smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000216821770 557156259 /nfs/dbraw/zinc/15/62/59/557156259.db2.gz LMXZXYUEVHNJAT-UHFFFAOYSA-N 1 0 444.395 2.060 40 70 IEIBRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)cc1C ZINC000216809983 557156271 /nfs/dbraw/zinc/15/62/71/557156271.db2.gz BNQYTKBQYFIOCD-UHFFFAOYSA-N 1 0 445.585 2.405 40 70 IEIBRO CCOc1ccccc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216935429 557163421 /nfs/dbraw/zinc/16/34/21/557163421.db2.gz KTIVJSXBFZLDKI-UHFFFAOYSA-N 1 0 446.573 2.242 40 70 IEIBRO Cc1cccc(C)c1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216936403 557163447 /nfs/dbraw/zinc/16/34/47/557163447.db2.gz LGSUVFDTOYWFDZ-UHFFFAOYSA-N 1 0 430.574 2.460 40 70 IEIBRO C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000217018466 557166760 /nfs/dbraw/zinc/16/67/60/557166760.db2.gz ZQKIEICDPNWYHI-UHFFFAOYSA-N 1 0 425.570 2.216 40 70 IEIBRO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)c1 ZINC000216833823 557157073 /nfs/dbraw/zinc/15/70/73/557157073.db2.gz LBABQCBOGJGACB-UHFFFAOYSA-N 1 0 433.530 2.085 40 70 IEIBRO COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1I ZINC000216941858 557164291 /nfs/dbraw/zinc/16/42/91/557164291.db2.gz XALJBKMFMZWYKQ-UHFFFAOYSA-N 1 0 438.331 2.310 40 70 IEIBRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043300606 563119965 /nfs/dbraw/zinc/11/99/65/563119965.db2.gz IQHXPLJJDASOCX-UHFFFAOYSA-N 1 0 446.508 2.102 40 70 IEIBRO CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000216814847 557156318 /nfs/dbraw/zinc/15/63/18/557156318.db2.gz CUQPYTWRRDREOY-UHFFFAOYSA-N 1 0 445.585 2.487 40 70 IEIBRO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000216810870 557156385 /nfs/dbraw/zinc/15/63/85/557156385.db2.gz KQXSGNQWQFOONG-UHFFFAOYSA-N 1 0 431.558 2.409 40 70 IEIBRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216867386 557159679 /nfs/dbraw/zinc/15/96/79/557159679.db2.gz BCKSWJKFUVQVGT-FQEVSTJZSA-N 1 0 436.622 2.007 40 70 IEIBRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000216935922 557163538 /nfs/dbraw/zinc/16/35/38/557163538.db2.gz AYXNJIJYABMUCF-UHFFFAOYSA-N 1 0 449.548 2.381 40 70 IEIBRO CN(c1ccccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216938752 557163873 /nfs/dbraw/zinc/16/38/73/557163873.db2.gz OEXKWACBMOJKOZ-UHFFFAOYSA-N 1 0 431.558 2.485 40 70 IEIBRO C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 ZINC000217018411 557166877 /nfs/dbraw/zinc/16/68/77/557166877.db2.gz PNSFRKCSYKTZBB-UHFFFAOYSA-N 1 0 425.570 2.216 40 70 IEIBRO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000216820471 557156310 /nfs/dbraw/zinc/15/63/10/557156310.db2.gz LUVICABSQMCYBN-HXUWFJFHSA-N 1 0 445.585 2.104 40 70 IEIBRO C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000216818875 557156327 /nfs/dbraw/zinc/15/63/27/557156327.db2.gz BWJLVUPOVXBMDZ-HXUWFJFHSA-N 1 0 435.977 2.440 40 70 IEIBRO C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000216818907 557156364 /nfs/dbraw/zinc/15/63/64/557156364.db2.gz BWJLVUPOVXBMDZ-FQEVSTJZSA-N 1 0 435.977 2.440 40 70 IEIBRO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)cc1Cl ZINC000216828076 557156672 /nfs/dbraw/zinc/15/66/72/557156672.db2.gz MSGWUYOXJRTKAS-HNNXBMFYSA-N 1 0 443.997 2.350 40 70 IEIBRO Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000216835687 557157029 /nfs/dbraw/zinc/15/70/29/557157029.db2.gz IGRDRFAPDYGPII-UHFFFAOYSA-N 1 0 443.569 2.336 40 70 IEIBRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216942555 557164678 /nfs/dbraw/zinc/16/46/78/557164678.db2.gz KWPVWKHDKPPOPO-AWEZNQCLSA-N 1 0 431.986 2.351 40 70 IEIBRO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216820951 557156292 /nfs/dbraw/zinc/15/62/92/557156292.db2.gz PASHMTYLBBPMBS-NRFANRHFSA-N 1 0 445.585 2.104 40 70 IEIBRO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000216828316 557156733 /nfs/dbraw/zinc/15/67/33/557156733.db2.gz KBKAQAPJCQBDGO-OAHLLOKOSA-N 1 0 443.997 2.350 40 70 IEIBRO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000216832450 557156936 /nfs/dbraw/zinc/15/69/36/557156936.db2.gz OFXVDGKLGUTMQL-UHFFFAOYSA-N 1 0 447.557 2.475 40 70 IEIBRO CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000216937164 557163610 /nfs/dbraw/zinc/16/36/10/557163610.db2.gz GQGDNUCKFSRIIX-UHFFFAOYSA-N 1 0 431.558 2.491 40 70 IEIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 ZINC000216936499 557163629 /nfs/dbraw/zinc/16/36/29/557163629.db2.gz VTVFTQVDBFVRFO-UHFFFAOYSA-N 1 0 432.384 2.063 40 70 IEIBRO COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCC1CC[NH+](C)CC1)=C2C ZINC000217030998 557167202 /nfs/dbraw/zinc/16/72/02/557167202.db2.gz NTJXRFDFUGSSNS-UHFFFAOYSA-N 1 0 437.562 2.063 40 70 IEIBRO C[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 ZINC000216839609 557157287 /nfs/dbraw/zinc/15/72/87/557157287.db2.gz BBQHCZFUGITOPB-UHFFFAOYSA-N 1 0 429.586 2.351 40 70 IEIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 ZINC000216837844 557157383 /nfs/dbraw/zinc/15/73/83/557157383.db2.gz ZXPCLWCSGNYFRE-UHFFFAOYSA-N 1 0 429.970 2.150 40 70 IEIBRO CCOc1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216935490 557163567 /nfs/dbraw/zinc/16/35/67/557163567.db2.gz JXKQWMCSQNYIQJ-UHFFFAOYSA-N 1 0 446.573 2.242 40 70 IEIBRO COc1ccc(C)cc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216936084 557163617 /nfs/dbraw/zinc/16/36/17/557163617.db2.gz MZTAKIBCIXXMJG-UHFFFAOYSA-N 1 0 446.573 2.160 40 70 IEIBRO COc1ccc(N([C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000216943470 557164668 /nfs/dbraw/zinc/16/46/68/557164668.db2.gz GMAQFMYEEFIHRH-AWEZNQCLSA-N 1 0 431.986 2.351 40 70 IEIBRO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000216820434 557156199 /nfs/dbraw/zinc/15/61/99/557156199.db2.gz LUVICABSQMCYBN-FQEVSTJZSA-N 1 0 445.585 2.104 40 70 IEIBRO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000216809806 557156283 /nfs/dbraw/zinc/15/62/83/557156283.db2.gz MQLGXEQIXRISRK-UHFFFAOYSA-N 1 0 445.585 2.405 40 70 IEIBRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)cc1Cl ZINC000216828038 557156687 /nfs/dbraw/zinc/15/66/87/557156687.db2.gz MSGWUYOXJRTKAS-OAHLLOKOSA-N 1 0 443.997 2.350 40 70 IEIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 ZINC000216833065 557157082 /nfs/dbraw/zinc/15/70/82/557157082.db2.gz JQCCPNVOKNWZQM-UHFFFAOYSA-N 1 0 429.542 2.027 40 70 IEIBRO COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000216933684 557163182 /nfs/dbraw/zinc/16/31/82/557163182.db2.gz VMGKDJPLXXGKQY-UHFFFAOYSA-N 1 0 431.558 2.409 40 70 IEIBRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000217014143 557166463 /nfs/dbraw/zinc/16/64/63/557166463.db2.gz BBNVZVDUUMVWSM-UHFFFAOYSA-N 1 0 445.585 2.405 40 70 IEIBRO CN(c1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000216938635 557163805 /nfs/dbraw/zinc/16/38/05/557163805.db2.gz KABNGUBVBLVKTF-UHFFFAOYSA-N 1 0 431.558 2.485 40 70 IEIBRO COc1cc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC ZINC000217692371 557173327 /nfs/dbraw/zinc/17/33/27/557173327.db2.gz WBIHFVSNQDFSIS-JENIJYKNSA-N 1 0 445.560 2.446 40 70 IEIBRO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000216828636 557156639 /nfs/dbraw/zinc/15/66/39/557156639.db2.gz DBAIDPVFPYTOEA-UHFFFAOYSA-N 1 0 437.606 2.430 40 70 IEIBRO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CC[NH+](C)CC1 ZINC000216835536 557156890 /nfs/dbraw/zinc/15/68/90/557156890.db2.gz MRBAXTSRRFUGDQ-UHFFFAOYSA-N 1 0 431.558 2.063 40 70 IEIBRO COc1ccc(N([C@H](C)C(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000216943492 557164699 /nfs/dbraw/zinc/16/46/99/557164699.db2.gz GMAQFMYEEFIHRH-CQSZACIVSA-N 1 0 431.986 2.351 40 70 IEIBRO COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1OC ZINC000217709072 557173358 /nfs/dbraw/zinc/17/33/58/557173358.db2.gz BILVACWSJNEWCP-PCCBWWKXSA-N 1 0 443.588 2.476 40 70 IEIBRO C[NH+]1CCN(c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000216935126 557163069 /nfs/dbraw/zinc/16/30/69/557163069.db2.gz GVJSDHIFGYHBGE-UHFFFAOYSA-N 1 0 436.965 2.497 40 70 IEIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000216935192 557163631 /nfs/dbraw/zinc/16/36/31/557163631.db2.gz ASSDQGSDRLFBCH-UHFFFAOYSA-N 1 0 432.384 2.063 40 70 IEIBRO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216830985 557156776 /nfs/dbraw/zinc/15/67/76/557156776.db2.gz UERSQFCHMFYRQR-UHFFFAOYSA-N 1 0 431.558 2.097 40 70 IEIBRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000216842391 557157395 /nfs/dbraw/zinc/15/73/95/557157395.db2.gz RGASKTTZWSKZSO-UHFFFAOYSA-N 1 0 431.558 2.040 40 70 IEIBRO CCc1ccccc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216934891 557163146 /nfs/dbraw/zinc/16/31/46/557163146.db2.gz MOPDVBLKXXZHIY-UHFFFAOYSA-N 1 0 430.574 2.406 40 70 IEIBRO C[NH+]1CCC(CCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000216935156 557163200 /nfs/dbraw/zinc/16/32/00/557163200.db2.gz WABMWHJZRVNOFM-UHFFFAOYSA-N 1 0 432.384 2.063 40 70 IEIBRO COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216936615 557163641 /nfs/dbraw/zinc/16/36/41/557163641.db2.gz SZHXILFDKUWOOZ-QGZVFWFLSA-N 1 0 446.573 2.240 40 70 IEIBRO Cc1cc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)ccc1Br ZINC000216938949 557163854 /nfs/dbraw/zinc/16/38/54/557163854.db2.gz GRCRWIIRGSAPKI-UHFFFAOYSA-N 1 0 446.411 2.372 40 70 IEIBRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1 ZINC000216938045 557163956 /nfs/dbraw/zinc/16/39/56/557163956.db2.gz SVLVEBFQYKSLIU-UHFFFAOYSA-N 1 0 449.548 2.381 40 70 IEIBRO CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000216949696 557165262 /nfs/dbraw/zinc/16/52/62/557165262.db2.gz XVGWLMARMSBHIA-UHFFFAOYSA-N 1 0 433.530 2.329 40 70 IEIBRO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216800352 557155906 /nfs/dbraw/zinc/15/59/06/557155906.db2.gz IWRMTHUIKOVTCG-UHFFFAOYSA-N 1 0 445.585 2.139 40 70 IEIBRO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216820989 557156211 /nfs/dbraw/zinc/15/62/11/557156211.db2.gz PASHMTYLBBPMBS-OAQYLSRUSA-N 1 0 445.585 2.104 40 70 IEIBRO Cc1cc(C)cc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000216934672 557163191 /nfs/dbraw/zinc/16/31/91/557163191.db2.gz JACRUTQWIRARSR-UHFFFAOYSA-N 1 0 430.574 2.460 40 70 IEIBRO CNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000216949723 557165318 /nfs/dbraw/zinc/16/53/18/557165318.db2.gz ZWISQSGPROJAHD-UHFFFAOYSA-N 1 0 447.557 2.006 40 70 IEIBRO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000216826800 557156783 /nfs/dbraw/zinc/15/67/83/557156783.db2.gz CQINEYGDPGYENJ-UHFFFAOYSA-N 1 0 443.997 2.350 40 70 IEIBRO COc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000216937744 557163766 /nfs/dbraw/zinc/16/37/66/557163766.db2.gz YQHRVVRDDAVMJD-UHFFFAOYSA-N 1 0 431.558 2.409 40 70 IEIBRO CCc1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216937605 557163948 /nfs/dbraw/zinc/16/39/48/557163948.db2.gz AYHGIKKIOZJNDQ-UHFFFAOYSA-N 1 0 430.574 2.406 40 70 IEIBRO CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000216940306 557164202 /nfs/dbraw/zinc/16/42/02/557164202.db2.gz SDLOSSXZAFCWRD-UHFFFAOYSA-N 1 0 446.573 2.411 40 70 IEIBRO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000216797720 557155898 /nfs/dbraw/zinc/15/58/98/557155898.db2.gz RBMJQUBWQBEMCN-UHFFFAOYSA-N 1 0 429.586 2.439 40 70 IEIBRO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)cc1Cl ZINC000216827885 557156603 /nfs/dbraw/zinc/15/66/03/557156603.db2.gz XUIXUDYVOQEGNZ-UHFFFAOYSA-N 1 0 443.997 2.350 40 70 IEIBRO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000216828350 557156681 /nfs/dbraw/zinc/15/66/81/557156681.db2.gz KBKAQAPJCQBDGO-HNNXBMFYSA-N 1 0 443.997 2.350 40 70 IEIBRO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000216832144 557157061 /nfs/dbraw/zinc/15/70/61/557157061.db2.gz AMQHPLMMWYXTQM-UHFFFAOYSA-N 1 0 433.530 2.085 40 70 IEIBRO COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000216932884 557162738 /nfs/dbraw/zinc/16/27/38/557162738.db2.gz FPFOHAVAMXTTFK-UHFFFAOYSA-N 1 0 447.557 2.110 40 70 IEIBRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000216935791 557163511 /nfs/dbraw/zinc/16/35/11/557163511.db2.gz DMKQSKAVPMXNAK-UHFFFAOYSA-N 1 0 449.548 2.381 40 70 IEIBRO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216942575 557164622 /nfs/dbraw/zinc/16/46/22/557164622.db2.gz KWPVWKHDKPPOPO-CQSZACIVSA-N 1 0 431.986 2.351 40 70 IEIBRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043300477 563119897 /nfs/dbraw/zinc/11/98/97/563119897.db2.gz XLBWQEGQTYJCBL-UHFFFAOYSA-N 1 0 446.508 2.102 40 70 IEIBRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 ZINC000044201864 563121745 /nfs/dbraw/zinc/12/17/45/563121745.db2.gz HZWVVBOMSDGROE-UHFFFAOYSA-N 1 0 446.508 2.102 40 70 IEIBRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000216800174 557155945 /nfs/dbraw/zinc/15/59/45/557155945.db2.gz YGDBJQZXYPZJNA-UHFFFAOYSA-N 1 0 431.558 2.097 40 70 IEIBRO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000216829947 557156741 /nfs/dbraw/zinc/15/67/41/557156741.db2.gz CXXCPKBZWFFVLQ-KRWDZBQOSA-N 1 0 431.558 2.315 40 70 IEIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000216832609 557157001 /nfs/dbraw/zinc/15/70/01/557157001.db2.gz XVFXSOZXQKNBIG-UHFFFAOYSA-N 1 0 443.569 2.417 40 70 IEIBRO C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 ZINC000216837572 557157303 /nfs/dbraw/zinc/15/73/03/557157303.db2.gz LYBLIJWZSHEFOB-UHFFFAOYSA-N 1 0 429.970 2.104 40 70 IEIBRO COc1ccc(OC)c(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000216932851 557162708 /nfs/dbraw/zinc/16/27/08/557162708.db2.gz VDTZKZYMQOUWBY-UHFFFAOYSA-N 1 0 447.557 2.110 40 70 IEIBRO CCOc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000216932819 557162728 /nfs/dbraw/zinc/16/27/28/557162728.db2.gz QLXHEWJILBBYHO-UHFFFAOYSA-N 1 0 431.558 2.491 40 70 IEIBRO CCOc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216932787 557162833 /nfs/dbraw/zinc/16/28/33/557162833.db2.gz NAPMWSLHWDODAK-UHFFFAOYSA-N 1 0 431.558 2.491 40 70 IEIBRO C[NH+]1CCC(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000216936303 557163585 /nfs/dbraw/zinc/16/35/85/557163585.db2.gz NCUWBBOAVSZXSN-UHFFFAOYSA-N 1 0 427.876 2.335 40 70 IEIBRO Cc1cccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1C ZINC000216936746 557163625 /nfs/dbraw/zinc/16/36/25/557163625.db2.gz FLVSAJXKCVTEPH-UHFFFAOYSA-N 1 0 430.574 2.460 40 70 IEIBRO CC(=O)c1cccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000216939139 557163886 /nfs/dbraw/zinc/16/38/86/557163886.db2.gz GCYBUSZNMGAZJO-UHFFFAOYSA-N 1 0 444.557 2.046 40 70 IEIBRO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000216829916 557156658 /nfs/dbraw/zinc/15/66/58/557156658.db2.gz CXXCPKBZWFFVLQ-QGZVFWFLSA-N 1 0 431.558 2.315 40 70 IEIBRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216867359 557159752 /nfs/dbraw/zinc/15/97/52/557159752.db2.gz BCKSWJKFUVQVGT-HXUWFJFHSA-N 1 0 436.622 2.007 40 70 IEIBRO COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216936593 557163435 /nfs/dbraw/zinc/16/34/35/557163435.db2.gz SZHXILFDKUWOOZ-KRWDZBQOSA-N 1 0 446.573 2.240 40 70 IEIBRO C[NH+]1CCC(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000216939205 557163972 /nfs/dbraw/zinc/16/39/72/557163972.db2.gz ZQTMERFRDQLNSO-UHFFFAOYSA-N 1 0 431.558 2.242 40 70 IEIBRO