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JCBDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000507541573 1069394501 /nfs/dbraw/zinc/39/45/01/1069394501.db2.gz CWTPTFIBWJHPPJ-HUUCEWRRSA-N 0 0 462.550 0.564 20 5 JCBDRN Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000507543883 1069394950 /nfs/dbraw/zinc/39/49/50/1069394950.db2.gz JISSEHWWZGNYDW-INIZCTEOSA-N 0 0 461.562 0.803 20 5 JCBDRN Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000507543890 1069395038 /nfs/dbraw/zinc/39/50/38/1069395038.db2.gz JISSEHWWZGNYDW-MRXNPFEDSA-N 0 0 461.562 0.803 20 5 JCBDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000507563141 1069397020 /nfs/dbraw/zinc/39/70/20/1069397020.db2.gz BHPNIOQSJNPHRW-INIZCTEOSA-N 0 0 476.533 0.173 20 5 JCBDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000507563149 1069396872 /nfs/dbraw/zinc/39/68/72/1069396872.db2.gz BHPNIOQSJNPHRW-MRXNPFEDSA-N 0 0 476.533 0.173 20 5 JCBDRN Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc12 ZINC000507563378 1069396660 /nfs/dbraw/zinc/39/66/60/1069396660.db2.gz BRADUEOPDCNVBM-UHFFFAOYSA-N 0 0 480.528 0.880 20 5 JCBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000507567649 1069395658 /nfs/dbraw/zinc/39/56/58/1069395658.db2.gz LHXYTRDDMZSCGJ-UHFFFAOYSA-N 0 0 481.574 0.117 20 5 JCBDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000507569715 1069395475 /nfs/dbraw/zinc/39/54/75/1069395475.db2.gz PYGOJZTVHVSUMC-INIZCTEOSA-N 0 0 490.560 0.482 20 5 JCBDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000507569722 1069395551 /nfs/dbraw/zinc/39/55/51/1069395551.db2.gz PYGOJZTVHVSUMC-MRXNPFEDSA-N 0 0 490.560 0.482 20 5 JCBDRN COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000507717668 1069400610 /nfs/dbraw/zinc/40/06/10/1069400610.db2.gz KTECCELLJKWAQN-PBHICJAKSA-N 0 0 493.494 0.830 20 5 JCBDRN COC(=O)c1cc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000507717669 1069400675 /nfs/dbraw/zinc/40/06/75/1069400675.db2.gz KTECCELLJKWAQN-YOEHRIQHSA-N 0 0 493.494 0.830 20 5 JCBDRN C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000507776957 1069482278 /nfs/dbraw/zinc/48/22/78/1069482278.db2.gz FSCLKPSMCJUNFP-JXFKEZNVSA-N 0 0 453.415 0.777 20 5 JCBDRN C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000507776969 1069482211 /nfs/dbraw/zinc/48/22/11/1069482211.db2.gz FSCLKPSMCJUNFP-OXJNMPFZSA-N 0 0 453.415 0.777 20 5 JCBDRN C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000507776971 1069482266 /nfs/dbraw/zinc/48/22/66/1069482266.db2.gz FSCLKPSMCJUNFP-OXQOHEQNSA-N 0 0 453.415 0.777 20 5 JCBDRN C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000507776973 1069482311 /nfs/dbraw/zinc/48/23/11/1069482311.db2.gz FSCLKPSMCJUNFP-UZLBHIALSA-N 0 0 453.415 0.777 20 5 JCBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)cc1[N+](=O)[O-] ZINC000507824029 1069507914 /nfs/dbraw/zinc/50/79/14/1069507914.db2.gz MMWMGHHINFRLRA-HNNXBMFYSA-N 0 0 454.505 0.695 20 5 JCBDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1[N+](=O)[O-] ZINC000507824034 1069507871 /nfs/dbraw/zinc/50/78/71/1069507871.db2.gz MMWMGHHINFRLRA-OAHLLOKOSA-N 0 0 454.505 0.695 20 5 JCBDRN COCCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000507899974 1069509179 /nfs/dbraw/zinc/50/91/79/1069509179.db2.gz CWCPDBFXHOYTIQ-UHFFFAOYSA-N 0 0 470.442 0.329 20 5 JCBDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000507904780 1069510247 /nfs/dbraw/zinc/51/02/47/1069510247.db2.gz XLIGCGZXRFBLPU-UHFFFAOYSA-N 0 0 452.445 0.425 20 5 JCBDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)c1 ZINC000507916331 1069509661 /nfs/dbraw/zinc/50/96/61/1069509661.db2.gz AFMOROPRJNQFNA-UHFFFAOYSA-N 0 0 466.472 0.307 20 5 JCBDRN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000507918248 1069509721 /nfs/dbraw/zinc/50/97/21/1069509721.db2.gz FASLPPFGAAKWBW-HKUYNNGSSA-N 0 0 488.522 0.703 20 5 JCBDRN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000507918249 1069509603 /nfs/dbraw/zinc/50/96/03/1069509603.db2.gz FASLPPFGAAKWBW-MJGOQNOKSA-N 0 0 488.522 0.703 20 5 JCBDRN COCCCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000507932230 1069511721 /nfs/dbraw/zinc/51/17/21/1069511721.db2.gz AHAZFOZQTGIBOM-UHFFFAOYSA-N 0 0 484.469 0.719 20 5 JCBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507937680 1069510560 /nfs/dbraw/zinc/51/05/60/1069510560.db2.gz OESWTPWQSAZRGM-GHTZIAJQSA-N 0 0 455.536 0.769 20 5 JCBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507937687 1069510719 /nfs/dbraw/zinc/51/07/19/1069510719.db2.gz OESWTPWQSAZRGM-NQIIRXRSSA-N 0 0 455.536 0.769 20 5 JCBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507937690 1069510614 /nfs/dbraw/zinc/51/06/14/1069510614.db2.gz OESWTPWQSAZRGM-RXVVDRJESA-N 0 0 455.536 0.769 20 5 JCBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507937695 1069510668 /nfs/dbraw/zinc/51/06/68/1069510668.db2.gz OESWTPWQSAZRGM-WIYYLYMNSA-N 0 0 455.536 0.769 20 5 JCBDRN CN(C)C(=O)CN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000508025236 1069516074 /nfs/dbraw/zinc/51/60/74/1069516074.db2.gz JDXTVKKMPYWIGA-UHFFFAOYSA-N 0 0 497.574 0.379 20 5 JCBDRN Cn1cc(C(=O)NCC2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cn1 ZINC000508058700 1069516675 /nfs/dbraw/zinc/51/66/75/1069516675.db2.gz BDNZDGFKPGSLNC-UHFFFAOYSA-N 0 0 456.459 0.722 20 5 JCBDRN CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000508068549 1069516780 /nfs/dbraw/zinc/51/67/80/1069516780.db2.gz NVMOKOGLFQDUCO-HOCLYGCPSA-N 0 0 455.489 0.520 20 5 JCBDRN CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000508068550 1069516745 /nfs/dbraw/zinc/51/67/45/1069516745.db2.gz NVMOKOGLFQDUCO-ZBFHGGJFSA-N 0 0 455.489 0.520 20 5 JCBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000508226294 1069524187 /nfs/dbraw/zinc/52/41/87/1069524187.db2.gz XPIYAAGUYJCCTC-MSOLQXFVSA-N 0 0 484.600 0.778 20 5 JCBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000508226298 1069524151 /nfs/dbraw/zinc/52/41/51/1069524151.db2.gz XPIYAAGUYJCCTC-QZTJIDSGSA-N 0 0 484.600 0.778 20 5 JCBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000508226302 1069524235 /nfs/dbraw/zinc/52/42/35/1069524235.db2.gz XPIYAAGUYJCCTC-ROUUACIJSA-N 0 0 484.600 0.778 20 5 JCBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000508226305 1069524120 /nfs/dbraw/zinc/52/41/20/1069524120.db2.gz XPIYAAGUYJCCTC-ZWKOTPCHSA-N 0 0 484.600 0.778 20 5 JCBDRN O=C(NCC[C@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000508246393 1069524202 /nfs/dbraw/zinc/52/42/02/1069524202.db2.gz DGDHZOBFQFFMQN-JOQOYGCGSA-N 0 0 474.495 0.961 20 5 JCBDRN O=C(NCC[C@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000508246401 1069524242 /nfs/dbraw/zinc/52/42/42/1069524242.db2.gz DGDHZOBFQFFMQN-SIIHOXLZSA-N 0 0 474.495 0.961 20 5 JCBDRN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000508246402 1069524224 /nfs/dbraw/zinc/52/42/24/1069524224.db2.gz DGDHZOBFQFFMQN-XUWXXGDYSA-N 0 0 474.495 0.961 20 5 JCBDRN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000508246404 1069524056 /nfs/dbraw/zinc/52/40/56/1069524056.db2.gz DGDHZOBFQFFMQN-YEWWUXTCSA-N 0 0 474.495 0.961 20 5 JCBDRN CCS(=O)(=O)NCCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000508279670 1069525350 /nfs/dbraw/zinc/52/53/50/1069525350.db2.gz LVUFKYBTTWVMCV-UHFFFAOYSA-N 0 0 477.565 0.159 20 5 JCBDRN CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508281485 1069525359 /nfs/dbraw/zinc/52/53/59/1069525359.db2.gz YQHBGADMQBGUAP-INIZCTEOSA-N 0 0 467.548 0.276 20 5 JCBDRN CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000508281490 1069525303 /nfs/dbraw/zinc/52/53/03/1069525303.db2.gz YQHBGADMQBGUAP-MRXNPFEDSA-N 0 0 467.548 0.276 20 5 JCBDRN NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000508295209 1069526270 /nfs/dbraw/zinc/52/62/70/1069526270.db2.gz HSBOBKDRSBQOQY-HNNXBMFYSA-N 0 0 482.540 0.959 20 5 JCBDRN NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000508295210 1069526358 /nfs/dbraw/zinc/52/63/58/1069526358.db2.gz HSBOBKDRSBQOQY-OAHLLOKOSA-N 0 0 482.540 0.959 20 5 JCBDRN CCN(C(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000508306591 1069525654 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C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000729946399 1069746445 /nfs/dbraw/zinc/74/64/45/1069746445.db2.gz FGQFYRUWXGGTOC-AWEZNQCLSA-N 0 0 486.437 0.830 20 5 JCBDRN C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000729946400 1069746476 /nfs/dbraw/zinc/74/64/76/1069746476.db2.gz FGQFYRUWXGGTOC-CQSZACIVSA-N 0 0 486.437 0.830 20 5 JCBDRN CCCCN(C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 ZINC000729946525 1069746609 /nfs/dbraw/zinc/74/66/09/1069746609.db2.gz GWOIOHBGWZHZQD-HNNXBMFYSA-N 0 0 483.499 0.679 20 5 JCBDRN CCCCN(C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000729946526 1069746523 /nfs/dbraw/zinc/74/65/23/1069746523.db2.gz GWOIOHBGWZHZQD-OAHLLOKOSA-N 0 0 483.499 0.679 20 5 JCBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000729946721 1069746636 /nfs/dbraw/zinc/74/66/36/1069746636.db2.gz HFRGZXMVLFJFOH-UHFFFAOYSA-N 0 0 461.408 0.708 20 5 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O=C(CNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1 ZINC000729948104 1069747601 /nfs/dbraw/zinc/74/76/01/1069747601.db2.gz AMOZUCWKAROSDR-UHFFFAOYSA-N 0 0 478.364 0.897 20 5 JCBDRN Cn1c2nnc(COC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)n2c2ccccc2c1=O ZINC000729948270 1069746561 /nfs/dbraw/zinc/74/65/61/1069746561.db2.gz WOHXWUNPPRQXFI-UHFFFAOYSA-N 0 0 464.394 0.958 20 5 JCBDRN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 ZINC000729948367 1069747821 /nfs/dbraw/zinc/74/78/21/1069747821.db2.gz ZLQDWAJSVNUQSI-UHFFFAOYSA-N 0 0 486.437 0.969 20 5 JCBDRN NS(=O)(=O)c1ccc(OCCOC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 ZINC000729948404 1069746468 /nfs/dbraw/zinc/74/64/68/1069746468.db2.gz LOQHZGYJYHTVDG-UHFFFAOYSA-N 0 0 451.413 0.590 20 5 JCBDRN CCN(C(=O)[C@H](C)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000729948860 1069747771 /nfs/dbraw/zinc/74/77/71/1069747771.db2.gz XIZRVLUYRVIKKY-GXTWGEPZSA-N 0 0 469.472 0.288 20 5 JCBDRN 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C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000904222670 1070240832 /nfs/dbraw/zinc/24/08/32/1070240832.db2.gz QURVWLQAXRWRIE-SDDRHHMPSA-N 0 0 457.436 0.322 20 5 JCBDRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000904222671 1070240869 /nfs/dbraw/zinc/24/08/69/1070240869.db2.gz QURVWLQAXRWRIE-SRVKXCTJSA-N 0 0 457.436 0.322 20 5 JCBDRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000904222672 1070240941 /nfs/dbraw/zinc/24/09/41/1070240941.db2.gz QURVWLQAXRWRIE-TUAOUCFPSA-N 0 0 457.436 0.322 20 5 JCBDRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000904222794 1070240774 /nfs/dbraw/zinc/24/07/74/1070240774.db2.gz WYZDNCDXUQVMNX-OBJOEFQTSA-N 0 0 471.463 0.664 20 5 JCBDRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000904222795 1070240890 /nfs/dbraw/zinc/24/08/90/1070240890.db2.gz WYZDNCDXUQVMNX-OUCADQQQSA-N 0 0 471.463 0.664 20 5 JCBDRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000904222796 1070240933 /nfs/dbraw/zinc/24/09/33/1070240933.db2.gz WYZDNCDXUQVMNX-SCRDCRAPSA-N 0 0 471.463 0.664 20 5 JCBDRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000904222797 1070240845 /nfs/dbraw/zinc/24/08/45/1070240845.db2.gz WYZDNCDXUQVMNX-SGMGOOAPSA-N 0 0 471.463 0.664 20 5 JCBDRN COc1ccc(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c([N+](=O)[O-])c1 ZINC000904469549 1070245299 /nfs/dbraw/zinc/24/52/99/1070245299.db2.gz OJXBJDFPGOOUEU-UHFFFAOYSA-N 0 0 456.419 0.834 20 5 JCBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000904473811 1070246038 /nfs/dbraw/zinc/24/60/38/1070246038.db2.gz UGPAAUAXBXZPLK-UHFFFAOYSA-N 0 0 456.419 0.834 20 5 JCBDRN O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000904533620 1070247250 /nfs/dbraw/zinc/24/72/50/1070247250.db2.gz OPWCNYYJKJJOQK-UHFFFAOYSA-N 0 0 495.500 0.536 20 5 JCBDRN O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000904544586 1070247931 /nfs/dbraw/zinc/24/79/31/1070247931.db2.gz VXEZHALGMXMCSN-UHFFFAOYSA-N 0 0 452.431 0.776 20 5 JCBDRN O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000904558858 1070248502 /nfs/dbraw/zinc/24/85/02/1070248502.db2.gz CDPFXRVRSWTANB-UHFFFAOYSA-N 0 0 452.431 0.776 20 5 JCBDRN CNC(=O)Cc1noc(C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n1 ZINC000904636950 1070249288 /nfs/dbraw/zinc/24/92/88/1070249288.db2.gz VKYOPQMMQANPDD-UHFFFAOYSA-N 0 0 494.530 0.671 20 5 JCBDRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000906327737 1070270577 /nfs/dbraw/zinc/27/05/77/1070270577.db2.gz GCKUQUXHPAJWQA-UHFFFAOYSA-N 0 0 492.466 0.466 20 5 JCBDRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000906328102 1070271541 /nfs/dbraw/zinc/27/15/41/1070271541.db2.gz JZIVMGRCSYBXFT-UHFFFAOYSA-N 0 0 492.466 0.466 20 5 JCBDRN Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])ccc21 ZINC000906375390 1070271443 /nfs/dbraw/zinc/27/14/43/1070271443.db2.gz SJDJUBXGIYOILK-UHFFFAOYSA-N 0 0 499.479 0.828 20 5 JCBDRN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000906441903 1070272529 /nfs/dbraw/zinc/27/25/29/1070272529.db2.gz QZQNUCSJMNIAEJ-UHFFFAOYSA-N 0 0 473.511 0.678 20 5 JCBDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cc1 ZINC000906503365 1070275330 /nfs/dbraw/zinc/27/53/30/1070275330.db2.gz SVDGEARETYKVSY-NRFANRHFSA-N 0 0 467.394 0.698 20 5 JCBDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cc1 ZINC000906503368 1070275140 /nfs/dbraw/zinc/27/51/40/1070275140.db2.gz SVDGEARETYKVSY-OAQYLSRUSA-N 0 0 467.394 0.698 20 5 JCBDRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000911515334 1070327295 /nfs/dbraw/zinc/32/72/95/1070327295.db2.gz HEVYJLRNIRUTPQ-AWEZNQCLSA-N 0 0 450.448 0.865 20 5 JCBDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000911515345 1070327334 /nfs/dbraw/zinc/32/73/34/1070327334.db2.gz HEVYJLRNIRUTPQ-CQSZACIVSA-N 0 0 450.448 0.865 20 5 JCBDRN CCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000911516628 1070327068 /nfs/dbraw/zinc/32/70/68/1070327068.db2.gz SKPLOUIGDLXIRB-GDBMZVCRSA-N 0 0 469.516 0.990 20 5 JCBDRN CCCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000911516629 1070327240 /nfs/dbraw/zinc/32/72/40/1070327240.db2.gz SKPLOUIGDLXIRB-GOEBONIOSA-N 0 0 469.516 0.990 20 5 JCBDRN CCCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000911516630 1070327415 /nfs/dbraw/zinc/32/74/15/1070327415.db2.gz SKPLOUIGDLXIRB-HOCLYGCPSA-N 0 0 469.516 0.990 20 5 JCBDRN CCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000911516631 1070327314 /nfs/dbraw/zinc/32/73/14/1070327314.db2.gz SKPLOUIGDLXIRB-ZBFHGGJFSA-N 0 0 469.516 0.990 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911518551 1070327153 /nfs/dbraw/zinc/32/71/53/1070327153.db2.gz BCOJHNYPDWXIGI-PBHICJAKSA-N 0 0 455.489 0.504 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911518552 1070327349 /nfs/dbraw/zinc/32/73/49/1070327349.db2.gz BCOJHNYPDWXIGI-RHSMWYFYSA-N 0 0 455.489 0.504 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911518553 1070327256 /nfs/dbraw/zinc/32/72/56/1070327256.db2.gz BCOJHNYPDWXIGI-WMLDXEAASA-N 0 0 455.489 0.504 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911518554 1070327085 /nfs/dbraw/zinc/32/70/85/1070327085.db2.gz BCOJHNYPDWXIGI-YOEHRIQHSA-N 0 0 455.489 0.504 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911524292 1070327116 /nfs/dbraw/zinc/32/71/16/1070327116.db2.gz QDXWEDPCTHZGTN-FXAWDEMLSA-N 0 0 469.516 0.894 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911524294 1070327362 /nfs/dbraw/zinc/32/73/62/1070327362.db2.gz QDXWEDPCTHZGTN-PXNSSMCTSA-N 0 0 469.516 0.894 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911524297 1070327137 /nfs/dbraw/zinc/32/71/37/1070327137.db2.gz QDXWEDPCTHZGTN-XLIONFOSSA-N 0 0 469.516 0.894 20 5 JCBDRN Cc1cc(C(=O)NCC(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)ccc1[N+](=O)[O-] ZINC000911524298 1070327042 /nfs/dbraw/zinc/32/70/42/1070327042.db2.gz QDXWEDPCTHZGTN-YLJYHZDGSA-N 0 0 469.516 0.894 20 5 JCBDRN O=C(OCCCO)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000912402975 1070342949 /nfs/dbraw/zinc/34/29/49/1070342949.db2.gz RKSMDBBDTXVXSG-UHFFFAOYSA-N 0 0 457.505 0.758 20 5 JCBDRN COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000912523023 1070343579 /nfs/dbraw/zinc/34/35/79/1070343579.db2.gz DGGBYOCHLFMFMD-UHFFFAOYSA-N 0 0 473.489 0.108 20 5 JCBDRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000912523617 1070344918 /nfs/dbraw/zinc/34/49/18/1070344918.db2.gz KFYQCOFTONIAEV-UHFFFAOYSA-N 0 0 487.516 0.417 20 5 JCBDRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000912529655 1070345383 /nfs/dbraw/zinc/34/53/83/1070345383.db2.gz FBDVTFWDLMSLGC-UHFFFAOYSA-N 0 0 475.505 0.597 20 5 JCBDRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000912529742 1070346198 /nfs/dbraw/zinc/34/61/98/1070346198.db2.gz HJWWKYWDCDVKEZ-UHFFFAOYSA-N 0 0 461.478 0.207 20 5 JCBDRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000912535664 1070346810 /nfs/dbraw/zinc/34/68/10/1070346810.db2.gz WXTQOQQFKLGGGH-UHFFFAOYSA-N 0 0 461.478 0.060 20 5 JCBDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000912663456 1070352213 /nfs/dbraw/zinc/35/22/13/1070352213.db2.gz FOIXGCLHPLIXNK-AWEZNQCLSA-N 0 0 454.505 0.197 20 5 JCBDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000912663457 1070352124 /nfs/dbraw/zinc/35/21/24/1070352124.db2.gz FOIXGCLHPLIXNK-CQSZACIVSA-N 0 0 454.505 0.197 20 5 JCBDRN COc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000912679143 1070353419 /nfs/dbraw/zinc/35/34/19/1070353419.db2.gz CMORZFSQLCXOMS-UHFFFAOYSA-N 0 0 464.456 0.688 20 5 JCBDRN COc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000912679177 1070353094 /nfs/dbraw/zinc/35/30/94/1070353094.db2.gz IWIBCZADVFYFSX-UHFFFAOYSA-N 0 0 464.456 0.688 20 5 JCBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912684826 1070353699 /nfs/dbraw/zinc/35/36/99/1070353699.db2.gz 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RMOISWVMPLSJKH-LLVKDONJSA-N 0 0 450.267 0.800 20 5 JCBDRN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001191547571 1069419318 /nfs/dbraw/zinc/41/93/18/1069419318.db2.gz RMOISWVMPLSJKH-NSHDSACASA-N 0 0 450.267 0.800 20 5 JCBDRN C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001191568008 1069420044 /nfs/dbraw/zinc/42/00/44/1069420044.db2.gz FVKVPURKQHKOML-IBGZPJMESA-N 0 0 458.563 0.872 20 5 JCBDRN C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001191568009 1069419920 /nfs/dbraw/zinc/41/99/20/1069419920.db2.gz FVKVPURKQHKOML-LJQANCHMSA-N 0 0 458.563 0.872 20 5 JCBDRN COC(=O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001191802067 1069427867 /nfs/dbraw/zinc/42/78/67/1069427867.db2.gz RRUBWWTYSKCINF-QGZVFWFLSA-N 0 0 454.505 0.455 20 5 JCBDRN NS(=O)(=O)CCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC001191968824 1069435170 /nfs/dbraw/zinc/43/51/70/1069435170.db2.gz IVCRLIOETKJQEY-UHFFFAOYSA-N 0 0 454.290 0.606 20 5 JCBDRN CCC[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001193022640 1069483667 /nfs/dbraw/zinc/48/36/67/1069483667.db2.gz VVGXRTIYGFSUGY-KRWDZBQOSA-N 0 0 453.521 0.028 20 5 JCBDRN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001193022650 1069483687 /nfs/dbraw/zinc/48/36/87/1069483687.db2.gz VVGXRTIYGFSUGY-QGZVFWFLSA-N 0 0 453.521 0.028 20 5 JCBDRN COC(=O)[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001193033343 1069484303 /nfs/dbraw/zinc/48/43/03/1069484303.db2.gz NUAHBVXJEVEYKM-IBGZPJMESA-N 0 0 454.505 0.359 20 5 JCBDRN COC(=O)[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001193033344 1069484274 /nfs/dbraw/zinc/48/42/74/1069484274.db2.gz NUAHBVXJEVEYKM-LJQANCHMSA-N 0 0 454.505 0.359 20 5 JCBDRN COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001193225788 1069494777 /nfs/dbraw/zinc/49/47/77/1069494777.db2.gz STXKCUUVGHKKLP-KRWDZBQOSA-N 0 0 452.489 0.998 20 5 JCBDRN COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001193225790 1069494732 /nfs/dbraw/zinc/49/47/32/1069494732.db2.gz STXKCUUVGHKKLP-QGZVFWFLSA-N 0 0 452.489 0.998 20 5 JCBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[S@](=O)C1 ZINC001193401754 1069501285 /nfs/dbraw/zinc/50/12/85/1069501285.db2.gz ONDCLKPLTQHNOB-HOLBHBGLSA-N 0 0 458.562 0.128 20 5 JCBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[S@@](=O)C1 ZINC001193401755 1069501352 /nfs/dbraw/zinc/50/13/52/1069501352.db2.gz ONDCLKPLTQHNOB-MHTXLSKPSA-N 0 0 458.562 0.128 20 5 JCBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[S@@](=O)C1 ZINC001193401756 1069501273 /nfs/dbraw/zinc/50/12/73/1069501273.db2.gz ONDCLKPLTQHNOB-PEGYKEAPSA-N 0 0 458.562 0.128 20 5 JCBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[S@](=O)C1 ZINC001193401757 1069501385 /nfs/dbraw/zinc/50/13/85/1069501385.db2.gz ONDCLKPLTQHNOB-WNNBVUDTSA-N 0 0 458.562 0.128 20 5 JCBDRN CCOC(=O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001193626867 1069511485 /nfs/dbraw/zinc/51/14/85/1069511485.db2.gz QRVWHDJETGYFJS-QGZVFWFLSA-N 0 0 454.505 0.455 20 5 JCBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C2CC2)O1 ZINC001193974801 1069522697 /nfs/dbraw/zinc/52/26/97/1069522697.db2.gz CPQGZULWIKKWEO-BEFAXECRSA-N 0 0 452.533 0.927 20 5 JCBDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C2CC2)O1 ZINC001193974802 1069522486 /nfs/dbraw/zinc/52/24/86/1069522486.db2.gz CPQGZULWIKKWEO-DNVCBOLYSA-N 0 0 452.533 0.927 20 5 JCBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C2CC2)O1 ZINC001193974804 1069522558 /nfs/dbraw/zinc/52/25/58/1069522558.db2.gz CPQGZULWIKKWEO-HNAYVOBHSA-N 0 0 452.533 0.927 20 5 JCBDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C2CC2)O1 ZINC001193974805 1069522667 /nfs/dbraw/zinc/52/26/67/1069522667.db2.gz CPQGZULWIKKWEO-KXBFYZLASA-N 0 0 452.533 0.927 20 5 JCBDRN Cc1c(CN(C)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cnn1C ZINC001194051481 1069526205 /nfs/dbraw/zinc/52/62/05/1069526205.db2.gz DKXQLABEOXJIKP-UHFFFAOYSA-N 0 0 450.521 0.602 20 5 JCBDRN CCn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC001194859136 1069560117 /nfs/dbraw/zinc/56/01/17/1069560117.db2.gz RYYMFVHEILUZLY-INIZCTEOSA-N 0 0 450.521 0.475 20 5 JCBDRN CCn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC001194859137 1069560199 /nfs/dbraw/zinc/56/01/99/1069560199.db2.gz RYYMFVHEILUZLY-MRXNPFEDSA-N 0 0 450.521 0.475 20 5 JCBDRN O=C(CN1CCOC[C@H]1C1CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001195438806 1069584969 /nfs/dbraw/zinc/58/49/69/1069584969.db2.gz GAVDNOWZACMECG-IBGZPJMESA-N 0 0 452.533 0.929 20 5 JCBDRN O=C(CN1CCOC[C@@H]1C1CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001195438807 1069584789 /nfs/dbraw/zinc/58/47/89/1069584789.db2.gz GAVDNOWZACMECG-LJQANCHMSA-N 0 0 452.533 0.929 20 5 JCBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001195689920 1069596243 /nfs/dbraw/zinc/59/62/43/1069596243.db2.gz XAFQZCFIJIMNDV-GFCCVEGCSA-N 0 0 450.267 0.670 20 5 JCBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001195689921 1069596444 /nfs/dbraw/zinc/59/64/44/1069596444.db2.gz XAFQZCFIJIMNDV-LBPRGKRZSA-N 0 0 450.267 0.670 20 5 JCBDRN CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]2COC[C@H]2O1 ZINC001195704889 1069597568 /nfs/dbraw/zinc/59/75/68/1069597568.db2.gz RIYWYHGTSWDOML-QZTJIDSGSA-N 0 0 468.532 0.306 20 5 JCBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001195873743 1069605961 /nfs/dbraw/zinc/60/59/61/1069605961.db2.gz NDIPEGCZQNXYEO-GOSISDBHSA-N 0 0 450.517 0.987 20 5 JCBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001195873749 1069605915 /nfs/dbraw/zinc/60/59/15/1069605915.db2.gz NDIPEGCZQNXYEO-SFHVURJKSA-N 0 0 450.517 0.987 20 5 JCBDRN 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