5 GCBELO CS(=O)(=O)NCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000510181751 1184595764 /nfs/dbraw/zinc/59/57/64/1184595764.db2.gz CFHUTQAQSJYMNO-MRXNPFEDSA-N 1 2 396.469 0.961 10 5 GCBELO CCOC(=O)[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12COC2 ZINC000451131908 1196974020 /nfs/dbraw/zinc/97/40/20/1196974020.db2.gz HTZOQXXYJRICQM-OAHLLOKOSA-N 1 2 389.408 0.995 10 5 GCBELO 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