smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Br)c1 ZINC000159367814 531780415 /nfs/dbraw/zinc/78/04/15/531780415.db2.gz CVKXBFCHAPAUAY-ZDUSSCGKSA-N 1 2 382.283 2.401 20 70 GEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000159773990 531794528 /nfs/dbraw/zinc/79/45/28/531794528.db2.gz WVWCIVHZZBHWAD-AWEZNQCLSA-N 1 2 381.274 2.070 20 70 GEIDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000161247144 531827726 /nfs/dbraw/zinc/82/77/26/531827726.db2.gz SYPSSQYUFRAESB-UHFFFAOYSA-N 1 2 380.286 2.264 20 70 GEIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159466277 531784069 /nfs/dbraw/zinc/78/40/69/531784069.db2.gz VWHGAEASWKNRCF-NSHDSACASA-N 1 2 376.284 2.405 20 70 GEIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159466277 531784075 /nfs/dbraw/zinc/78/40/75/531784075.db2.gz VWHGAEASWKNRCF-NSHDSACASA-N 1 2 376.284 2.405 20 70 GEIDLO O=C(NCCn1cc[nH+]c1)c1cc(I)c(F)cc1F ZINC000160023372 531803358 /nfs/dbraw/zinc/80/33/58/531803358.db2.gz FNNNCCBFMCRZPO-UHFFFAOYSA-N 1 2 377.132 2.196 20 70 GEIDLO CS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000160880459 531818694 /nfs/dbraw/zinc/81/86/94/531818694.db2.gz VEXDNESCQHBWBJ-UHFFFAOYSA-N 1 2 380.491 2.236 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000159456554 531782326 /nfs/dbraw/zinc/78/23/26/531782326.db2.gz AAURMGXIJLDUBV-UHFFFAOYSA-N 1 2 378.897 2.458 20 70 GEIDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000159836491 531795927 /nfs/dbraw/zinc/79/59/27/531795927.db2.gz HZNVYFHBMDHSPU-VBNZEHGJSA-N 1 2 383.286 2.068 20 70 GEIDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000159836491 531795934 /nfs/dbraw/zinc/79/59/34/531795934.db2.gz HZNVYFHBMDHSPU-VBNZEHGJSA-N 1 2 383.286 2.068 20 70 GEIDLO O=C(CSCC[NH+]1CCOCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000159889172 531798645 /nfs/dbraw/zinc/79/86/45/531798645.db2.gz PYMKIBMZMAVVOU-KRWDZBQOSA-N 1 2 377.535 2.414 20 70 GEIDLO COc1ccc(Br)c(CC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000160056199 531804741 /nfs/dbraw/zinc/80/47/41/531804741.db2.gz ZTLSZHAOJYIFDW-STQMWFEESA-N 1 2 385.302 2.226 20 70 GEIDLO CN(Cc1ccccc1Br)C(=O)CSCC[NH+]1CCOCC1 ZINC000159794383 531793991 /nfs/dbraw/zinc/79/39/91/531793991.db2.gz UISPYPFRLOEWDD-UHFFFAOYSA-N 1 2 387.343 2.473 20 70 GEIDLO CCc1ccc(S(=O)(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)s1 ZINC000160120127 531805668 /nfs/dbraw/zinc/80/56/68/531805668.db2.gz PUQZIZBLIHKWGG-AWEZNQCLSA-N 1 2 384.523 2.413 20 70 GEIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)s1 ZINC000159370520 531780453 /nfs/dbraw/zinc/78/04/53/531780453.db2.gz HDCWSIJKSWILIR-SNVBAGLBSA-N 1 2 388.312 2.463 20 70 GEIDLO CCc1ccc(S(=O)(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)s1 ZINC000160119994 531806797 /nfs/dbraw/zinc/80/67/97/531806797.db2.gz PUQZIZBLIHKWGG-CQSZACIVSA-N 1 2 384.523 2.413 20 70 GEIDLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1ccc(Br)nc1 ZINC000160951090 531821760 /nfs/dbraw/zinc/82/17/60/531821760.db2.gz DFQVLJDAGQFDJW-UHFFFAOYSA-N 1 2 392.257 2.186 20 70 GEIDLO COC[C@@H](O)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161204953 531827510 /nfs/dbraw/zinc/82/75/10/531827510.db2.gz QBVGBXASULIDKZ-JKSUJKDBSA-N 1 2 385.302 2.100 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000159441328 531781274 /nfs/dbraw/zinc/78/12/74/531781274.db2.gz DQESGSVOHIYZIL-UHFFFAOYSA-N 1 2 378.897 2.458 20 70 GEIDLO CS(=O)(=O)c1ccc(OCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161192277 531826753 /nfs/dbraw/zinc/82/67/53/531826753.db2.gz VBLGWTAETYNOSL-HNNXBMFYSA-N 1 2 381.416 2.104 20 70 GEIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(F)cc1F ZINC000159469065 531783083 /nfs/dbraw/zinc/78/30/83/531783083.db2.gz KHDURRSPWAJPMG-UHFFFAOYSA-N 1 2 376.469 2.252 20 70 GEIDLO Cc1cc(F)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1F ZINC000159463662 531784574 /nfs/dbraw/zinc/78/45/74/531784574.db2.gz AVTZRUJTACUSRX-UHFFFAOYSA-N 1 2 376.469 2.252 20 70 GEIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000161084578 531823582 /nfs/dbraw/zinc/82/35/82/531823582.db2.gz LHQUMUMFXJCEHV-GFCCVEGCSA-N 1 2 396.260 2.368 20 70 GEIDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000161178699 531826909 /nfs/dbraw/zinc/82/69/09/531826909.db2.gz JHXCNDPBKCGYPD-UHFFFAOYSA-N 1 2 378.274 2.376 20 70 GEIDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000161178699 531826917 /nfs/dbraw/zinc/82/69/17/531826917.db2.gz JHXCNDPBKCGYPD-UHFFFAOYSA-N 1 2 378.274 2.376 20 70 GEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)s1 ZINC000159582450 531786016 /nfs/dbraw/zinc/78/60/16/531786016.db2.gz VPLURIBFVQNCAG-UHFFFAOYSA-N 1 2 382.555 2.167 20 70 GEIDLO CS(=O)(=O)c1csc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000160885628 531818286 /nfs/dbraw/zinc/81/82/86/531818286.db2.gz QRFJGTSAYBVMQV-UHFFFAOYSA-N 1 2 379.507 2.467 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000161222436 531828501 /nfs/dbraw/zinc/82/85/01/531828501.db2.gz BARZOUYVKWXDAV-UHFFFAOYSA-N 1 2 387.914 2.428 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000161222436 531828512 /nfs/dbraw/zinc/82/85/12/531828512.db2.gz BARZOUYVKWXDAV-UHFFFAOYSA-N 1 2 387.914 2.428 20 70 GEIDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000161273923 531830079 /nfs/dbraw/zinc/83/00/79/531830079.db2.gz BLEMLGVGKOILPC-CQSZACIVSA-N 1 2 382.507 2.193 20 70 GEIDLO Cn1cc[nH+]c1N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000160921578 531820151 /nfs/dbraw/zinc/82/01/51/531820151.db2.gz RBSHCJUDQVESIK-UHFFFAOYSA-N 1 2 375.274 2.381 20 70 GEIDLO CCOC(=O)CCCS(=O)(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000159583049 531785341 /nfs/dbraw/zinc/78/53/41/531785341.db2.gz HUOKYUSOFLYDGG-UHFFFAOYSA-N 1 2 388.555 2.101 20 70 GEIDLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1Cl ZINC000159466628 531783317 /nfs/dbraw/zinc/78/33/17/531783317.db2.gz ZRYHTOKMLPGZHD-UHFFFAOYSA-N 1 2 390.933 2.328 20 70 GEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000159779020 531794217 /nfs/dbraw/zinc/79/42/17/531794217.db2.gz DPTGEJQABWIDDU-AWEZNQCLSA-N 1 2 381.274 2.070 20 70 GEIDLO CS(=O)(=O)c1csc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000159851985 531796691 /nfs/dbraw/zinc/79/66/91/531796691.db2.gz XOGJUVCOBAZPAK-UHFFFAOYSA-N 1 2 375.475 2.326 20 70 GEIDLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161086314 531824303 /nfs/dbraw/zinc/82/43/03/531824303.db2.gz UXUKLHKIPQLLCR-GFCCVEGCSA-N 1 2 391.269 2.271 20 70 GEIDLO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCOc3cc[nH+]cc32)c1 ZINC000159647927 531788087 /nfs/dbraw/zinc/78/80/87/531788087.db2.gz WEDJPBFKXQEQOO-UHFFFAOYSA-N 1 2 398.282 2.498 20 70 GEIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000161084709 531824143 /nfs/dbraw/zinc/82/41/43/531824143.db2.gz LHQUMUMFXJCEHV-LBPRGKRZSA-N 1 2 396.260 2.368 20 70 GEIDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCCS(C)(=O)=O ZINC000161187853 531826313 /nfs/dbraw/zinc/82/63/13/531826313.db2.gz AGBWODFVJWUSCT-UHFFFAOYSA-N 1 2 391.331 2.453 20 70 GEIDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCCS(C)(=O)=O ZINC000161187853 531826319 /nfs/dbraw/zinc/82/63/19/531826319.db2.gz AGBWODFVJWUSCT-UHFFFAOYSA-N 1 2 391.331 2.453 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000159463022 531781625 /nfs/dbraw/zinc/78/16/25/531781625.db2.gz KTVOBSAQGSYDAJ-UHFFFAOYSA-N 1 2 380.432 2.083 20 70 GEIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cnc1Cl ZINC000159476978 531783482 /nfs/dbraw/zinc/78/34/82/531783482.db2.gz QGWZGEMDIMGBGI-UHFFFAOYSA-N 1 2 375.922 2.022 20 70 GEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000159774131 531793640 /nfs/dbraw/zinc/79/36/40/531793640.db2.gz WVWCIVHZZBHWAD-CQSZACIVSA-N 1 2 381.274 2.070 20 70 GEIDLO COC[C@H](O)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161205061 531827876 /nfs/dbraw/zinc/82/78/76/531827876.db2.gz QBVGBXASULIDKZ-CVEARBPZSA-N 1 2 385.302 2.100 20 70 GEIDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ncc(Cl)s1 ZINC000161241901 531828458 /nfs/dbraw/zinc/82/84/58/531828458.db2.gz VCDOPWLUUJWLQT-UHFFFAOYSA-N 1 2 379.873 2.259 20 70 GEIDLO COc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)c(I)c1 ZINC000159814417 531795175 /nfs/dbraw/zinc/79/51/75/531795175.db2.gz IHMYJMPHLTYQNQ-UHFFFAOYSA-N 1 2 385.205 2.306 20 70 GEIDLO CS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000160951807 531822803 /nfs/dbraw/zinc/82/28/03/531822803.db2.gz RFJYPQNOXLULFG-UHFFFAOYSA-N 1 2 379.438 2.406 20 70 GEIDLO CS(=O)(=O)c1ccc(OCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161192391 531825997 /nfs/dbraw/zinc/82/59/97/531825997.db2.gz VBLGWTAETYNOSL-OAHLLOKOSA-N 1 2 381.416 2.104 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159438743 531782628 /nfs/dbraw/zinc/78/26/28/531782628.db2.gz CCNPXWJRNAGREZ-UHFFFAOYSA-N 1 2 384.527 2.392 20 70 GEIDLO COc1ccc(Cl)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159476823 531784343 /nfs/dbraw/zinc/78/43/43/531784343.db2.gz SYQVNCXFEYADPA-UHFFFAOYSA-N 1 2 390.933 2.328 20 70 GEIDLO COc1ccc(Br)c(CC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000160056328 531803525 /nfs/dbraw/zinc/80/35/25/531803525.db2.gz ZTLSZHAOJYIFDW-OLZOCXBDSA-N 1 2 385.302 2.226 20 70 GEIDLO NC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000160067242 531804777 /nfs/dbraw/zinc/80/47/77/531804777.db2.gz FZCICOSOXCUUET-CYBMUJFWSA-N 1 2 377.279 2.180 20 70 GEIDLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159361649 531779975 /nfs/dbraw/zinc/77/99/75/531779975.db2.gz FPZIKLHZDQGGHK-CQSZACIVSA-N 1 2 379.869 2.495 20 70 GEIDLO O=C(CSCC[NH+]1CCOCC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000159889291 531798627 /nfs/dbraw/zinc/79/86/27/531798627.db2.gz PYMKIBMZMAVVOU-QGZVFWFLSA-N 1 2 377.535 2.414 20 70 GEIDLO COC[C@H](O)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161204825 531828105 /nfs/dbraw/zinc/82/81/05/531828105.db2.gz QBVGBXASULIDKZ-HZPDHXFCSA-N 1 2 385.302 2.100 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000159461816 531781743 /nfs/dbraw/zinc/78/17/43/531781743.db2.gz DRHUTHCFTAWKHA-UHFFFAOYSA-N 1 2 380.432 2.083 20 70 GEIDLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161086438 531824594 /nfs/dbraw/zinc/82/45/94/531824594.db2.gz UXUKLHKIPQLLCR-LBPRGKRZSA-N 1 2 391.269 2.271 20 70 GEIDLO O=C(CSCC[NH+]1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000159786005 531793778 /nfs/dbraw/zinc/79/37/78/531793778.db2.gz HWTBPAQUIFMZCD-UHFFFAOYSA-N 1 2 383.945 2.054 20 70 GEIDLO O=C(CSCC[NH+]1CCOCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000160055362 531804114 /nfs/dbraw/zinc/80/41/14/531804114.db2.gz OEAKTOMXSYHNJO-UHFFFAOYSA-N 1 2 378.416 2.267 20 70 GEIDLO O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@H]1CSC[NH2+]1 ZINC000161006967 531821717 /nfs/dbraw/zinc/82/17/17/531821717.db2.gz RSPGSIVLFVLGPN-QGZVFWFLSA-N 1 2 376.503 2.403 20 70 GEIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Br)c1 ZINC000159367949 531780093 /nfs/dbraw/zinc/78/00/93/531780093.db2.gz CVKXBFCHAPAUAY-CYBMUJFWSA-N 1 2 382.283 2.401 20 70 GEIDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000159475243 531783974 /nfs/dbraw/zinc/78/39/74/531783974.db2.gz XICMTFIXYVNFFA-UHFFFAOYSA-N 1 2 381.885 2.256 20 70 GEIDLO COc1ccc(Br)c(CC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000160055892 531803808 /nfs/dbraw/zinc/80/38/08/531803808.db2.gz ZTLSZHAOJYIFDW-QWHCGFSZSA-N 1 2 385.302 2.226 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000159451148 531782537 /nfs/dbraw/zinc/78/25/37/531782537.db2.gz FUCJBVVZUCKPJV-UHFFFAOYSA-N 1 2 378.897 2.458 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000159478154 531784400 /nfs/dbraw/zinc/78/44/00/531784400.db2.gz SYJBJMREUPDNMW-UHFFFAOYSA-N 1 2 396.340 2.367 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000161368649 531831731 /nfs/dbraw/zinc/83/17/31/531831731.db2.gz AFOSRRPGKDFWRE-UHFFFAOYSA-N 1 2 379.507 2.307 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000161368649 531831739 /nfs/dbraw/zinc/83/17/39/531831739.db2.gz AFOSRRPGKDFWRE-UHFFFAOYSA-N 1 2 379.507 2.307 20 70 GEIDLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159361800 531779638 /nfs/dbraw/zinc/77/96/38/531779638.db2.gz FPZIKLHZDQGGHK-AWEZNQCLSA-N 1 2 379.869 2.495 20 70 GEIDLO O=C(Nc1ccc(F)cc1)c1nnc(CSCC[NH+]2CCOCC2)s1 ZINC000159780132 531794286 /nfs/dbraw/zinc/79/42/86/531794286.db2.gz QJRMDCDXYDDLND-UHFFFAOYSA-N 1 2 382.486 2.495 20 70 GEIDLO NC(=O)[C@H](c1cccc(Br)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000159824559 531795704 /nfs/dbraw/zinc/79/57/04/531795704.db2.gz NRCZLLBEZXVSKA-SJORKVTESA-N 1 2 396.329 2.162 20 70 GEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000159779162 531793177 /nfs/dbraw/zinc/79/31/77/531793177.db2.gz DPTGEJQABWIDDU-CQSZACIVSA-N 1 2 381.274 2.070 20 70 GEIDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000159836603 531796794 /nfs/dbraw/zinc/79/67/94/531796794.db2.gz HZNVYFHBMDHSPU-KCXAZCMYSA-N 1 2 383.286 2.068 20 70 GEIDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000159836603 531796803 /nfs/dbraw/zinc/79/68/03/531796803.db2.gz HZNVYFHBMDHSPU-KCXAZCMYSA-N 1 2 383.286 2.068 20 70 GEIDLO O=C(NCc1ccccc1)c1nnc(CSCC[NH+]2CCOCC2)s1 ZINC000160014900 531802662 /nfs/dbraw/zinc/80/26/62/531802662.db2.gz NEBYNYWRQVBUPK-UHFFFAOYSA-N 1 2 378.523 2.034 20 70 GEIDLO O=C(CNC(=O)CC1CCCC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000160804004 531815880 /nfs/dbraw/zinc/81/58/80/531815880.db2.gz OTXRCWQYSVFVPO-UHFFFAOYSA-N 1 2 393.285 2.410 20 70 GEIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)s1 ZINC000159370370 531779607 /nfs/dbraw/zinc/77/96/07/531779607.db2.gz HDCWSIJKSWILIR-JTQLQIEISA-N 1 2 388.312 2.463 20 70 GEIDLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000159836368 531796751 /nfs/dbraw/zinc/79/67/51/531796751.db2.gz HZNVYFHBMDHSPU-UHOFOFEASA-N 1 2 383.286 2.068 20 70 GEIDLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000159836368 531796760 /nfs/dbraw/zinc/79/67/60/531796760.db2.gz HZNVYFHBMDHSPU-UHOFOFEASA-N 1 2 383.286 2.068 20 70 GEIDLO COc1ccc(Br)c(CC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000160056049 531804376 /nfs/dbraw/zinc/80/43/76/531804376.db2.gz ZTLSZHAOJYIFDW-CHWSQXEVSA-N 1 2 385.302 2.226 20 70 GEIDLO Cc1ccc(NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000161175872 531826097 /nfs/dbraw/zinc/82/60/97/531826097.db2.gz NGKQOTDHWOINDP-UHFFFAOYSA-N 1 2 388.225 2.055 20 70 GEIDLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161337497 531832011 /nfs/dbraw/zinc/83/20/11/531832011.db2.gz ZHISRIKDCSQVFV-GFCCVEGCSA-N 1 2 379.869 2.147 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000159453042 531782516 /nfs/dbraw/zinc/78/25/16/531782516.db2.gz NXQGYKSQKCYWCN-UHFFFAOYSA-N 1 2 378.897 2.458 20 70 GEIDLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000159836724 531796026 /nfs/dbraw/zinc/79/60/26/531796026.db2.gz HZNVYFHBMDHSPU-RCBQFDQVSA-N 1 2 383.286 2.068 20 70 GEIDLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000159836724 531796032 /nfs/dbraw/zinc/79/60/32/531796032.db2.gz HZNVYFHBMDHSPU-RCBQFDQVSA-N 1 2 383.286 2.068 20 70 GEIDLO COC[C@@H](O)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000161205150 531828646 /nfs/dbraw/zinc/82/86/46/531828646.db2.gz QBVGBXASULIDKZ-HOTGVXAUSA-N 1 2 385.302 2.100 20 70 GEIDLO O=S(=O)(NCCn1cc[nH+]c1)c1c(Cl)cc(F)cc1Br ZINC000159667879 531789358 /nfs/dbraw/zinc/78/93/58/531789358.db2.gz OIAMOCFACHXCFT-UHFFFAOYSA-N 1 2 382.642 2.417 20 70 GEIDLO NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000159824718 531795262 /nfs/dbraw/zinc/79/52/62/531795262.db2.gz NRCZLLBEZXVSKA-IAGOWNOFSA-N 1 2 396.329 2.162 20 70 GEIDLO NC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000160067106 531803904 /nfs/dbraw/zinc/80/39/04/531803904.db2.gz FZCICOSOXCUUET-ZDUSSCGKSA-N 1 2 377.279 2.180 20 70 GEIDLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160565084 531809585 /nfs/dbraw/zinc/80/95/85/531809585.db2.gz XOUADFCPISBDEK-LLVKDONJSA-N 1 2 378.226 2.253 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000161159653 531826573 /nfs/dbraw/zinc/82/65/73/531826573.db2.gz QNCYLLOGLFUYAC-UHFFFAOYSA-N 1 2 381.885 2.366 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000161159653 531826578 /nfs/dbraw/zinc/82/65/78/531826578.db2.gz QNCYLLOGLFUYAC-UHFFFAOYSA-N 1 2 381.885 2.366 20 70 GEIDLO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000159769949 531794025 /nfs/dbraw/zinc/79/40/25/531794025.db2.gz AMWGOXNKSBYNDB-UHFFFAOYSA-N 1 2 381.523 2.438 20 70 GEIDLO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000159769949 531794028 /nfs/dbraw/zinc/79/40/28/531794028.db2.gz AMWGOXNKSBYNDB-UHFFFAOYSA-N 1 2 381.523 2.438 20 70 GEIDLO Cc1nc(-c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)s2)cs1 ZINC000160882375 531818515 /nfs/dbraw/zinc/81/85/15/531818515.db2.gz CQGWXHYGVFVKFL-UHFFFAOYSA-N 1 2 387.552 2.181 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000161178901 531826390 /nfs/dbraw/zinc/82/63/90/531826390.db2.gz UPFTWDRSGZKKMH-UHFFFAOYSA-N 1 2 381.885 2.366 20 70 GEIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000161178901 531826397 /nfs/dbraw/zinc/82/63/97/531826397.db2.gz UPFTWDRSGZKKMH-UHFFFAOYSA-N 1 2 381.885 2.366 20 70 GEIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159466425 531783548 /nfs/dbraw/zinc/78/35/48/531783548.db2.gz VWHGAEASWKNRCF-LLVKDONJSA-N 1 2 376.284 2.405 20 70 GEIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000159466425 531783555 /nfs/dbraw/zinc/78/35/55/531783555.db2.gz VWHGAEASWKNRCF-LLVKDONJSA-N 1 2 376.284 2.405 20 70 GEIDLO COc1ccsc1S(=O)(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000159619473 531788356 /nfs/dbraw/zinc/78/83/56/531788356.db2.gz HIYMGLXEAQOPTK-UHFFFAOYSA-N 1 2 382.507 2.432 20 70 GEIDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000161273791 531830615 /nfs/dbraw/zinc/83/06/15/531830615.db2.gz BLEMLGVGKOILPC-AWEZNQCLSA-N 1 2 382.507 2.193 20 70 GEIDLO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161322931 531831925 /nfs/dbraw/zinc/83/19/25/531831925.db2.gz YQSYELLRTOHMHT-MRXNPFEDSA-N 1 2 381.929 2.296 20 70 GEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000159439899 531781530 /nfs/dbraw/zinc/78/15/30/531781530.db2.gz OURQLPFWQWZZJW-UHFFFAOYSA-N 1 2 378.897 2.458 20 70 GEIDLO Cc1nn(C)c(=O)c(-c2nc(CSCC[NH+]3CCOCC3)cs2)c1C ZINC000159823031 531795592 /nfs/dbraw/zinc/79/55/92/531795592.db2.gz PLVSLIXKMKFNHR-UHFFFAOYSA-N 1 2 380.539 2.086 20 70 GEIDLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@H]1CCn2cc[nH+]c2C1 ZINC000160565194 531811228 /nfs/dbraw/zinc/81/12/28/531811228.db2.gz XOUADFCPISBDEK-NSHDSACASA-N 1 2 378.226 2.253 20 70 GEIDLO O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@@H]1CSC[NH2+]1 ZINC000161006845 531822581 /nfs/dbraw/zinc/82/25/81/531822581.db2.gz RSPGSIVLFVLGPN-KRWDZBQOSA-N 1 2 376.503 2.403 20 70 GEIDLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161337620 531831446 /nfs/dbraw/zinc/83/14/46/531831446.db2.gz ZHISRIKDCSQVFV-LBPRGKRZSA-N 1 2 379.869 2.147 20 70 GEIDLO CCC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161323048 531832344 /nfs/dbraw/zinc/83/23/44/531832344.db2.gz YQSYELLRTOHMHT-INIZCTEOSA-N 1 2 381.929 2.296 20 70 GEIDLO