smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000095428145 568608354 /nfs/dbraw/zinc/60/83/54/568608354.db2.gz TZNUQJNDKDUZCA-UHFFFAOYSA-N -1 2 421.324 3.130 50 0 HGAALM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 ZINC000012605721 568871069 /nfs/dbraw/zinc/87/10/69/568871069.db2.gz ZNZHVJHJFLPPAI-CHWSQXEVSA-N -1 2 406.485 3.154 50 0 HGAALM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000085603116 560772010 /nfs/dbraw/zinc/77/20/10/560772010.db2.gz BHQCQFFYRZLCQQ-GBVVVNTCSA-N -1 2 408.579 3.449 50 0 biogenic HGAALM COc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(C(=O)[O-])c1OC ZINC000095452396 568509430 /nfs/dbraw/zinc/50/94/30/568509430.db2.gz KSQZXEYCXCKVDL-UHFFFAOYSA-N -1 2 422.242 3.215 50 0 HGAALM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000095469148 568625468 /nfs/dbraw/zinc/62/54/68/568625468.db2.gz OGLJDNWILOSUCB-UHFFFAOYSA-N -1 2 411.361 3.390 50 0 HGAALM CC[NH+]1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353124 569147543 /nfs/dbraw/zinc/14/75/43/569147543.db2.gz YYHIJXYAODLUGM-QFIPXVFZSA-N -1 2 421.497 3.151 50 0 HGAALM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-] ZINC000035397353 569034867 /nfs/dbraw/zinc/03/48/67/569034867.db2.gz OJUIPJFCNNGRKS-UHFFFAOYSA-N -1 2 403.485 3.279 50 0 HGAALM CCCCN(CC)c1ncc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000035397502 569034988 /nfs/dbraw/zinc/03/49/88/569034988.db2.gz MSGUAAYIXHOWTB-UHFFFAOYSA-N -1 2 413.446 3.485 50 0 HGAALM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 ZINC000012605723 568871185 /nfs/dbraw/zinc/87/11/85/568871185.db2.gz ZNZHVJHJFLPPAI-OLZOCXBDSA-N -1 2 406.485 3.154 50 0 HGAALM Cc1cc(S(=O)(=O)Nc2ccc(I)cc2)sc1C(=O)[O-] ZINC000037225802 569240855 /nfs/dbraw/zinc/24/08/55/569240855.db2.gz MTOLFWIEOUMUPL-UHFFFAOYSA-N -1 2 423.253 3.160 50 0 HGAALM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032586101 518447333 /nfs/dbraw/zinc/44/73/33/518447333.db2.gz MTKFUPQBFKZBGE-UHFFFAOYSA-N -1 2 404.263 3.212 50 0 HGAALM Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCCC3)cc2)no1 ZINC000013253751 558527914 /nfs/dbraw/zinc/52/79/14/558527914.db2.gz DNYJLCAGGKMWFG-UHFFFAOYSA-N -1 2 421.475 3.148 50 0 HGAALM Cn1nccc1[C@@H](CC(=O)[O-])c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221784 568705325 /nfs/dbraw/zinc/70/53/25/568705325.db2.gz BMBMWYUKUXZGSV-OAHLLOKOSA-N -1 2 406.394 3.211 50 0 biogenic HGAALM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 ZINC000012605720 568871153 /nfs/dbraw/zinc/87/11/53/568871153.db2.gz ZNZHVJHJFLPPAI-STQMWFEESA-N -1 2 406.485 3.154 50 0 HGAALM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 ZINC000012605719 568871159 /nfs/dbraw/zinc/87/11/59/568871159.db2.gz ZNZHVJHJFLPPAI-QWHCGFSZSA-N -1 2 406.485 3.154 50 0 HGAALM Cc1cc(S(=O)(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000072312979 558838318 /nfs/dbraw/zinc/83/83/18/558838318.db2.gz WWPKLAHQDGOYNJ-XMMPIXPASA-N -1 2 413.420 3.183 50 0 HGAALM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032586854 518472457 /nfs/dbraw/zinc/47/24/57/518472457.db2.gz XZRHYKRUAXEXSR-UHFFFAOYSA-N -1 2 404.263 3.212 50 0 HGAALM O=S(=O)(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000056327907 568801482 /nfs/dbraw/zinc/80/14/82/568801482.db2.gz POHUCDHQPYNNJB-UHFFFAOYSA-N -1 2 414.358 3.094 50 0 HGAALM Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000252694902 525952296 /nfs/dbraw/zinc/95/22/96/525952296.db2.gz RQVGNTTVCVTBNI-HAQNSBGRSA-N -1 2 407.850 3.010 50 0 biogenic HGAALM CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009108786 132335747 /nfs/dbraw/zinc/33/57/47/132335747.db2.gz NDRGTCKGBIKGFY-FOCLMDBBSA-N -1 2 413.817 3.397 50 0 HGAALM COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000047202311 560884423 /nfs/dbraw/zinc/88/44/23/560884423.db2.gz ONGPAJHZAPIQJI-UHFFFAOYSA-N -1 2 404.213 3.096 50 0 HGAALM CCc1cc2c(cc1O)oc(COCC(=O)[O-])c(-c1nc3ccccc3n1C)c2=O ZINC000020109652 568588493 /nfs/dbraw/zinc/58/84/93/568588493.db2.gz ZHQOPCRBZJDVJM-UHFFFAOYSA-N -1 2 408.410 3.216 50 0 HGAALM COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)[O-])S3)[C@@H](c3ccccc3)C2)cc1 ZINC000252493909 569290698 /nfs/dbraw/zinc/29/06/98/569290698.db2.gz NGHDDHMVLIPUQN-MSOLQXFVSA-N -1 2 409.467 3.319 50 0 HGAALM O=C(COc1ccccc1[P@](=O)([O-])O)N(Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000009183661 571234525 /nfs/dbraw/zinc/23/45/25/571234525.db2.gz XRGNPSFFHAPXQZ-LJQANCHMSA-N -1 2 415.426 3.254 50 0 HGAALM O=C(COc1ccccc1[P@@](=O)([O-])O)N(Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000009183661 571234526 /nfs/dbraw/zinc/23/45/26/571234526.db2.gz XRGNPSFFHAPXQZ-LJQANCHMSA-N -1 2 415.426 3.254 50 0 HGAALM O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1ccc2c(c1)OCO2 ZINC000101264758 560790830 /nfs/dbraw/zinc/79/08/30/560790830.db2.gz NPQWSWSOALBRRO-ZBFHGGJFSA-N -1 2 405.193 3.015 50 0 HGAALM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)cnc1N1CCCCCC1 ZINC000035397440 569034815 /nfs/dbraw/zinc/03/48/15/569034815.db2.gz IASYUCHCBJJHKX-UHFFFAOYSA-N -1 2 411.430 3.239 50 0 HGAALM O=C(COc1ccccc1[P@](=O)([O-])O)N(Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000009183660 571234489 /nfs/dbraw/zinc/23/44/89/571234489.db2.gz XRGNPSFFHAPXQZ-IBGZPJMESA-N -1 2 415.426 3.254 50 0 HGAALM O=C(COc1ccccc1[P@@](=O)([O-])O)N(Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000009183660 571234491 /nfs/dbraw/zinc/23/44/91/571234491.db2.gz XRGNPSFFHAPXQZ-IBGZPJMESA-N -1 2 415.426 3.254 50 0 HGAALM COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032586259 523844345 /nfs/dbraw/zinc/84/43/45/523844345.db2.gz KRKIIBORGPANQV-UHFFFAOYSA-N -1 2 406.279 3.327 50 0 HGAALM Cc1cc(S(=O)(=O)Nc2cccc(I)c2)sc1C(=O)[O-] ZINC000037238987 569241568 /nfs/dbraw/zinc/24/15/68/569241568.db2.gz ZAMWHWCAPAYRHM-UHFFFAOYSA-N -1 2 423.253 3.160 50 0 HGAALM O=S(=O)(c1cc(Br)ccc1[O-])c1cc(Br)ccc1O ZINC000001587803 559030296 /nfs/dbraw/zinc/03/02/96/559030296.db2.gz NZPRBTZJWXINLY-UHFFFAOYSA-N -1 2 408.067 3.456 50 0 HGAALM Cn1nccc1[C@H](CC(=O)[O-])c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221785 568705241 /nfs/dbraw/zinc/70/52/41/568705241.db2.gz BMBMWYUKUXZGSV-HNNXBMFYSA-N -1 2 406.394 3.211 50 0 biogenic HGAALM CC[NH+]1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036353127 569147566 /nfs/dbraw/zinc/14/75/66/569147566.db2.gz YYHIJXYAODLUGM-JOCHJYFZSA-N -1 2 421.497 3.151 50 0 HGAALM COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@@H](c3ccccc3)C2)cc1 ZINC000252493910 569290732 /nfs/dbraw/zinc/29/07/32/569290732.db2.gz NGHDDHMVLIPUQN-QZTJIDSGSA-N -1 2 409.467 3.319 50 0 HGAALM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc(OC)c1 ZINC000032586193 522753817 /nfs/dbraw/zinc/75/38/17/522753817.db2.gz LBNRDSQRBPZWQG-UHFFFAOYSA-N -1 2 422.278 3.027 50 0 HGAALM O=C([O-])Cn1c(CCCCc2[nH+]c3ccccc3n2CC(=O)[O-])nc2ccccc21 ZINC000004535247 557564226 /nfs/dbraw/zinc/56/42/26/557564226.db2.gz IXOTYZBGMPXQDA-UHFFFAOYSA-N -1 2 406.442 3.121 50 0 HGAALM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2cc(F)ccc2F)cc1OC(F)F ZINC000040115200 568619993 /nfs/dbraw/zinc/61/99/93/568619993.db2.gz FRIALNFLWSKPCM-UHFFFAOYSA-N -1 2 409.313 3.074 50 0 HGAALM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(OC)cc1Br ZINC000027587902 558676680 /nfs/dbraw/zinc/67/66/80/558676680.db2.gz SOXISZRSGNJVJR-UHFFFAOYSA-N -1 2 407.673 3.316 50 0 HGAALM O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl ZINC000095471520 568509502 /nfs/dbraw/zinc/50/95/02/568509502.db2.gz GJINMEYXSFFBRM-JYRVWZFOSA-N -1 2 420.208 3.270 50 0 HGAALM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1Cl ZINC000253420320 569367831 /nfs/dbraw/zinc/36/78/31/569367831.db2.gz HLBYQSFKMIGFMY-UHFFFAOYSA-N -1 2 410.814 3.072 50 0 HGAALM CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032586482 521554098 /nfs/dbraw/zinc/55/40/98/521554098.db2.gz ABOTXIBOEYKHSK-UHFFFAOYSA-N -1 2 406.279 3.408 50 0 HGAALM Cc1cc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000072312978 558838316 /nfs/dbraw/zinc/83/83/16/558838316.db2.gz WWPKLAHQDGOYNJ-DEOSSOPVSA-N -1 2 413.420 3.183 50 0 HGAALM CCN(CC)c1ncc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000035397657 569035006 /nfs/dbraw/zinc/03/50/06/569035006.db2.gz IVDJSPBSBRLYMD-UHFFFAOYSA-N -1 2 413.883 3.089 50 0 HGAALM COc1c(F)cc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000170623104 569249671 /nfs/dbraw/zinc/24/96/71/569249671.db2.gz NWJBAQZBUIQIMD-UHFFFAOYSA-N -1 2 404.213 3.096 50 0 HGAALM COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@H](c3ccccc3)C2)cc1 ZINC000252493912 569290759 /nfs/dbraw/zinc/29/07/59/569290759.db2.gz NGHDDHMVLIPUQN-ZWKOTPCHSA-N -1 2 409.467 3.319 50 0 HGAALM COc1ccc(Br)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055688614 568781746 /nfs/dbraw/zinc/78/17/46/568781746.db2.gz CSGNGSLZAXZKMH-UHFFFAOYSA-N -1 2 406.279 3.327 50 0 HGAALM COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)[O-])S3)[C@H](c3ccccc3)C2)cc1 ZINC000252493911 569290717 /nfs/dbraw/zinc/29/07/17/569290717.db2.gz NGHDDHMVLIPUQN-ROUUACIJSA-N -1 2 409.467 3.319 50 0 HGAALM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)sc1Cl)OCCO2 ZINC000023268971 558547138 /nfs/dbraw/zinc/54/71/38/558547138.db2.gz KADKNUZAMOZQGF-UHFFFAOYSA-N -1 2 410.256 3.325 50 0 HGAALM COc1cc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851825 /nfs/dbraw/zinc/85/18/25/560851825.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N -1 2 420.937 3.132 50 0 HGAALM CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000089272096 569053876 /nfs/dbraw/zinc/05/38/76/569053876.db2.gz HIGBCUUJZWHCOE-UHFFFAOYSA-N -1 2 418.240 3.486 50 0 HGAALM CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2c1 ZINC000034864610 558785889 /nfs/dbraw/zinc/78/58/89/558785889.db2.gz QZNCKMCKDKZJLA-UHFFFAOYSA-N -1 2 408.457 3.203 50 0 HGAALM O=C([O-])c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1N1CCSCC1 ZINC000058404387 558924398 /nfs/dbraw/zinc/92/43/98/558924398.db2.gz URIUFGXPPDSPFX-UHFFFAOYSA-N -1 2 414.455 3.017 50 0 HGAALM O=C([O-])c1ccccc1C(=O)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000390822366 569070077 /nfs/dbraw/zinc/07/00/77/569070077.db2.gz MPUQSEQBOWCKMR-UHFFFAOYSA-N -1 2 402.453 3.068 50 0 HGAALM Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000002115425 569284608 /nfs/dbraw/zinc/28/46/08/569284608.db2.gz WABXCPBYQFBXNG-LJQANCHMSA-N -1 2 415.829 3.335 50 0 biogenic HGAALM O=C(COc1ccccc1[P@](=O)([O-])O)N(Cc1ccccc1)Cc1ccccc1 ZINC000009134459 571229300 /nfs/dbraw/zinc/22/93/00/571229300.db2.gz NTCXVEKDMVYQLY-UHFFFAOYSA-N -1 2 411.394 3.097 50 0 HGAALM O=C(COc1ccccc1[P@@](=O)([O-])O)N(Cc1ccccc1)Cc1ccccc1 ZINC000009134459 571229303 /nfs/dbraw/zinc/22/93/03/571229303.db2.gz NTCXVEKDMVYQLY-UHFFFAOYSA-N -1 2 411.394 3.097 50 0 HGAALM O=C(COc1ccccc1[P@](=O)([O-])O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009306431 560211192 /nfs/dbraw/zinc/21/11/92/560211192.db2.gz JQGAEOCOPMLHLZ-UHFFFAOYSA-N -1 2 409.684 3.179 50 0 in-vitro HGAALM O=C(COc1ccccc1[P@@](=O)([O-])O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009306431 560211193 /nfs/dbraw/zinc/21/11/93/560211193.db2.gz JQGAEOCOPMLHLZ-UHFFFAOYSA-N -1 2 409.684 3.179 50 0 in-vitro HGAALM CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000047202361 560884421 /nfs/dbraw/zinc/88/44/21/560884421.db2.gz ZPUJIVTWNUPTAR-UHFFFAOYSA-N -1 2 418.240 3.486 50 0 HGAALM COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC000096011301 568683985 /nfs/dbraw/zinc/68/39/85/568683985.db2.gz MPRVPPMVLNOPAM-UHFFFAOYSA-N -1 2 404.213 3.096 50 0 HGAALM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(Cc2cccc3cccnc32)n1 ZINC000058300302 558917608 /nfs/dbraw/zinc/91/76/08/558917608.db2.gz FIBFNRXUTMYJHG-UHFFFAOYSA-N -1 2 422.466 3.287 50 0 HGAALM O=C(COc1ccccc1[P@](=O)([O-])O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009419871 571256745 /nfs/dbraw/zinc/25/67/45/571256745.db2.gz ZWPCHHMEZLFNKQ-UHFFFAOYSA-N -1 2 410.577 3.467 50 0 HGAALM O=C(COc1ccccc1[P@@](=O)([O-])O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009419871 571256747 /nfs/dbraw/zinc/25/67/47/571256747.db2.gz ZWPCHHMEZLFNKQ-UHFFFAOYSA-N -1 2 410.577 3.467 50 0 HGAALM CCN1C(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C(C(=O)O)=C1C(=O)[O-] ZINC000003776693 557498526 /nfs/dbraw/zinc/49/85/26/557498526.db2.gz OIDMNXKQVHXWLV-HNNXBMFYSA-N -1 2 407.850 3.408 50 0 HGAALM CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)O)=C1C(=O)[O-] ZINC000003993547 557504221 /nfs/dbraw/zinc/50/42/21/557504221.db2.gz OIDMNXKQVHXWLV-OAHLLOKOSA-N -1 2 407.850 3.408 50 0 HGAALM O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1 ZINC000024346314 560628654 /nfs/dbraw/zinc/62/86/54/560628654.db2.gz FOSMPBCSZJXERD-UHFFFAOYSA-N -1 2 418.500 3.232 50 0 HGAALM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1I ZINC000013300741 560805861 /nfs/dbraw/zinc/80/58/61/560805861.db2.gz QPZVLHWEPMONPJ-UHFFFAOYSA-N -1 2 423.253 3.160 50 0 HGAALM COc1cc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)cc(C(=O)[O-])c1OC ZINC000083921303 568925650 /nfs/dbraw/zinc/92/56/50/568925650.db2.gz ZJAFDGGCKQUNID-UHFFFAOYSA-N -1 2 423.491 3.364 50 0 HGAALM COc1cc(S(=O)(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc(C(=O)[O-])c1OC ZINC000083921303 568925651 /nfs/dbraw/zinc/92/56/51/568925651.db2.gz ZJAFDGGCKQUNID-UHFFFAOYSA-N -1 2 423.491 3.364 50 0 HGAALM COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000089587169 569070770 /nfs/dbraw/zinc/07/07/70/569070770.db2.gz QPAOWKFIKVJQRJ-UHFFFAOYSA-N -1 2 412.851 3.114 50 0 HGAALM Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000002114030 569284256 /nfs/dbraw/zinc/28/42/56/569284256.db2.gz HZVGPXGUCCXZIQ-UHFFFAOYSA-N -1 2 421.877 3.400 50 0 biogenic HGAALM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(Br)c1 ZINC000097150734 558997241 /nfs/dbraw/zinc/99/72/41/558997241.db2.gz BCZQTLNGDZBGPU-UHFFFAOYSA-N -1 2 407.245 3.496 50 0 HGAALM COc1cc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])cc1OC ZINC000013267714 560804904 /nfs/dbraw/zinc/80/49/04/560804904.db2.gz ICZMENGLBDIEFM-UHFFFAOYSA-N -1 2 422.278 3.027 50 0 HGAALM Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002115423 569284640 /nfs/dbraw/zinc/28/46/40/569284640.db2.gz WABXCPBYQFBXNG-IBGZPJMESA-N -1 2 415.829 3.335 50 0 biogenic HGAALM Cc1cc(I)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000035038001 568835849 /nfs/dbraw/zinc/83/58/49/568835849.db2.gz SSQNRBZNWLUMMQ-UHFFFAOYSA-N -1 2 423.253 3.160 50 0 HGAALM CCCN(CCC)c1ncc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000035397394 569034861 /nfs/dbraw/zinc/03/48/61/569034861.db2.gz FOOYYHZMRRVJHA-UHFFFAOYSA-N -1 2 413.446 3.485 50 0 HGAALM