smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000216817286 531027517 /nfs/dbraw/zinc/02/75/17/531027517.db2.gz HZYZTKOWUHKENS-NSHDSACASA-N 1 0 389.905 1.226 40 70 GDIBRO CC(=O)c1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000216939113 205935482 /nfs/dbraw/zinc/93/54/82/205935482.db2.gz ZDCATWSFEYLZJY-UHFFFAOYSA-N 1 0 395.525 1.503 40 70 GDIBRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000216821923 570307765 /nfs/dbraw/zinc/30/77/65/570307765.db2.gz OZZNIFZFQICLIG-UHFFFAOYSA-N 1 0 383.489 1.437 40 70 GDIBRO CN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000216807011 531027542 /nfs/dbraw/zinc/02/75/42/531027542.db2.gz SGQIKONCYUBCAY-UHFFFAOYSA-N 1 0 394.324 1.824 40 70 GDIBRO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000216815198 531026978 /nfs/dbraw/zinc/02/69/78/531026978.db2.gz MLYAWQYGZVRDMN-UHFFFAOYSA-N 1 0 389.905 1.180 40 70 GDIBRO Cc1cc(OCC(=O)NCCCN2CC[NH+](C)CC2)ccc1Br ZINC000216950371 531027439 /nfs/dbraw/zinc/02/74/39/531027439.db2.gz YYELJGGYBSLUAC-UHFFFAOYSA-N 1 0 384.318 1.890 40 70 GDIBRO C[N@@H+]1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[nH]c(=O)c2C1 ZINC000216845708 531027565 /nfs/dbraw/zinc/02/75/65/531027565.db2.gz GKCSWLYWFCOGLD-UHFFFAOYSA-N 1 0 382.873 1.377 40 70 GDIBRO CN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000216809091 570307422 /nfs/dbraw/zinc/30/74/22/570307422.db2.gz QSKRPMRTUZEIBS-UHFFFAOYSA-N 1 0 375.494 1.671 40 70 GDIBRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000216899636 570309099 /nfs/dbraw/zinc/30/90/99/570309099.db2.gz VXLLDSICZVGUBW-UHFFFAOYSA-N 1 0 379.526 1.560 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000216939236 205936543 /nfs/dbraw/zinc/93/65/43/205936543.db2.gz YMIGBHJEBNDSFE-UHFFFAOYSA-N 1 0 397.497 1.029 40 70 GDIBRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216834264 570307580 /nfs/dbraw/zinc/30/75/80/570307580.db2.gz WQWYEPKLRXPYLT-UHFFFAOYSA-N 1 0 383.514 1.306 40 70 GDIBRO CCS(=O)(=O)N1C[C@@H](C(=O)NCCC2CC[NH+](C)CC2)Oc2ccccc21 ZINC000216949972 570310286 /nfs/dbraw/zinc/31/02/86/570310286.db2.gz BEVPYFJCRQHYJD-SFHVURJKSA-N 1 0 395.525 1.452 40 70 GDIBRO COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C(=O)NC(C)C ZINC000216949900 205936331 /nfs/dbraw/zinc/93/63/31/205936331.db2.gz PQIWYSPLJULQGT-UHFFFAOYSA-N 1 0 397.541 1.844 40 70 GDIBRO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216915740 570309524 /nfs/dbraw/zinc/30/95/24/570309524.db2.gz RRFLRNWJDXYNIR-AWEZNQCLSA-N 1 0 381.498 1.760 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000216942168 570309876 /nfs/dbraw/zinc/30/98/76/570309876.db2.gz NDQBPXHAPFUAKP-UHFFFAOYSA-N 1 0 389.468 1.579 40 70 GDIBRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000216818378 531027113 /nfs/dbraw/zinc/02/71/13/531027113.db2.gz YHNZIXWHRMCZBH-LLVKDONJSA-N 1 0 389.905 1.226 40 70 GDIBRO Cc1ccc(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216939275 570309913 /nfs/dbraw/zinc/30/99/13/570309913.db2.gz YNDOXDCGAZYMMM-INIZCTEOSA-N 1 0 381.542 1.998 40 70 GDIBRO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216915712 570309646 /nfs/dbraw/zinc/30/96/46/570309646.db2.gz RRFLRNWJDXYNIR-CQSZACIVSA-N 1 0 381.498 1.760 40 70 GDIBRO COc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216937781 570309926 /nfs/dbraw/zinc/30/99/26/570309926.db2.gz NAEXJTGIVYJIPQ-UHFFFAOYSA-N 1 0 383.514 1.309 40 70 GDIBRO Cc1ccc(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216939301 570309956 /nfs/dbraw/zinc/30/99/56/570309956.db2.gz YNDOXDCGAZYMMM-MRXNPFEDSA-N 1 0 381.542 1.998 40 70 GDIBRO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000216817321 531027390 /nfs/dbraw/zinc/02/73/90/531027390.db2.gz HZYZTKOWUHKENS-LLVKDONJSA-N 1 0 389.905 1.226 40 70 GDIBRO CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216830638 570307803 /nfs/dbraw/zinc/30/78/03/570307803.db2.gz TWRUBLZBELIAEV-AWEZNQCLSA-N 1 0 383.514 1.353 40 70 GDIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000216829767 570307857 /nfs/dbraw/zinc/30/78/57/570307857.db2.gz VWKIAUOIHHODIS-UHFFFAOYSA-N 1 0 381.498 1.060 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000216935096 531027086 /nfs/dbraw/zinc/02/70/86/531027086.db2.gz IDAGIDSCHUZLIF-UHFFFAOYSA-N 1 0 387.933 1.954 40 70 GDIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1C ZINC000216934736 208825210 /nfs/dbraw/zinc/82/52/10/208825210.db2.gz WHGWHYOYCJLAAM-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000216823510 570307737 /nfs/dbraw/zinc/30/77/37/570307737.db2.gz PARJAGLRHNYRMC-CQSZACIVSA-N 1 0 383.489 1.437 40 70 GDIBRO Cc1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000216936689 570309996 /nfs/dbraw/zinc/30/99/96/570309996.db2.gz CYOSWOLLTUPXLP-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO C[N@@H+]1C[C@@]2(C)CN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@@](C)(C1)[C@H]2O ZINC000217838943 531027286 /nfs/dbraw/zinc/02/72/86/531027286.db2.gz YVRACPAMLJHOJU-XGWQRUHWSA-N 1 0 381.929 1.989 40 70 GDIBRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216840505 570308205 /nfs/dbraw/zinc/30/82/05/570308205.db2.gz CSXLNBSIVNZORI-UHFFFAOYSA-N 1 0 381.542 1.860 40 70 GDIBRO O=C(NC[C@H]1CCCO1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000217679529 570320066 /nfs/dbraw/zinc/32/00/66/570320066.db2.gz UEGJVVQPAQWWKI-OVQGTLEDSA-N 1 0 399.535 1.919 40 70 GDIBRO CCN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000216816201 570307898 /nfs/dbraw/zinc/30/78/98/570307898.db2.gz QWCIQRWQNMDWLM-UHFFFAOYSA-N 1 0 383.514 1.225 40 70 GDIBRO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216922684 570309409 /nfs/dbraw/zinc/30/94/09/570309409.db2.gz RKYSMBFYLNTNKV-UHFFFAOYSA-N 1 0 394.541 1.211 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000217030766 570312123 /nfs/dbraw/zinc/31/21/23/570312123.db2.gz OBGBFSHIVSTKHH-UHFFFAOYSA-N 1 0 393.509 1.459 40 70 GDIBRO COc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216935311 570310015 /nfs/dbraw/zinc/31/00/15/570310015.db2.gz WUTCTXYJHKAMNP-UHFFFAOYSA-N 1 0 383.514 1.309 40 70 GDIBRO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216810157 570307304 /nfs/dbraw/zinc/30/73/04/570307304.db2.gz SYTJONBHUQXZQI-UHFFFAOYSA-N 1 0 383.514 1.306 40 70 GDIBRO COc1ccc(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216936540 570310047 /nfs/dbraw/zinc/31/00/47/570310047.db2.gz DZSQZQPPTJAYIM-HNNXBMFYSA-N 1 0 397.541 1.698 40 70 GDIBRO CCOc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216935463 570310045 /nfs/dbraw/zinc/31/00/45/570310045.db2.gz CGFKLEHBZZJZLJ-UHFFFAOYSA-N 1 0 397.541 1.699 40 70 GDIBRO CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000216836128 570308305 /nfs/dbraw/zinc/30/83/05/570308305.db2.gz VSENTXJVHGQLJE-UHFFFAOYSA-N 1 0 383.514 1.273 40 70 GDIBRO CCNC(=O)c1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)ccc1OC ZINC000216949789 211746502 /nfs/dbraw/zinc/74/65/02/211746502.db2.gz IMYJEXCLMMVIDI-UHFFFAOYSA-N 1 0 383.514 1.455 40 70 GDIBRO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216818073 570307600 /nfs/dbraw/zinc/30/76/00/570307600.db2.gz ADRFWFHNONKXJU-AWEZNQCLSA-N 1 0 383.514 1.271 40 70 GDIBRO COc1ccc(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216936564 570309916 /nfs/dbraw/zinc/30/99/16/570309916.db2.gz DZSQZQPPTJAYIM-OAHLLOKOSA-N 1 0 397.541 1.698 40 70 GDIBRO CCOc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216935404 570309939 /nfs/dbraw/zinc/30/99/39/570309939.db2.gz UXAKXSJNJKJHIY-UHFFFAOYSA-N 1 0 397.541 1.699 40 70 GDIBRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000216949134 570310346 /nfs/dbraw/zinc/31/03/46/570310346.db2.gz JRAOBKNPJOOYOF-UHFFFAOYSA-N 1 0 382.530 1.391 40 70 GDIBRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000216841882 570308234 /nfs/dbraw/zinc/30/82/34/570308234.db2.gz BMJZWARWTJWQJE-UHFFFAOYSA-N 1 0 395.525 1.694 40 70 GDIBRO Cc1cc(C)cc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000216934612 570309987 /nfs/dbraw/zinc/30/99/87/570309987.db2.gz LNHPSYHBXJVFSP-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216830606 570307834 /nfs/dbraw/zinc/30/78/34/570307834.db2.gz TWRUBLZBELIAEV-CQSZACIVSA-N 1 0 383.514 1.353 40 70 GDIBRO CN(C)S(=O)(=O)N(CC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000216940278 570309929 /nfs/dbraw/zinc/30/99/29/570309929.db2.gz ZWIDWPCXPUQKGP-UHFFFAOYSA-N 1 0 382.530 1.148 40 70 GDIBRO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216838959 570308168 /nfs/dbraw/zinc/30/81/68/570308168.db2.gz UZFMGISOCMJJIR-UHFFFAOYSA-N 1 0 381.542 1.764 40 70 GDIBRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216914058 570309033 /nfs/dbraw/zinc/30/90/33/570309033.db2.gz KLHZOLWUTPTXBC-MRXNPFEDSA-N 1 0 394.541 1.211 40 70 GDIBRO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000216818345 531027124 /nfs/dbraw/zinc/02/71/24/531027124.db2.gz YHNZIXWHRMCZBH-NSHDSACASA-N 1 0 389.905 1.226 40 70 GDIBRO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216818108 570307630 /nfs/dbraw/zinc/30/76/30/570307630.db2.gz ADRFWFHNONKXJU-CQSZACIVSA-N 1 0 383.514 1.271 40 70 GDIBRO Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000216835250 570307840 /nfs/dbraw/zinc/30/78/40/570307840.db2.gz YUGUYIJLCAFDCW-UHFFFAOYSA-N 1 0 383.514 1.271 40 70 GDIBRO O=C(NC[C@@H]1CCCO1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000217679437 570320260 /nfs/dbraw/zinc/32/02/60/570320260.db2.gz UEGJVVQPAQWWKI-JWWGGVBKSA-N 1 0 399.535 1.919 40 70 GDIBRO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000216834820 570307826 /nfs/dbraw/zinc/30/78/26/570307826.db2.gz ITKVCPCYDVTEIK-UHFFFAOYSA-N 1 0 397.541 1.519 40 70 GDIBRO CCN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000216812592 570307888 /nfs/dbraw/zinc/30/78/88/570307888.db2.gz RLJGIKYSMWVWES-UHFFFAOYSA-N 1 0 383.514 1.225 40 70 GDIBRO COc1ccc(C)cc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216936052 570309959 /nfs/dbraw/zinc/30/99/59/570309959.db2.gz PPSMTPUXEOEGCB-UHFFFAOYSA-N 1 0 397.541 1.618 40 70 GDIBRO C[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000216839873 570308127 /nfs/dbraw/zinc/30/81/27/570308127.db2.gz NORPLACURPBVRX-UHFFFAOYSA-N 1 0 381.542 1.906 40 70 GDIBRO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000216923206 570309385 /nfs/dbraw/zinc/30/93/85/570309385.db2.gz FDSQPJCFTLTLKC-UHFFFAOYSA-N 1 0 381.498 1.760 40 70 GDIBRO COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000216810334 531027094 /nfs/dbraw/zinc/02/70/94/531027094.db2.gz PMRZKBBLOJYUIQ-UHFFFAOYSA-N 1 0 389.905 1.180 40 70 GDIBRO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000216942339 570309970 /nfs/dbraw/zinc/30/99/70/570309970.db2.gz CUSJGHKBHAFRNG-AWEZNQCLSA-N 1 0 385.505 1.828 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000216935020 531027321 /nfs/dbraw/zinc/02/73/21/531027321.db2.gz YUTIZGYZPRCXHN-UHFFFAOYSA-N 1 0 387.933 1.954 40 70 GDIBRO C[NH+]1CCC(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000216893458 570309018 /nfs/dbraw/zinc/30/90/18/570309018.db2.gz DRHCTBBUKUQIDL-UHFFFAOYSA-N 1 0 381.498 1.378 40 70 GDIBRO COc1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000216935222 570309884 /nfs/dbraw/zinc/30/98/84/570309884.db2.gz QBZLEDQSVSSXHR-UHFFFAOYSA-N 1 0 383.514 1.309 40 70 GDIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c(C)c1 ZINC000216934395 570309542 /nfs/dbraw/zinc/30/95/42/570309542.db2.gz YREDZNVLFYXWCX-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216830464 570307691 /nfs/dbraw/zinc/30/76/91/570307691.db2.gz ROIQUQKKZLATGQ-UHFFFAOYSA-N 1 0 383.514 1.210 40 70 GDIBRO CCc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000216937545 570309985 /nfs/dbraw/zinc/30/99/85/570309985.db2.gz TWGSRUDLDSBUBS-UHFFFAOYSA-N 1 0 381.542 1.863 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000217020307 570311492 /nfs/dbraw/zinc/31/14/92/570311492.db2.gz GVMPOMKBBGZJSE-KRWDZBQOSA-N 1 0 381.498 1.062 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000217020353 570311514 /nfs/dbraw/zinc/31/15/14/570311514.db2.gz GVMPOMKBBGZJSE-QGZVFWFLSA-N 1 0 381.498 1.062 40 70 GDIBRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)O2 ZINC000217029478 570312100 /nfs/dbraw/zinc/31/21/00/570312100.db2.gz GKCUXBDNLHXCHZ-SFHVURJKSA-N 1 0 395.525 1.370 40 70 GDIBRO Cc1ccc(C)c(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000216934504 570309871 /nfs/dbraw/zinc/30/98/71/570309871.db2.gz XJMQQRQJOQHKJG-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCC1CC[NH+](C)CC1)O2 ZINC000217029519 570311829 /nfs/dbraw/zinc/31/18/29/570311829.db2.gz GKCUXBDNLHXCHZ-GOSISDBHSA-N 1 0 395.525 1.370 40 70 GDIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000216830168 222578086 /nfs/dbraw/zinc/57/80/86/222578086.db2.gz HXBYLUUOSKRLMB-UHFFFAOYSA-N 1 0 395.525 1.497 40 70 GDIBRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000216837287 570308107 /nfs/dbraw/zinc/30/81/07/570308107.db2.gz WRDMTNWRPZKDEJ-UHFFFAOYSA-N 1 0 397.541 1.615 40 70 GDIBRO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000216942360 570310017 /nfs/dbraw/zinc/31/00/17/570310017.db2.gz CUSJGHKBHAFRNG-CQSZACIVSA-N 1 0 385.505 1.828 40 70 GDIBRO CCS(=O)(=O)N1C[C@H](C(=O)NCCC2CC[NH+](C)CC2)Oc2ccccc21 ZINC000216949991 570310349 /nfs/dbraw/zinc/31/03/49/570310349.db2.gz BEVPYFJCRQHYJD-GOSISDBHSA-N 1 0 395.525 1.452 40 70 GDIBRO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216813802 570307892 /nfs/dbraw/zinc/30/78/92/570307892.db2.gz IBOLIDZCEGWRIZ-UHFFFAOYSA-N 1 0 383.514 1.225 40 70 GDIBRO C[NH+]1CCC(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000216939051 531027200 /nfs/dbraw/zinc/02/72/00/531027200.db2.gz VWLCYLGPKRTDJW-UHFFFAOYSA-N 1 0 394.324 1.970 40 70 GDIBRO C[NH+]1CCC(CCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000216935063 531027275 /nfs/dbraw/zinc/02/72/75/531027275.db2.gz GEJWPNKOGNLACA-UHFFFAOYSA-N 1 0 387.933 1.954 40 70 GDIBRO CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216833208 570307902 /nfs/dbraw/zinc/30/79/02/570307902.db2.gz IZRGQTFAMKHDJK-UHFFFAOYSA-N 1 0 383.514 1.354 40 70 GDIBRO CCN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000216816031 570307848 /nfs/dbraw/zinc/30/78/48/570307848.db2.gz AQWWFULAWDQGJS-UHFFFAOYSA-N 1 0 387.477 1.055 40 70 GDIBRO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000216835387 570307695 /nfs/dbraw/zinc/30/76/95/570307695.db2.gz RIHGOUURTVGBAD-UHFFFAOYSA-N 1 0 395.525 1.369 40 70 GDIBRO CCc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216934837 222579248 /nfs/dbraw/zinc/57/92/48/222579248.db2.gz KWKHOQKCVISYNH-UHFFFAOYSA-N 1 0 381.542 1.863 40 70 GDIBRO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216815035 570307620 /nfs/dbraw/zinc/30/76/20/570307620.db2.gz QAUXOFMRGSONRS-UHFFFAOYSA-N 1 0 397.541 1.615 40 70 GDIBRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216914081 570309373 /nfs/dbraw/zinc/30/93/73/570309373.db2.gz KLHZOLWUTPTXBC-INIZCTEOSA-N 1 0 394.541 1.211 40 70 GDIBRO Cc1cccc(C)c1N(CC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216936342 570310018 /nfs/dbraw/zinc/31/00/18/570310018.db2.gz JHTMSYFKUBCROC-UHFFFAOYSA-N 1 0 381.542 1.918 40 70 GDIBRO