smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000159451450 488785291 /nfs/dbraw/zinc/78/52/91/488785291.db2.gz PWAYQRWRMALOIU-UHFFFAOYSA-N 1 2 354.410 0.693 20 70 FCIDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC(C)(CO)CO ZINC000159568783 488786173 /nfs/dbraw/zinc/78/61/73/488786173.db2.gz XTQHNTKYXPHIFM-UHFFFAOYSA-N 1 2 367.837 0.782 20 70 FCIDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC(C)(CO)CO ZINC000159568783 488786174 /nfs/dbraw/zinc/78/61/74/488786174.db2.gz XTQHNTKYXPHIFM-UHFFFAOYSA-N 1 2 367.837 0.782 20 70 FCIDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000159982416 488788276 /nfs/dbraw/zinc/78/82/76/488788276.db2.gz SYFMLAUYIRXTGF-MRXNPFEDSA-N 1 2 355.446 0.824 20 70 FCIDLO Cc1cccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000160300951 488790487 /nfs/dbraw/zinc/79/04/87/488790487.db2.gz FUQNIEONZOZFMT-SFHVURJKSA-N 1 2 359.470 0.834 20 70 FCIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1 ZINC000160355792 488791287 /nfs/dbraw/zinc/79/12/87/488791287.db2.gz HLCOGIZEPBGKAT-UHFFFAOYSA-N 1 2 363.487 0.863 20 70 FCIDLO CC[C@@H](C)[C@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000161215371 488795813 /nfs/dbraw/zinc/79/58/13/488795813.db2.gz VWPTXEOUWJYRAJ-QAPCUYQASA-N 1 2 362.474 0.903 20 70 FCIDLO C[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000160226577 547383396 /nfs/dbraw/zinc/38/33/96/547383396.db2.gz BRGPSNKEMSGCRD-JKSUJKDBSA-N 1 2 372.535 0.449 20 70 FCIDLO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000159450095 488785325 /nfs/dbraw/zinc/78/53/25/488785325.db2.gz ZGJVXSPVUOWUAQ-IUCAKERBSA-N 1 2 366.368 0.866 20 70 FCIDLO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Br)cc1F ZINC000160775700 488793768 /nfs/dbraw/zinc/79/37/68/488793768.db2.gz ZBVFOHHVARAQFZ-XXILOJSOSA-N 1 2 374.210 0.737 20 70 FCIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000160975073 488794515 /nfs/dbraw/zinc/79/45/15/488794515.db2.gz USBDCLYSUDOUCT-OAHLLOKOSA-N 1 2 366.487 0.803 20 70 FCIDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000161255397 488795696 /nfs/dbraw/zinc/79/56/96/488795696.db2.gz VYERPJINAVXNHM-ZFWWWQNUSA-N 1 2 365.396 0.749 20 70 FCIDLO CCS(=O)(=O)c1cccc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000161315990 488796318 /nfs/dbraw/zinc/79/63/18/488796318.db2.gz OJXMVYAEPIBYEJ-HNNXBMFYSA-N 1 2 351.472 0.139 20 70 FCIDLO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161412445 488796828 /nfs/dbraw/zinc/79/68/28/488796828.db2.gz UDMWWGMYCDWORF-DLBZAZTESA-N 1 2 366.506 0.733 20 70 FCIDLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161405785 488796968 /nfs/dbraw/zinc/79/69/68/488796968.db2.gz UPPNYFHMWJFLTP-JSGCOSHPSA-N 1 2 354.476 0.740 20 70 FCIDLO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161433326 488796983 /nfs/dbraw/zinc/79/69/83/488796983.db2.gz RIYUWDXJTOKKGH-CQSZACIVSA-N 1 2 366.425 0.972 20 70 FCIDLO C[N@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)CC(C)(CO)CO ZINC000159529423 488785779 /nfs/dbraw/zinc/78/57/79/488785779.db2.gz ZOJAYDPMGOWSEU-UHFFFAOYSA-N 1 2 350.398 0.759 20 70 FCIDLO C[N@@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)CC(C)(CO)CO ZINC000159529423 488785781 /nfs/dbraw/zinc/78/57/81/488785781.db2.gz ZOJAYDPMGOWSEU-UHFFFAOYSA-N 1 2 350.398 0.759 20 70 FCIDLO CCN(CCS(C)(=O)=O)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159489263 488785930 /nfs/dbraw/zinc/78/59/30/488785930.db2.gz GFNSGHFELNACJQ-INIZCTEOSA-N 1 2 355.504 0.772 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000159662645 488786620 /nfs/dbraw/zinc/78/66/20/488786620.db2.gz CJEXYACLIXNLSC-KBPBESRZSA-N 1 2 371.359 0.977 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000159662645 488786623 /nfs/dbraw/zinc/78/66/23/488786623.db2.gz CJEXYACLIXNLSC-KBPBESRZSA-N 1 2 371.359 0.977 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)C[C@@H]21 ZINC000159679724 488786795 /nfs/dbraw/zinc/78/67/95/488786795.db2.gz WMEGTYBCMHTGHY-KBPBESRZSA-N 1 2 371.359 0.977 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)C[C@@H]21 ZINC000159679724 488786797 /nfs/dbraw/zinc/78/67/97/488786797.db2.gz WMEGTYBCMHTGHY-KBPBESRZSA-N 1 2 371.359 0.977 20 70 FCIDLO Cc1c(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cnn1C ZINC000160512662 488792220 /nfs/dbraw/zinc/79/22/20/488792220.db2.gz UGVSRILJCPYRHF-INIZCTEOSA-N 1 2 353.492 0.736 20 70 FCIDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161226714 488795799 /nfs/dbraw/zinc/79/57/99/488795799.db2.gz PSTKKJILPLIMRD-AWEZNQCLSA-N 1 2 364.490 0.637 20 70 FCIDLO C[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000160226313 547383411 /nfs/dbraw/zinc/38/34/11/547383411.db2.gz BRGPSNKEMSGCRD-HOTGVXAUSA-N 1 2 372.535 0.449 20 70 FCIDLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161405655 208838214 /nfs/dbraw/zinc/83/82/14/208838214.db2.gz UPPNYFHMWJFLTP-GXTWGEPZSA-N 1 2 354.476 0.740 20 70 FCIDLO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)NCCO ZINC000159397849 488785041 /nfs/dbraw/zinc/78/50/41/488785041.db2.gz SHURLQDZHRDOHV-UHFFFAOYSA-N 1 2 374.254 0.814 20 70 FCIDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159443233 488785140 /nfs/dbraw/zinc/78/51/40/488785140.db2.gz XWWZWJKGDKIXDV-HNNXBMFYSA-N 1 2 360.458 0.780 20 70 FCIDLO CN1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000159681373 488786725 /nfs/dbraw/zinc/78/67/25/488786725.db2.gz QDJVQONSRBUFEO-SJORKVTESA-N 1 2 360.458 0.460 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC000159701085 488786861 /nfs/dbraw/zinc/78/68/61/488786861.db2.gz UKKIDJJKLGAQGE-QWHCGFSZSA-N 1 2 355.797 0.750 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC000159701085 488786864 /nfs/dbraw/zinc/78/68/64/488786864.db2.gz UKKIDJJKLGAQGE-QWHCGFSZSA-N 1 2 355.797 0.750 20 70 FCIDLO COCCCS(=O)(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160030753 488788755 /nfs/dbraw/zinc/78/87/55/488788755.db2.gz DKCFTCZCKMRLND-UHFFFAOYSA-N 1 2 352.460 0.818 20 70 FCIDLO CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000161300583 488796085 /nfs/dbraw/zinc/79/60/85/488796085.db2.gz ZCAVNHGMAIYJTQ-AWEZNQCLSA-N 1 2 351.369 0.312 20 70 FCIDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161412175 488796891 /nfs/dbraw/zinc/79/68/91/488796891.db2.gz UDMWWGMYCDWORF-IRXDYDNUSA-N 1 2 366.506 0.733 20 70 FCIDLO CN(CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000161389181 488796936 /nfs/dbraw/zinc/79/69/36/488796936.db2.gz YLDSVXDLGOAKDR-UHFFFAOYSA-N 1 2 359.879 0.876 20 70 FCIDLO Cc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cnn1CCC(C)C ZINC000159715073 533780762 /nfs/dbraw/zinc/78/07/62/533780762.db2.gz YSFDDFGBFZUNKC-UHFFFAOYSA-N 1 2 365.478 0.416 20 70 FCIDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159531407 488785650 /nfs/dbraw/zinc/78/56/50/488785650.db2.gz AOPOXACQDLVYNF-UHFFFAOYSA-N 1 2 372.458 0.894 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccc(Cl)cc3)C[C@@H]21 ZINC000159740162 488787536 /nfs/dbraw/zinc/78/75/36/488787536.db2.gz PEEORKKRISGUPV-LSDHHAIUSA-N 1 2 366.849 0.681 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccc(Cl)cc3)C[C@@H]21 ZINC000159740162 488787539 /nfs/dbraw/zinc/78/75/39/488787539.db2.gz PEEORKKRISGUPV-LSDHHAIUSA-N 1 2 366.849 0.681 20 70 FCIDLO CCC(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000160560418 488792148 /nfs/dbraw/zinc/79/21/48/488792148.db2.gz VRTZHXFUXJKZJB-HNNXBMFYSA-N 1 2 354.495 0.997 20 70 FCIDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCF ZINC000160807916 488793560 /nfs/dbraw/zinc/79/35/60/488793560.db2.gz GAKJHNWWUZKAAL-ZDUSSCGKSA-N 1 2 358.501 0.507 20 70 FCIDLO C[C@H](NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000161113737 488795303 /nfs/dbraw/zinc/79/53/03/488795303.db2.gz RSJVAONSQHAHFV-RLFYNMQTSA-N 1 2 365.478 0.786 20 70 FCIDLO Cc1noc2ncc(S(=O)(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc12 ZINC000160362502 547384343 /nfs/dbraw/zinc/38/43/43/547384343.db2.gz XASMSYNGAYMRRC-LLVKDONJSA-N 1 2 354.432 0.778 20 70 FCIDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159445054 488785414 /nfs/dbraw/zinc/78/54/14/488785414.db2.gz SRJNBRIAOXLLLS-MRXNPFEDSA-N 1 2 360.458 0.924 20 70 FCIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160077922 488789379 /nfs/dbraw/zinc/78/93/79/488789379.db2.gz VGADXXQJHKABAO-UHFFFAOYSA-N 1 2 356.430 0.756 20 70 FCIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160077922 488789382 /nfs/dbraw/zinc/78/93/82/488789382.db2.gz VGADXXQJHKABAO-UHFFFAOYSA-N 1 2 356.430 0.756 20 70 FCIDLO CCn1cc(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000160785064 488793593 /nfs/dbraw/zinc/79/35/93/488793593.db2.gz VCCYDNASIZWZNV-UHFFFAOYSA-N 1 2 356.430 0.549 20 70 FCIDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000161113512 488795124 /nfs/dbraw/zinc/79/51/24/488795124.db2.gz RSJVAONSQHAHFV-HDMKZQKVSA-N 1 2 365.478 0.786 20 70 FCIDLO COC(=O)Cn1cc(CC[NH+]2CCN(C(=O)c3ccccc3)CC2)nn1 ZINC000159505696 208821271 /nfs/dbraw/zinc/82/12/71/208821271.db2.gz RFQFMURCHFXVBA-UHFFFAOYSA-N 1 2 357.414 0.452 20 70 FCIDLO CC(C)CC(=O)NCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000159526916 488785836 /nfs/dbraw/zinc/78/58/36/488785836.db2.gz KCKXAJBSMNXBOG-UHFFFAOYSA-N 1 2 373.461 0.564 20 70 FCIDLO CCC[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000160293594 488790307 /nfs/dbraw/zinc/79/03/07/488790307.db2.gz RRTFNQSQIWSGNK-INIZCTEOSA-N 1 2 362.478 0.809 20 70 FCIDLO C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C[NH+]1CCOCC1 ZINC000160413888 488791428 /nfs/dbraw/zinc/79/14/28/488791428.db2.gz MCNJVBZLNDHITN-LLVKDONJSA-N 1 2 354.432 0.103 20 70 FCIDLO CCC(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000160560557 488791964 /nfs/dbraw/zinc/79/19/64/488791964.db2.gz VRTZHXFUXJKZJB-OAHLLOKOSA-N 1 2 354.495 0.997 20 70 FCIDLO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161178283 488794988 /nfs/dbraw/zinc/79/49/88/488794988.db2.gz UEHYYBJVHVLQDX-OAHLLOKOSA-N 1 2 357.458 0.920 20 70 FCIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877874 488794135 /nfs/dbraw/zinc/79/41/35/488794135.db2.gz NHIBBKFLUZKRMS-AEGPPILISA-N 1 2 357.418 0.448 20 70 FCIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877874 488794137 /nfs/dbraw/zinc/79/41/37/488794137.db2.gz NHIBBKFLUZKRMS-AEGPPILISA-N 1 2 357.418 0.448 20 70 FCIDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)C1 ZINC000161255663 488795821 /nfs/dbraw/zinc/79/58/21/488795821.db2.gz VYERPJINAVXNHM-DZGCQCFKSA-N 1 2 365.396 0.749 20 70 FCIDLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000161456099 488796917 /nfs/dbraw/zinc/79/69/17/488796917.db2.gz SIKXCMYPQFJNTN-CYBMUJFWSA-N 1 2 357.414 0.947 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000159668339 547348730 /nfs/dbraw/zinc/34/87/30/547348730.db2.gz SKIODYFQJXOOPU-HOTGVXAUSA-N 1 2 352.479 0.940 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000159668339 547348736 /nfs/dbraw/zinc/34/87/36/547348736.db2.gz SKIODYFQJXOOPU-HOTGVXAUSA-N 1 2 352.479 0.940 20 70 FCIDLO Cc1noc2ncc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)cc12 ZINC000160818504 229197136 /nfs/dbraw/zinc/19/71/36/229197136.db2.gz OYSQVQNFHUGGMU-UHFFFAOYSA-N 1 2 354.432 0.608 20 70 FCIDLO CCn1c2nnc(C[N@H+](C)CC(C)(CO)CO)n2c2ccccc2c1=O ZINC000159515575 488785920 /nfs/dbraw/zinc/78/59/20/488785920.db2.gz HWWHKDGFMPBXPO-UHFFFAOYSA-N 1 2 359.430 0.487 20 70 FCIDLO CCn1c2nnc(C[N@@H+](C)CC(C)(CO)CO)n2c2ccccc2c1=O ZINC000159515575 488785921 /nfs/dbraw/zinc/78/59/21/488785921.db2.gz HWWHKDGFMPBXPO-UHFFFAOYSA-N 1 2 359.430 0.487 20 70 FCIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000159581559 488786162 /nfs/dbraw/zinc/78/61/62/488786162.db2.gz GQGBQAYQTBFYDW-HNNXBMFYSA-N 1 2 356.430 0.998 20 70 FCIDLO Cc1conc1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160009886 488788804 /nfs/dbraw/zinc/78/88/04/488788804.db2.gz UTBQIYUZUMXNFM-HNNXBMFYSA-N 1 2 358.398 0.939 20 70 FCIDLO Cc1conc1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160009886 488788805 /nfs/dbraw/zinc/78/88/05/488788805.db2.gz UTBQIYUZUMXNFM-HNNXBMFYSA-N 1 2 358.398 0.939 20 70 FCIDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877997 488794187 /nfs/dbraw/zinc/79/41/87/488794187.db2.gz NHIBBKFLUZKRMS-VHDGCEQUSA-N 1 2 357.418 0.448 20 70 FCIDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877997 488794188 /nfs/dbraw/zinc/79/41/88/488794188.db2.gz NHIBBKFLUZKRMS-VHDGCEQUSA-N 1 2 357.418 0.448 20 70 FCIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000160598820 547383921 /nfs/dbraw/zinc/38/39/21/547383921.db2.gz CHNIWXZZWYUVII-GOEBONIOSA-N 1 2 352.479 0.940 20 70 FCIDLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCCNC1=O ZINC000216937670 488441734 /nfs/dbraw/zinc/44/17/34/488441734.db2.gz OBVJFBSVQGFALX-KRWDZBQOSA-N 1 2 361.442 0.540 20 70 FCIDLO CN1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000159681234 488786744 /nfs/dbraw/zinc/78/67/44/488786744.db2.gz QDJVQONSRBUFEO-DLBZAZTESA-N 1 2 360.458 0.460 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccc(Cl)cc3)C[C@@H]21 ZINC000159740023 488787445 /nfs/dbraw/zinc/78/74/45/488787445.db2.gz PEEORKKRISGUPV-GJZGRUSLSA-N 1 2 366.849 0.681 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccc(Cl)cc3)C[C@@H]21 ZINC000159740023 488787447 /nfs/dbraw/zinc/78/74/47/488787447.db2.gz PEEORKKRISGUPV-GJZGRUSLSA-N 1 2 366.849 0.681 20 70 FCIDLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160501395 488791619 /nfs/dbraw/zinc/79/16/19/488791619.db2.gz MQBYHTXWYUVHRT-TZMCWYRMSA-N 1 2 350.444 0.711 20 70 FCIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000160738876 488793074 /nfs/dbraw/zinc/79/30/74/488793074.db2.gz SRTWXJPTLXKOCX-UHFFFAOYSA-N 1 2 359.536 0.830 20 70 FCIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000160738876 488793076 /nfs/dbraw/zinc/79/30/76/488793076.db2.gz SRTWXJPTLXKOCX-UHFFFAOYSA-N 1 2 359.536 0.830 20 70 FCIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC(=O)NCc1ccco1 ZINC000161173150 488795308 /nfs/dbraw/zinc/79/53/08/488795308.db2.gz BOICHRWMRKYOIG-UHFFFAOYSA-N 1 2 357.414 0.818 20 70 FCIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(N3CCC[C@H](CO)C3)nc[nH+]1)CC2 ZINC000161340394 488796180 /nfs/dbraw/zinc/79/61/80/488796180.db2.gz LEVOKDGDDLHVMU-KBPBESRZSA-N 1 2 373.461 0.850 20 70 FCIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(N3CCC[C@H](CO)C3)[nH+]cn1)CC2 ZINC000161340394 488796182 /nfs/dbraw/zinc/79/61/82/488796182.db2.gz LEVOKDGDDLHVMU-KBPBESRZSA-N 1 2 373.461 0.850 20 70 FCIDLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161395986 488796601 /nfs/dbraw/zinc/79/66/01/488796601.db2.gz CGKSTGNPWRQVJO-GZBFAFLISA-N 1 2 354.476 0.740 20 70 FCIDLO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161155245 208835681 /nfs/dbraw/zinc/83/56/81/208835681.db2.gz XIXSSQKMGDDQMT-UHFFFAOYSA-N 1 2 353.426 0.937 20 70 FCIDLO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159456170 488785319 /nfs/dbraw/zinc/78/53/19/488785319.db2.gz PRVKEOVACDNGHV-KRWDZBQOSA-N 1 2 371.437 0.881 20 70 FCIDLO CN1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000159681097 488787011 /nfs/dbraw/zinc/78/70/11/488787011.db2.gz QDJVQONSRBUFEO-IRXDYDNUSA-N 1 2 360.458 0.460 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000159673324 488787020 /nfs/dbraw/zinc/78/70/20/488787020.db2.gz JEQLKYWQZABQRX-GXSJLCMTSA-N 1 2 372.219 0.313 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000159673324 488787022 /nfs/dbraw/zinc/78/70/22/488787022.db2.gz JEQLKYWQZABQRX-GXSJLCMTSA-N 1 2 372.219 0.313 20 70 FCIDLO Cc1c(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cnn1C ZINC000160295954 488790394 /nfs/dbraw/zinc/79/03/94/488790394.db2.gz PLDMZBHWIPRFGB-UHFFFAOYSA-N 1 2 358.450 0.140 20 70 FCIDLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c[nH+]c2ccc(C)cn12 ZINC000160611463 488792741 /nfs/dbraw/zinc/79/27/41/488792741.db2.gz IMLSUNJKMZMJNC-CQSZACIVSA-N 1 2 364.471 0.768 20 70 FCIDLO O=C(NCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccn[nH]1 ZINC000161172305 488795327 /nfs/dbraw/zinc/79/53/27/488795327.db2.gz HMYSYJZFONEFBM-UHFFFAOYSA-N 1 2 357.418 0.062 20 70 FCIDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000161255279 488795701 /nfs/dbraw/zinc/79/57/01/488795701.db2.gz VYERPJINAVXNHM-HIFRSBDPSA-N 1 2 365.396 0.749 20 70 FCIDLO Cc1noc2ncc(S(=O)(=O)NC[C@H](C)C[NH+]3CCOCC3)cc12 ZINC000160362627 547384319 /nfs/dbraw/zinc/38/43/19/547384319.db2.gz XASMSYNGAYMRRC-NSHDSACASA-N 1 2 354.432 0.778 20 70 FCIDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)CC(C)(CO)CO)n12 ZINC000159574933 488786365 /nfs/dbraw/zinc/78/63/65/488786365.db2.gz VNSVZTKRVAIAIR-UHFFFAOYSA-N 1 2 359.430 0.312 20 70 FCIDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)CC(C)(CO)CO)n12 ZINC000159574933 488786368 /nfs/dbraw/zinc/78/63/68/488786368.db2.gz VNSVZTKRVAIAIR-UHFFFAOYSA-N 1 2 359.430 0.312 20 70 FCIDLO O=C(CNC(=O)Cc1ccc(F)cc1Cl)NCC[NH+]1CCOCC1 ZINC000159904783 488787819 /nfs/dbraw/zinc/78/78/19/488787819.db2.gz LWJJIVRNGWUVQN-UHFFFAOYSA-N 1 2 357.813 0.586 20 70 FCIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000160818109 488793883 /nfs/dbraw/zinc/79/38/83/488793883.db2.gz JHOQFYQFJIAVFT-UHFFFAOYSA-N 1 2 364.471 0.950 20 70 FCIDLO C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)Oc1ccccc1Br ZINC000161145495 488795205 /nfs/dbraw/zinc/79/52/05/488795205.db2.gz GHDTWRNTGUXTSN-LLVKDONJSA-N 1 2 370.247 0.764 20 70 FCIDLO Cc1conc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000161156923 488795232 /nfs/dbraw/zinc/79/52/32/488795232.db2.gz ROPSQZFWONRHKN-MRXNPFEDSA-N 1 2 372.425 0.981 20 70 FCIDLO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161178164 488795254 /nfs/dbraw/zinc/79/52/54/488795254.db2.gz UEHYYBJVHVLQDX-HNNXBMFYSA-N 1 2 357.458 0.920 20 70 FCIDLO CC[C@H](C)[C@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000161215486 488795606 /nfs/dbraw/zinc/79/56/06/488795606.db2.gz VWPTXEOUWJYRAJ-YJBOKZPZSA-N 1 2 362.474 0.903 20 70 FCIDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159445203 488785229 /nfs/dbraw/zinc/78/52/29/488785229.db2.gz SRJNBRIAOXLLLS-INIZCTEOSA-N 1 2 360.458 0.924 20 70 FCIDLO CCCCn1c2nc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)n(C)c2c(=O)[nH]c1=O ZINC000159504898 488785728 /nfs/dbraw/zinc/78/57/28/488785728.db2.gz LHZSZYJBPCPFKZ-OLZOCXBDSA-N 1 2 363.462 0.816 20 70 FCIDLO CCCCn1c2nc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)n(C)c2c(=O)[nH]c1=O ZINC000159504898 488785731 /nfs/dbraw/zinc/78/57/31/488785731.db2.gz LHZSZYJBPCPFKZ-OLZOCXBDSA-N 1 2 363.462 0.816 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)C[C@@H]21 ZINC000159665943 488786963 /nfs/dbraw/zinc/78/69/63/488786963.db2.gz GRXLUGJFMFHTAP-LSDHHAIUSA-N 1 2 350.394 0.166 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)C[C@@H]21 ZINC000159665943 488786964 /nfs/dbraw/zinc/78/69/64/488786964.db2.gz GRXLUGJFMFHTAP-LSDHHAIUSA-N 1 2 350.394 0.166 20 70 FCIDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000159982551 488788226 /nfs/dbraw/zinc/78/82/26/488788226.db2.gz SYFMLAUYIRXTGF-INIZCTEOSA-N 1 2 355.446 0.824 20 70 FCIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(CC)nn(C)c2Cl)CC1 ZINC000160077376 488789270 /nfs/dbraw/zinc/78/92/70/488789270.db2.gz ACNNHJBEYDDQCQ-UHFFFAOYSA-N 1 2 355.870 0.920 20 70 FCIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(CC)nn(C)c2Cl)CC1 ZINC000160077376 488789271 /nfs/dbraw/zinc/78/92/71/488789271.db2.gz ACNNHJBEYDDQCQ-UHFFFAOYSA-N 1 2 355.870 0.920 20 70 FCIDLO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160501757 488791363 /nfs/dbraw/zinc/79/13/63/488791363.db2.gz MQBYHTXWYUVHRT-JSGCOSHPSA-N 1 2 350.444 0.711 20 70 FCIDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)C1 ZINC000161255509 488795765 /nfs/dbraw/zinc/79/57/65/488795765.db2.gz VYERPJINAVXNHM-UKRRQHHQSA-N 1 2 365.396 0.749 20 70 FCIDLO CC[C@H](C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000161215732 488795912 /nfs/dbraw/zinc/79/59/12/488795912.db2.gz VWPTXEOUWJYRAJ-MAUKXSAKSA-N 1 2 362.474 0.903 20 70 FCIDLO CCS(=O)(=O)c1cccc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000161315860 208835876 /nfs/dbraw/zinc/83/58/76/208835876.db2.gz OJXMVYAEPIBYEJ-OAHLLOKOSA-N 1 2 351.472 0.139 20 70 FCIDLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCCNC1=O ZINC000216937653 488441955 /nfs/dbraw/zinc/44/19/55/488441955.db2.gz OBVJFBSVQGFALX-QGZVFWFLSA-N 1 2 361.442 0.540 20 70 FCIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000159435635 488785330 /nfs/dbraw/zinc/78/53/30/488785330.db2.gz HORAEWKVWYOHLO-RUZDIDTESA-N 1 2 359.451 0.941 20 70 FCIDLO Cc1cnccc1CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159618430 488786386 /nfs/dbraw/zinc/78/63/86/488786386.db2.gz VZFXYWPRHIRZSL-UHFFFAOYSA-N 1 2 369.473 0.844 20 70 FCIDLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160901036 488793998 /nfs/dbraw/zinc/79/39/98/488793998.db2.gz VFGVNFIXSKXJIJ-CRAIPNDOSA-N 1 2 365.449 0.946 20 70 FCIDLO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000161420480 488796713 /nfs/dbraw/zinc/79/67/13/488796713.db2.gz ICUCDZGQEZHMBR-AWEZNQCLSA-N 1 2 355.398 0.938 20 70 FCIDLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cn1 ZINC000161499134 488797461 /nfs/dbraw/zinc/79/74/61/488797461.db2.gz ZMONPTHPDDBMLO-GFCCVEGCSA-N 1 2 370.397 0.334 20 70 FCIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N(CCO)CC[NH+]1CCOCC1 ZINC000160914057 547385182 /nfs/dbraw/zinc/38/51/82/547385182.db2.gz HLCNBNXADOUZJF-UHFFFAOYSA-N 1 2 365.356 0.604 20 70 FCIDLO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000160188208 488789731 /nfs/dbraw/zinc/78/97/31/488789731.db2.gz GUTAPRKNPARBQG-CQSZACIVSA-N 1 2 371.441 0.956 20 70 FCIDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000160634770 488792715 /nfs/dbraw/zinc/79/27/15/488792715.db2.gz WNBULKRQQRCCSR-UHFFFAOYSA-N 1 2 366.491 0.699 20 70 FCIDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000160743396 488793554 /nfs/dbraw/zinc/79/35/54/488793554.db2.gz KCAPZFIWGTUEJI-AWEZNQCLSA-N 1 2 371.445 0.666 20 70 FCIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC(=O)NCC(F)(F)F ZINC000161217722 488795882 /nfs/dbraw/zinc/79/58/82/488795882.db2.gz ADNMCBDEBXJBQH-UHFFFAOYSA-N 1 2 359.352 0.587 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000159673205 488786687 /nfs/dbraw/zinc/78/66/87/488786687.db2.gz JEQLKYWQZABQRX-ONGXEEELSA-N 1 2 372.219 0.313 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@H]21 ZINC000159673205 488786690 /nfs/dbraw/zinc/78/66/90/488786690.db2.gz JEQLKYWQZABQRX-ONGXEEELSA-N 1 2 372.219 0.313 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000159662801 488786712 /nfs/dbraw/zinc/78/67/12/488786712.db2.gz CJEXYACLIXNLSC-UONOGXRCSA-N 1 2 371.359 0.977 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000159662801 488786714 /nfs/dbraw/zinc/78/67/14/488786714.db2.gz CJEXYACLIXNLSC-UONOGXRCSA-N 1 2 371.359 0.977 20 70 FCIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000160974941 488794463 /nfs/dbraw/zinc/79/44/63/488794463.db2.gz USBDCLYSUDOUCT-HNNXBMFYSA-N 1 2 366.487 0.803 20 70 FCIDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccccc1CO ZINC000161138203 488795228 /nfs/dbraw/zinc/79/52/28/488795228.db2.gz SJGLORNKUFWCKK-UHFFFAOYSA-N 1 2 370.457 0.590 20 70 FCIDLO CN(CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ncnc2nc[nH]c21 ZINC000161301745 488796465 /nfs/dbraw/zinc/79/64/65/488796465.db2.gz JLSUZCGKBROIRS-GFCCVEGCSA-N 1 2 352.402 0.579 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)C[C@@H]21 ZINC000159679864 488787046 /nfs/dbraw/zinc/78/70/46/488787046.db2.gz WMEGTYBCMHTGHY-UONOGXRCSA-N 1 2 371.359 0.977 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3C(F)(F)F)C[C@@H]21 ZINC000159679864 488787047 /nfs/dbraw/zinc/78/70/47/488787047.db2.gz WMEGTYBCMHTGHY-UONOGXRCSA-N 1 2 371.359 0.977 20 70 FCIDLO CCCCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000159796299 488787394 /nfs/dbraw/zinc/78/73/94/488787394.db2.gz LGWAVNNUYBXQKD-XHSDSOJGSA-N 1 2 360.520 0.895 20 70 FCIDLO CCCCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000159796299 488787395 /nfs/dbraw/zinc/78/73/95/488787395.db2.gz LGWAVNNUYBXQKD-XHSDSOJGSA-N 1 2 360.520 0.895 20 70 FCIDLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160501650 488791379 /nfs/dbraw/zinc/79/13/79/488791379.db2.gz MQBYHTXWYUVHRT-GXTWGEPZSA-N 1 2 350.444 0.711 20 70 FCIDLO Cc1c(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cnn1C ZINC000160512528 488792052 /nfs/dbraw/zinc/79/20/52/488792052.db2.gz UGVSRILJCPYRHF-MRXNPFEDSA-N 1 2 353.492 0.736 20 70 FCIDLO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000161456006 488796986 /nfs/dbraw/zinc/79/69/86/488796986.db2.gz SIKXCMYPQFJNTN-ZDUSSCGKSA-N 1 2 357.414 0.947 20 70 FCIDLO CCCCn1c2nc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)n(C)c2c(=O)[nH]c1=O ZINC000159504764 488785718 /nfs/dbraw/zinc/78/57/18/488785718.db2.gz LHZSZYJBPCPFKZ-STQMWFEESA-N 1 2 363.462 0.816 20 70 FCIDLO CCCCn1c2nc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)n(C)c2c(=O)[nH]c1=O ZINC000159504764 488785722 /nfs/dbraw/zinc/78/57/22/488785722.db2.gz LHZSZYJBPCPFKZ-STQMWFEESA-N 1 2 363.462 0.816 20 70 FCIDLO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161214984 488795361 /nfs/dbraw/zinc/79/53/61/488795361.db2.gz LFWWCNKOZRLBEN-QGZVFWFLSA-N 1 2 362.474 0.903 20 70 FCIDLO O=C(CN1CC(=O)NC1=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161394814 488796735 /nfs/dbraw/zinc/79/67/35/488796735.db2.gz QZLVGZSADNGCCU-UHFFFAOYSA-N 1 2 350.806 0.536 20 70 FCIDLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000161420607 488796971 /nfs/dbraw/zinc/79/69/71/488796971.db2.gz ICUCDZGQEZHMBR-CQSZACIVSA-N 1 2 355.398 0.938 20 70 FCIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000159435741 488785398 /nfs/dbraw/zinc/78/53/98/488785398.db2.gz HORAEWKVWYOHLO-VWLOTQADSA-N 1 2 359.451 0.941 20 70 FCIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159581421 488786185 /nfs/dbraw/zinc/78/61/85/488786185.db2.gz GQGBQAYQTBFYDW-OAHLLOKOSA-N 1 2 356.430 0.998 20 70 FCIDLO CCS(=O)(=O)CCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159573028 488786329 /nfs/dbraw/zinc/78/63/29/488786329.db2.gz LXSMXFHRLKLJMV-INIZCTEOSA-N 1 2 355.504 0.772 20 70 FCIDLO COCC[NH+]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000160040073 488788779 /nfs/dbraw/zinc/78/87/79/488788779.db2.gz KPYVXQAGAMDGMV-UHFFFAOYSA-N 1 2 350.394 0.760 20 70 FCIDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203375 488789745 /nfs/dbraw/zinc/78/97/45/488789745.db2.gz YLLBGVHZPUMOAN-AWEZNQCLSA-N 1 2 364.446 0.411 20 70 FCIDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203375 488789748 /nfs/dbraw/zinc/78/97/48/488789748.db2.gz YLLBGVHZPUMOAN-AWEZNQCLSA-N 1 2 364.446 0.411 20 70 FCIDLO CCc1n[nH]c(=O)c(CNC(=O)N(C)CC[NH+]2CCOCC2)c1CC ZINC000160290623 488790315 /nfs/dbraw/zinc/79/03/15/488790315.db2.gz OYNDVKYIHNWJLX-UHFFFAOYSA-N 1 2 351.451 0.368 20 70 FCIDLO Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc12 ZINC000160374792 488790799 /nfs/dbraw/zinc/79/07/99/488790799.db2.gz VYLBLVXGWWJBTM-GFCCVEGCSA-N 1 2 367.475 0.523 20 70 FCIDLO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Br)cc1F ZINC000160775969 488793567 /nfs/dbraw/zinc/79/35/67/488793567.db2.gz ZBVFOHHVARAQFZ-GGZOMVNGSA-N 1 2 374.210 0.737 20 70 FCIDLO NC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Br)cc1F ZINC000160775837 488793620 /nfs/dbraw/zinc/79/36/20/488793620.db2.gz ZBVFOHHVARAQFZ-FXAINCCUSA-N 1 2 374.210 0.737 20 70 FCIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877603 488794154 /nfs/dbraw/zinc/79/41/54/488794154.db2.gz NHIBBKFLUZKRMS-NWANDNLSSA-N 1 2 357.418 0.448 20 70 FCIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1nnnn1-c1ccccc1 ZINC000160877603 488794155 /nfs/dbraw/zinc/79/41/55/488794155.db2.gz NHIBBKFLUZKRMS-NWANDNLSSA-N 1 2 357.418 0.448 20 70 FCIDLO COC(=O)[C@@H](c1cccnc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000161027114 488794493 /nfs/dbraw/zinc/79/44/93/488794493.db2.gz DTHMNKQKAQYUKJ-GOSISDBHSA-N 1 2 360.458 0.926 20 70 FCIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161226821 488795876 /nfs/dbraw/zinc/79/58/76/488795876.db2.gz PSTKKJILPLIMRD-CQSZACIVSA-N 1 2 364.490 0.637 20 70 FCIDLO CN(C[C@H]1CCC[C@H]1O)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161412543 488796702 /nfs/dbraw/zinc/79/67/02/488796702.db2.gz UDMWWGMYCDWORF-IAGOWNOFSA-N 1 2 366.506 0.733 20 70 FCIDLO CCS(=O)(=O)CCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159573172 488786514 /nfs/dbraw/zinc/78/65/14/488786514.db2.gz LXSMXFHRLKLJMV-MRXNPFEDSA-N 1 2 355.504 0.772 20 70 FCIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)N1CCOCC1 ZINC000160355018 488791159 /nfs/dbraw/zinc/79/11/59/488791159.db2.gz CXGRDOXBOAUHEG-UHFFFAOYSA-N 1 2 368.503 0.317 20 70 FCIDLO NC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Br)cc1F ZINC000160775565 488793762 /nfs/dbraw/zinc/79/37/62/488793762.db2.gz ZBVFOHHVARAQFZ-AXTRIDKLSA-N 1 2 374.210 0.737 20 70 FCIDLO O=C(Nc1cnn(CC(F)(F)F)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000160903518 547385316 /nfs/dbraw/zinc/38/53/16/547385316.db2.gz RAJQIZHUZWMNPV-UHFFFAOYSA-N 1 2 365.356 0.604 20 70 FCIDLO CCN(CCS(C)(=O)=O)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159489399 488785576 /nfs/dbraw/zinc/78/55/76/488785576.db2.gz GFNSGHFELNACJQ-MRXNPFEDSA-N 1 2 355.504 0.772 20 70 FCIDLO CCC[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000160293487 488790499 /nfs/dbraw/zinc/79/04/99/488790499.db2.gz RRTFNQSQIWSGNK-MRXNPFEDSA-N 1 2 362.478 0.809 20 70 FCIDLO Cc1cccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000160300840 488790504 /nfs/dbraw/zinc/79/05/04/488790504.db2.gz FUQNIEONZOZFMT-GOSISDBHSA-N 1 2 359.470 0.834 20 70 FCIDLO Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H](C)C[NH+]3CCOCC3)cc12 ZINC000160374925 488791250 /nfs/dbraw/zinc/79/12/50/488791250.db2.gz VYLBLVXGWWJBTM-LBPRGKRZSA-N 1 2 367.475 0.523 20 70 FCIDLO O=C(NCCCn1cc[nH+]c1)NCCNS(=O)(=O)c1cccs1 ZINC000160889256 488794267 /nfs/dbraw/zinc/79/42/67/488794267.db2.gz XTEXKUVZCRYDME-UHFFFAOYSA-N 1 2 357.461 0.612 20 70 FCIDLO COC(=O)[C@H](c1cccnc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000161027218 488794500 /nfs/dbraw/zinc/79/45/00/488794500.db2.gz DTHMNKQKAQYUKJ-SFHVURJKSA-N 1 2 360.458 0.926 20 70 FCIDLO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161118039 488795261 /nfs/dbraw/zinc/79/52/61/488795261.db2.gz OKKZVCOWOJMQQK-HNNXBMFYSA-N 1 2 370.519 0.964 20 70 FCIDLO CCC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000161118039 488795263 /nfs/dbraw/zinc/79/52/63/488795263.db2.gz OKKZVCOWOJMQQK-HNNXBMFYSA-N 1 2 370.519 0.964 20 70 FCIDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161228665 488795725 /nfs/dbraw/zinc/79/57/25/488795725.db2.gz WMTAQLHWOPTCPR-HNNXBMFYSA-N 1 2 367.412 0.995 20 70 FCIDLO CN(CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ncnc2nc[nH]c21 ZINC000161301853 488796455 /nfs/dbraw/zinc/79/64/55/488796455.db2.gz JLSUZCGKBROIRS-LBPRGKRZSA-N 1 2 352.402 0.579 20 70 FCIDLO O=C(NCCCN1C(=O)c2ccccc2C1=O)NCC[NH+]1CCOCC1 ZINC000217306088 209340116 /nfs/dbraw/zinc/34/01/16/209340116.db2.gz SAFQYEWMRIZWPJ-UHFFFAOYSA-N 1 2 360.414 0.304 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)C[C@@H]21 ZINC000159665807 488786966 /nfs/dbraw/zinc/78/69/66/488786966.db2.gz GRXLUGJFMFHTAP-GJZGRUSLSA-N 1 2 350.394 0.166 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)C[C@@H]21 ZINC000159665807 488786967 /nfs/dbraw/zinc/78/69/67/488786967.db2.gz GRXLUGJFMFHTAP-GJZGRUSLSA-N 1 2 350.394 0.166 20 70 FCIDLO Cc1conc1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160009740 488788906 /nfs/dbraw/zinc/78/89/06/488788906.db2.gz UTBQIYUZUMXNFM-OAHLLOKOSA-N 1 2 358.398 0.939 20 70 FCIDLO Cc1conc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160009740 488788908 /nfs/dbraw/zinc/78/89/08/488788908.db2.gz UTBQIYUZUMXNFM-OAHLLOKOSA-N 1 2 358.398 0.939 20 70 FCIDLO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000160501520 488791367 /nfs/dbraw/zinc/79/13/67/488791367.db2.gz MQBYHTXWYUVHRT-OCCSQVGLSA-N 1 2 350.444 0.711 20 70 FCIDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000160743282 488793147 /nfs/dbraw/zinc/79/31/47/488793147.db2.gz KCAPZFIWGTUEJI-CQSZACIVSA-N 1 2 371.445 0.666 20 70 FCIDLO C[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000160226440 547383422 /nfs/dbraw/zinc/38/34/22/547383422.db2.gz BRGPSNKEMSGCRD-HZPDHXFCSA-N 1 2 372.535 0.449 20 70 FCIDLO C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(F)c1F ZINC000159450201 488785118 /nfs/dbraw/zinc/78/51/18/488785118.db2.gz ZGJVXSPVUOWUAQ-BDAKNGLRSA-N 1 2 366.368 0.866 20 70 FCIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC000159700949 488786657 /nfs/dbraw/zinc/78/66/57/488786657.db2.gz UKKIDJJKLGAQGE-STQMWFEESA-N 1 2 355.797 0.750 20 70 FCIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3c(F)cccc3Cl)C[C@@H]21 ZINC000159700949 488786659 /nfs/dbraw/zinc/78/66/59/488786659.db2.gz UKKIDJJKLGAQGE-STQMWFEESA-N 1 2 355.797 0.750 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000159668486 488786678 /nfs/dbraw/zinc/78/66/78/488786678.db2.gz SKIODYFQJXOOPU-JKSUJKDBSA-N 1 2 352.479 0.940 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CCCNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000159668486 488786681 /nfs/dbraw/zinc/78/66/81/488786681.db2.gz SKIODYFQJXOOPU-JKSUJKDBSA-N 1 2 352.479 0.940 20 70 FCIDLO O=S(=O)(Cc1ccon1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160820612 488793720 /nfs/dbraw/zinc/79/37/20/488793720.db2.gz LIAPSLMOVUQHSP-UHFFFAOYSA-N 1 2 361.427 0.970 20 70 FCIDLO Cc1conc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000161156803 488795189 /nfs/dbraw/zinc/79/51/89/488795189.db2.gz ROPSQZFWONRHKN-INIZCTEOSA-N 1 2 372.425 0.981 20 70 FCIDLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161395714 488796964 /nfs/dbraw/zinc/79/69/64/488796964.db2.gz CGKSTGNPWRQVJO-GUTXKFCHSA-N 1 2 354.476 0.740 20 70 FCIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159651813 488786314 /nfs/dbraw/zinc/78/63/14/488786314.db2.gz QLLQAPFLZUQFFX-TUKIKUTGSA-N 1 2 351.834 1.000 20 70 FCIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159651813 488786316 /nfs/dbraw/zinc/78/63/16/488786316.db2.gz QLLQAPFLZUQFFX-TUKIKUTGSA-N 1 2 351.834 1.000 20 70 FCIDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160900902 488794124 /nfs/dbraw/zinc/79/41/24/488794124.db2.gz VFGVNFIXSKXJIJ-MAUKXSAKSA-N 1 2 365.449 0.946 20 70 FCIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCC(=O)N1CCCC1 ZINC000161272172 488795673 /nfs/dbraw/zinc/79/56/73/488795673.db2.gz UTTDEUOKSHVCEC-AWEZNQCLSA-N 1 2 351.369 0.360 20 70 FCIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000161235262 488795769 /nfs/dbraw/zinc/79/57/69/488795769.db2.gz ZSBIYZXGIPDQGN-UHFFFAOYSA-N 1 2 351.432 0.446 20 70 FCIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000161235262 488795770 /nfs/dbraw/zinc/79/57/70/488795770.db2.gz ZSBIYZXGIPDQGN-UHFFFAOYSA-N 1 2 351.432 0.446 20 70 FCIDLO Cc1conc1NC(=O)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160354478 534755048 /nfs/dbraw/zinc/75/50/48/534755048.db2.gz DUHWKBXAIUCPSZ-UHFFFAOYSA-N 1 2 368.397 0.914 20 70 FCIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159651511 488786471 /nfs/dbraw/zinc/78/64/71/488786471.db2.gz QLLQAPFLZUQFFX-NILFDRSVSA-N 1 2 351.834 1.000 20 70 FCIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159651511 488786472 /nfs/dbraw/zinc/78/64/72/488786472.db2.gz QLLQAPFLZUQFFX-NILFDRSVSA-N 1 2 351.834 1.000 20 70 FCIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 ZINC000160034138 488789008 /nfs/dbraw/zinc/78/90/08/488789008.db2.gz JCQUFNVJKQMPKZ-UHFFFAOYSA-N 1 2 370.457 0.860 20 70 FCIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 ZINC000160034138 488789010 /nfs/dbraw/zinc/78/90/10/488789010.db2.gz JCQUFNVJKQMPKZ-UHFFFAOYSA-N 1 2 370.457 0.860 20 70 FCIDLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000160069077 488789191 /nfs/dbraw/zinc/78/91/91/488789191.db2.gz UXQTXNAKLKPIKJ-KRWDZBQOSA-N 1 2 356.488 0.574 20 70 FCIDLO O=C(CNC(=O)CC1CCCC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000160564595 488792257 /nfs/dbraw/zinc/79/22/57/488792257.db2.gz MIIAOKKOOJBRGH-UHFFFAOYSA-N 1 2 374.489 0.411 20 70 FCIDLO CC(C)CC(=O)NCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000160994562 488794625 /nfs/dbraw/zinc/79/46/25/488794625.db2.gz VXKQTROGQCBNEL-UHFFFAOYSA-N 1 2 362.478 0.267 20 70 FCIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCCCN1CCCC1=O ZINC000161169605 488794931 /nfs/dbraw/zinc/79/49/31/488794931.db2.gz SDFPMHCKRNWWAB-UHFFFAOYSA-N 1 2 359.474 0.328 20 70 FCIDLO O=C(CN1CCC(=O)NC1=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161337316 488796289 /nfs/dbraw/zinc/79/62/89/488796289.db2.gz GSLORHFUZZWZII-UHFFFAOYSA-N 1 2 364.833 0.926 20 70 FCIDLO C[N@@H+]1CCO[C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)C[C@@H]21 ZINC000161465767 488797400 /nfs/dbraw/zinc/79/74/00/488797400.db2.gz SFAMHJZXARLEAA-MJBXVCDLSA-N 1 2 354.248 0.990 20 70 FCIDLO C[N@H+]1CCO[C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)C[C@@H]21 ZINC000161465767 488797401 /nfs/dbraw/zinc/79/74/01/488797401.db2.gz SFAMHJZXARLEAA-MJBXVCDLSA-N 1 2 354.248 0.990 20 70 FCIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000160599207 547383950 /nfs/dbraw/zinc/38/39/50/547383950.db2.gz CHNIWXZZWYUVII-ZBFHGGJFSA-N 1 2 352.479 0.940 20 70 FCIDLO O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2[nH]1 ZINC000159366258 488784828 /nfs/dbraw/zinc/78/48/28/488784828.db2.gz MHBGFDNMWOTUDZ-NSHDSACASA-N 1 2 359.411 0.808 20 70 FCIDLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000160068949 488789244 /nfs/dbraw/zinc/78/92/44/488789244.db2.gz UXQTXNAKLKPIKJ-QGZVFWFLSA-N 1 2 356.488 0.574 20 70 FCIDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCF ZINC000160807789 488793742 /nfs/dbraw/zinc/79/37/42/488793742.db2.gz GAKJHNWWUZKAAL-CYBMUJFWSA-N 1 2 358.501 0.507 20 70 FCIDLO NS(=O)(=O)CC[NH+]1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000160949994 488794303 /nfs/dbraw/zinc/79/43/03/488794303.db2.gz WBBDYCFTAWBDCO-UHFFFAOYSA-N 1 2 357.461 0.204 20 70 FCIDLO COCc1nc2n(n1)C[C@H](Nc1cc(N3CCC[C@H](CO)C3)nc[nH+]1)CC2 ZINC000161340302 488796306 /nfs/dbraw/zinc/79/63/06/488796306.db2.gz LEVOKDGDDLHVMU-UONOGXRCSA-N 1 2 373.461 0.850 20 70 FCIDLO COCc1nc2n(n1)C[C@H](Nc1cc(N3CCC[C@H](CO)C3)[nH+]cn1)CC2 ZINC000161340302 488796308 /nfs/dbraw/zinc/79/63/08/488796308.db2.gz LEVOKDGDDLHVMU-UONOGXRCSA-N 1 2 373.461 0.850 20 70 FCIDLO CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)Cc1ccc(OC)cc1 ZINC000161424136 488796885 /nfs/dbraw/zinc/79/68/85/488796885.db2.gz LGQJATHTKMQMTL-UHFFFAOYSA-N 1 2 357.414 0.991 20 70 FCIDLO CC[N@@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)Cc1ccc(OC)cc1 ZINC000161424136 488796887 /nfs/dbraw/zinc/79/68/87/488796887.db2.gz LGQJATHTKMQMTL-UHFFFAOYSA-N 1 2 357.414 0.991 20 70 FCIDLO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159456005 208819872 /nfs/dbraw/zinc/81/98/72/208819872.db2.gz PRVKEOVACDNGHV-QGZVFWFLSA-N 1 2 371.437 0.881 20 70 FCIDLO C[NH+](C)[C@H](CNC(=O)CN(CCS(C)(=O)=O)C1CC1)c1ccccc1 ZINC000159493812 208822648 /nfs/dbraw/zinc/82/26/48/208822648.db2.gz VGXBGBDYDBFOLT-QGZVFWFLSA-N 1 2 367.515 0.915 20 70 FCIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000159362073 488784675 /nfs/dbraw/zinc/78/46/75/488784675.db2.gz NONGUFMWBPTZQF-ZIAGYGMSSA-N 1 2 363.443 0.797 20 70 FCIDLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000159450346 488785411 /nfs/dbraw/zinc/78/54/11/488785411.db2.gz ZGJVXSPVUOWUAQ-DTWKUNHWSA-N 1 2 366.368 0.866 20 70 FCIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159651959 488786447 /nfs/dbraw/zinc/78/64/47/488786447.db2.gz QLLQAPFLZUQFFX-BYCMXARLSA-N 1 2 351.834 1.000 20 70 FCIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159651959 488786448 /nfs/dbraw/zinc/78/64/48/488786448.db2.gz QLLQAPFLZUQFFX-BYCMXARLSA-N 1 2 351.834 1.000 20 70 FCIDLO CCCCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159796406 488787312 /nfs/dbraw/zinc/78/73/12/488787312.db2.gz LGWAVNNUYBXQKD-JYJNAYRXSA-N 1 2 360.520 0.895 20 70 FCIDLO CCCCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159796406 488787313 /nfs/dbraw/zinc/78/73/13/488787313.db2.gz LGWAVNNUYBXQKD-JYJNAYRXSA-N 1 2 360.520 0.895 20 70 FCIDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCn3cccc3)c2)CC1 ZINC000160140148 488789417 /nfs/dbraw/zinc/78/94/17/488789417.db2.gz WIMQMIDZTKULRN-UHFFFAOYSA-N 1 2 369.469 0.990 20 70 FCIDLO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161117929 488795134 /nfs/dbraw/zinc/79/51/34/488795134.db2.gz OKKZVCOWOJMQQK-OAHLLOKOSA-N 1 2 370.519 0.964 20 70 FCIDLO CCC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161117929 488795137 /nfs/dbraw/zinc/79/51/37/488795137.db2.gz OKKZVCOWOJMQQK-OAHLLOKOSA-N 1 2 370.519 0.964 20 70 FCIDLO CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000161300700 488796119 /nfs/dbraw/zinc/79/61/19/488796119.db2.gz ZCAVNHGMAIYJTQ-CQSZACIVSA-N 1 2 351.369 0.312 20 70 FCIDLO O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2[nH]1 ZINC000159366366 488784697 /nfs/dbraw/zinc/78/46/97/488784697.db2.gz MHBGFDNMWOTUDZ-LLVKDONJSA-N 1 2 359.411 0.808 20 70 FCIDLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160044349 488788786 /nfs/dbraw/zinc/78/87/86/488788786.db2.gz ODZHNKRQACFOFG-OAHLLOKOSA-N 1 2 362.455 0.681 20 70 FCIDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161228790 488795665 /nfs/dbraw/zinc/79/56/65/488795665.db2.gz WMTAQLHWOPTCPR-OAHLLOKOSA-N 1 2 367.412 0.995 20 70 FCIDLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cn1 ZINC000161499020 488797364 /nfs/dbraw/zinc/79/73/64/488797364.db2.gz ZMONPTHPDDBMLO-LBPRGKRZSA-N 1 2 370.397 0.334 20 70 FCIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000160599070 547384303 /nfs/dbraw/zinc/38/43/03/547384303.db2.gz CHNIWXZZWYUVII-HOCLYGCPSA-N 1 2 352.479 0.940 20 70 FCIDLO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000159450482 488785423 /nfs/dbraw/zinc/78/54/23/488785423.db2.gz ZGJVXSPVUOWUAQ-RKDXNWHRSA-N 1 2 366.368 0.866 20 70 FCIDLO Cn1c2nnc(C[N@@H+](C)CC(C)(CO)CO)n2c2ccsc2c1=O ZINC000159554662 488786177 /nfs/dbraw/zinc/78/61/77/488786177.db2.gz SPDQJURQRSTBQP-UHFFFAOYSA-N 1 2 351.432 0.065 20 70 FCIDLO Cn1c2nnc(C[N@H+](C)CC(C)(CO)CO)n2c2ccsc2c1=O ZINC000159554662 488786176 /nfs/dbraw/zinc/78/61/76/488786176.db2.gz SPDQJURQRSTBQP-UHFFFAOYSA-N 1 2 351.432 0.065 20 70 FCIDLO O=C(CNC(=O)Cc1cc(F)c(F)cc1F)NCC[NH+]1CCOCC1 ZINC000159902070 488787841 /nfs/dbraw/zinc/78/78/41/488787841.db2.gz UJYSLIMLZWGZBU-UHFFFAOYSA-N 1 2 359.348 0.211 20 70 FCIDLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160044475 488788794 /nfs/dbraw/zinc/78/87/94/488788794.db2.gz ODZHNKRQACFOFG-HNNXBMFYSA-N 1 2 362.455 0.681 20 70 FCIDLO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000160188070 488789737 /nfs/dbraw/zinc/78/97/37/488789737.db2.gz GUTAPRKNPARBQG-AWEZNQCLSA-N 1 2 371.441 0.956 20 70 FCIDLO C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C[NH+]1CCOCC1 ZINC000160413748 488791447 /nfs/dbraw/zinc/79/14/47/488791447.db2.gz MCNJVBZLNDHITN-NSHDSACASA-N 1 2 354.432 0.103 20 70 FCIDLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c[nH+]c2ccc(C)cn12 ZINC000160611606 488792678 /nfs/dbraw/zinc/79/26/78/488792678.db2.gz IMLSUNJKMZMJNC-AWEZNQCLSA-N 1 2 364.471 0.768 20 70 FCIDLO C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)Oc1ccccc1Br ZINC000161145371 488795241 /nfs/dbraw/zinc/79/52/41/488795241.db2.gz GHDTWRNTGUXTSN-NSHDSACASA-N 1 2 370.247 0.764 20 70 FCIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCC(=O)N1CCCC1 ZINC000161272298 488795735 /nfs/dbraw/zinc/79/57/35/488795735.db2.gz UTTDEUOKSHVCEC-CQSZACIVSA-N 1 2 351.369 0.360 20 70 FCIDLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161405520 488796568 /nfs/dbraw/zinc/79/65/68/488796568.db2.gz UPPNYFHMWJFLTP-OCCSQVGLSA-N 1 2 354.476 0.740 20 70 FCIDLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161405401 488796931 /nfs/dbraw/zinc/79/69/31/488796931.db2.gz UPPNYFHMWJFLTP-TZMCWYRMSA-N 1 2 354.476 0.740 20 70 FCIDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159443113 488785296 /nfs/dbraw/zinc/78/52/96/488785296.db2.gz XWWZWJKGDKIXDV-OAHLLOKOSA-N 1 2 360.458 0.780 20 70 FCIDLO COC(=O)Cn1cc(CC[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)nn1 ZINC000159877580 488787947 /nfs/dbraw/zinc/78/79/47/488787947.db2.gz ULRINJBBXCHSSN-UHFFFAOYSA-N 1 2 362.434 0.416 20 70 FCIDLO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161412303 488796966 /nfs/dbraw/zinc/79/69/66/488796966.db2.gz UDMWWGMYCDWORF-SJORKVTESA-N 1 2 366.506 0.733 20 70 FCIDLO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)cc12 ZINC000160831636 229196495 /nfs/dbraw/zinc/19/64/95/229196495.db2.gz UUNKYOPXDNQDEZ-UHFFFAOYSA-N 1 2 367.475 0.354 20 70 FCIDLO C[NH+](C)[C@@H](CNC(=O)CN(CCS(C)(=O)=O)C1CC1)c1ccccc1 ZINC000159493678 488785675 /nfs/dbraw/zinc/78/56/75/488785675.db2.gz VGXBGBDYDBFOLT-KRWDZBQOSA-N 1 2 367.515 0.915 20 70 FCIDLO CN1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000159681536 488786599 /nfs/dbraw/zinc/78/65/99/488786599.db2.gz QDJVQONSRBUFEO-IAGOWNOFSA-N 1 2 360.458 0.460 20 70 FCIDLO COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161214864 488795171 /nfs/dbraw/zinc/79/51/71/488795171.db2.gz LFWWCNKOZRLBEN-KRWDZBQOSA-N 1 2 362.474 0.903 20 70 FCIDLO CC[C@@H](C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000161215603 488795639 /nfs/dbraw/zinc/79/56/39/488795639.db2.gz VWPTXEOUWJYRAJ-CRAIPNDOSA-N 1 2 362.474 0.903 20 70 FCIDLO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161433443 488796534 /nfs/dbraw/zinc/79/65/34/488796534.db2.gz RIYUWDXJTOKKGH-AWEZNQCLSA-N 1 2 366.425 0.972 20 70 FCIDLO C[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000160226197 547383471 /nfs/dbraw/zinc/38/34/71/547383471.db2.gz BRGPSNKEMSGCRD-CVEARBPZSA-N 1 2 372.535 0.449 20 70 FCIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000159361951 488784612 /nfs/dbraw/zinc/78/46/12/488784612.db2.gz NONGUFMWBPTZQF-UONOGXRCSA-N 1 2 363.443 0.797 20 70 FCIDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203500 488789813 /nfs/dbraw/zinc/78/98/13/488789813.db2.gz YLLBGVHZPUMOAN-CQSZACIVSA-N 1 2 364.446 0.411 20 70 FCIDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160203500 488789817 /nfs/dbraw/zinc/78/98/17/488789817.db2.gz YLLBGVHZPUMOAN-CQSZACIVSA-N 1 2 364.446 0.411 20 70 FCIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000160598953 546576344 /nfs/dbraw/zinc/57/63/44/546576344.db2.gz CHNIWXZZWYUVII-GDBMZVCRSA-N 1 2 352.479 0.940 20 70 FCIDLO