smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CN(C)C)Oc1ccc(O[C@@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O ZINC000004783347 557597585 /nfs/dbraw/zinc/59/75/85/557597585.db2.gz BHJBHNPPUHUGQH-HOTGVXAUSA-N 1 1 410.514 3.120 40 10 HGCBMO O=C([C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1)N1CCCCCC1 ZINC000019658345 558950232 /nfs/dbraw/zinc/95/02/32/558950232.db2.gz SWSOEIFJHQXBCL-HXUWFJFHSA-N 1 1 403.542 3.277 40 10 HGCBMO CCN1CCc2cc(C[N@H+]3CC[C@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)ccc21 ZINC000257344070 568817145 /nfs/dbraw/zinc/81/71/45/568817145.db2.gz ZVQNIUJVEKMQKJ-XMMPIXPASA-N 1 1 410.562 3.361 40 10 HGCBMO CN1CCCc2cc(C[N@H+]3CCC[C@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc21 ZINC000248143324 569316533 /nfs/dbraw/zinc/31/65/33/569316533.db2.gz QWPHDLOJVSVQCU-DEOSSOPVSA-N 1 1 420.557 3.274 40 10 HGCBMO C[C@H](CN(C)C)Oc1ccc(O[C@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O ZINC000004783350 557597618 /nfs/dbraw/zinc/59/76/18/557597618.db2.gz BHJBHNPPUHUGQH-HZPDHXFCSA-N 1 1 410.514 3.120 40 10 HGCBMO Cc1cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000019567597 558926834 /nfs/dbraw/zinc/92/68/34/558926834.db2.gz FFWJMEFABGKJLS-UHFFFAOYSA-N 1 1 405.546 3.219 40 10 HGCBMO Cc1cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000019567597 558926836 /nfs/dbraw/zinc/92/68/36/558926836.db2.gz FFWJMEFABGKJLS-UHFFFAOYSA-N 1 1 405.546 3.219 40 10 HGCBMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1O ZINC000072393259 558972808 /nfs/dbraw/zinc/97/28/08/558972808.db2.gz NWKHXKPSCFZPPY-MRXNPFEDSA-N 1 1 406.486 3.316 40 10 HGCBMO Oc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675125 291246201 /nfs/dbraw/zinc/24/62/01/291246201.db2.gz PYXNYHUEPFPEHT-WBVHZDCISA-N 1 1 403.841 3.466 40 10 biogenic,in-vitro HGCBMO Oc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675125 291246202 /nfs/dbraw/zinc/24/62/02/291246202.db2.gz PYXNYHUEPFPEHT-WBVHZDCISA-N 1 1 403.841 3.466 40 10 biogenic,in-vitro HGCBMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(N4CCCC4)cc2)C3)CC1 ZINC000012117821 132354352 /nfs/dbraw/zinc/35/43/52/132354352.db2.gz DALUSHZCTPFKMV-UHFFFAOYSA-N 1 1 407.562 3.165 40 10 HGCBMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(N4CCCC4)cc2)C3)CC1 ZINC000012117821 132354353 /nfs/dbraw/zinc/35/43/53/132354353.db2.gz DALUSHZCTPFKMV-UHFFFAOYSA-N 1 1 407.562 3.165 40 10 HGCBMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044910839 526683373 /nfs/dbraw/zinc/68/33/73/526683373.db2.gz OPEFAKGGHXGRFR-OAQYLSRUSA-N 1 1 411.521 3.191 40 10 HGCBMO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1CN(C)C ZINC000012182527 558343380 /nfs/dbraw/zinc/34/33/80/558343380.db2.gz QMOJZSQTXLHMDR-KNQAVFIVSA-N 1 1 403.473 3.145 40 10 HGCBMO CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332995 568813982 /nfs/dbraw/zinc/81/39/82/568813982.db2.gz XZPKEJZGWOVXMS-AZUAARDMSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000257332995 568813984 /nfs/dbraw/zinc/81/39/84/568813984.db2.gz XZPKEJZGWOVXMS-AZUAARDMSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332995 568813986 /nfs/dbraw/zinc/81/39/86/568813986.db2.gz XZPKEJZGWOVXMS-AZUAARDMSA-N 1 1 423.561 3.267 40 10 HGCBMO Cc1cc(N2CCCC2)ccc1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000012222982 558356474 /nfs/dbraw/zinc/35/64/74/558356474.db2.gz AGOJJFGNEUGLGC-UHFFFAOYSA-N 1 1 401.514 3.299 40 10 HGCBMO Cc1cc(N2CCCC2)ccc1C[N@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000012222982 558356477 /nfs/dbraw/zinc/35/64/77/558356477.db2.gz AGOJJFGNEUGLGC-UHFFFAOYSA-N 1 1 401.514 3.299 40 10 HGCBMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O ZINC000005846939 557677211 /nfs/dbraw/zinc/67/72/11/557677211.db2.gz SDOGGPXXQRCOGV-OAHLLOKOSA-N 1 1 408.498 3.408 40 10 HGCBMO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)CC2)cc1 ZINC000038851155 558818903 /nfs/dbraw/zinc/81/89/03/558818903.db2.gz NPCVFYOCXCTPCK-FQEVSTJZSA-N 1 1 411.521 3.395 40 10 HGCBMO CCN(CC)c1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)c(O)c1 ZINC000072347215 558943887 /nfs/dbraw/zinc/94/38/87/558943887.db2.gz RRIPQWQDFFPZOL-UHFFFAOYSA-N 1 1 411.550 3.283 40 10 HGCBMO COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)c4cc(C)no4)CC3)CC2)cc1 ZINC000072338564 558938305 /nfs/dbraw/zinc/93/83/05/558938305.db2.gz SZBISYUMKNAXTB-UHFFFAOYSA-N 1 1 412.534 3.056 40 10 HGCBMO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000012133108 558333338 /nfs/dbraw/zinc/33/33/38/558333338.db2.gz UACVAYRXVZUVLM-UHFFFAOYSA-N 1 1 424.526 3.027 40 10 HGCBMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)CC2)cc1 ZINC000038851153 558818789 /nfs/dbraw/zinc/81/87/89/558818789.db2.gz NPCVFYOCXCTPCK-HXUWFJFHSA-N 1 1 411.521 3.395 40 10 HGCBMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC000585292767 559124443 /nfs/dbraw/zinc/12/44/43/559124443.db2.gz NTCCBCAWPYCJOB-QGPMSJSTSA-N 1 1 401.812 3.386 40 10 HGCBMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC000585292767 559124444 /nfs/dbraw/zinc/12/44/44/559124444.db2.gz NTCCBCAWPYCJOB-QGPMSJSTSA-N 1 1 401.812 3.386 40 10 HGCBMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101834217 559147983 /nfs/dbraw/zinc/14/79/83/559147983.db2.gz IOFXHVOUKVMSKF-ZBJSNUHESA-N 1 1 404.514 3.023 40 10 HGCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 ZINC000107898081 569353127 /nfs/dbraw/zinc/35/31/27/569353127.db2.gz IOSBNRKKHMVNJQ-DEDYPNTBSA-N 1 1 424.501 3.006 40 10 HGCBMO CN1CCCc2cc(C[N@H+]3CCC[C@@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc21 ZINC000019708256 558970376 /nfs/dbraw/zinc/97/03/76/558970376.db2.gz QWPHDLOJVSVQCU-XMMPIXPASA-N 1 1 420.557 3.274 40 10 HGCBMO O=C([C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1)N1CCCCCC1 ZINC000019658347 558950151 /nfs/dbraw/zinc/95/01/51/558950151.db2.gz SWSOEIFJHQXBCL-FQEVSTJZSA-N 1 1 403.542 3.277 40 10 HGCBMO CCOc1cccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1O ZINC000072393258 558972827 /nfs/dbraw/zinc/97/28/27/558972827.db2.gz NWKHXKPSCFZPPY-INIZCTEOSA-N 1 1 406.486 3.316 40 10 HGCBMO CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332996 568814043 /nfs/dbraw/zinc/81/40/43/568814043.db2.gz XZPKEJZGWOVXMS-ICSRJNTNSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000257332996 568814044 /nfs/dbraw/zinc/81/40/44/568814044.db2.gz XZPKEJZGWOVXMS-ICSRJNTNSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332996 568814045 /nfs/dbraw/zinc/81/40/45/568814045.db2.gz XZPKEJZGWOVXMS-ICSRJNTNSA-N 1 1 423.561 3.267 40 10 HGCBMO CC(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019454648 560873075 /nfs/dbraw/zinc/87/30/75/560873075.db2.gz ZKUWRGLWDKLVKG-HSZRJFAPSA-N 1 1 419.577 3.227 40 10 HGCBMO O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/[C@@H]1C[C@H]2CCC[N@H+]3CCC[C@@H](C1)[C@H]23 ZINC000257173432 568775904 /nfs/dbraw/zinc/77/59/04/568775904.db2.gz NBLCIDCCOFANIS-DJWPHVQDSA-N 1 1 421.541 3.135 40 10 HGCBMO O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/[C@@H]1C[C@H]2CCC[N@@H+]3CCC[C@@H](C1)[C@H]23 ZINC000257173432 568775905 /nfs/dbraw/zinc/77/59/05/568775905.db2.gz NBLCIDCCOFANIS-DJWPHVQDSA-N 1 1 421.541 3.135 40 10 HGCBMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044910842 526683859 /nfs/dbraw/zinc/68/38/59/526683859.db2.gz OPEFAKGGHXGRFR-NRFANRHFSA-N 1 1 411.521 3.191 40 10 HGCBMO O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/C1C[C@@H]2CCC[NH+]3CCC[C@@H](C1)C23 ZINC000033821618 558771449 /nfs/dbraw/zinc/77/14/49/558771449.db2.gz NBLCIDCCOFANIS-NKDIJJBWSA-N 1 1 421.541 3.135 40 10 HGCBMO CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602641 568520110 /nfs/dbraw/zinc/52/01/10/568520110.db2.gz FZNGAKOYPSCHND-QFIPXVFZSA-N 1 1 424.564 3.106 40 10 HGCBMO CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602641 568520111 /nfs/dbraw/zinc/52/01/11/568520111.db2.gz FZNGAKOYPSCHND-QFIPXVFZSA-N 1 1 424.564 3.106 40 10 HGCBMO CCN1CCc2cc(C[N@H+]3CC[C@@](Cc4cc(C(C)C)no4)(C(=O)NC)C3)ccc21 ZINC000019739160 569348666 /nfs/dbraw/zinc/34/86/66/569348666.db2.gz ZVQNIUJVEKMQKJ-DEOSSOPVSA-N 1 1 410.562 3.361 40 10 HGCBMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 ZINC000020356364 558357371 /nfs/dbraw/zinc/35/73/71/558357371.db2.gz SGIJNRZPCWUKBV-DTQAZKPQSA-N 1 1 423.991 3.095 40 10 HGCBMO COc1cc(N2CCOCC2)c(OC)cc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019664407 569345786 /nfs/dbraw/zinc/34/57/86/569345786.db2.gz GSLRIZBNABXRCW-JOCHJYFZSA-N 1 1 411.546 3.029 40 10 HGCBMO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN21 ZINC000253399033 291233169 /nfs/dbraw/zinc/23/31/69/291233169.db2.gz IAEPEHYYYFJISK-FQEVSTJZSA-N 1 1 413.949 3.466 40 10 biogenic,in-vitro HGCBMO O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/C1C[C@H]2CCC[NH+]3CCC[C@H](C1)C23 ZINC000004619357 557573361 /nfs/dbraw/zinc/57/33/61/557573361.db2.gz NBLCIDCCOFANIS-BMTASXEKSA-N 1 1 421.541 3.135 40 10 HGCBMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O ZINC000005648307 557666386 /nfs/dbraw/zinc/66/63/86/557666386.db2.gz SDOGGPXXQRCOGV-HNNXBMFYSA-N 1 1 408.498 3.408 40 10 HGCBMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409024313 560667679 /nfs/dbraw/zinc/66/76/79/560667679.db2.gz QEVRTWXQPSVATA-YBFXNURJSA-N 1 1 420.469 3.460 40 10 HGCBMO CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332998 568814005 /nfs/dbraw/zinc/81/40/05/568814005.db2.gz XZPKEJZGWOVXMS-UYAOXDASSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000257332998 568814007 /nfs/dbraw/zinc/81/40/07/568814007.db2.gz XZPKEJZGWOVXMS-UYAOXDASSA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332998 568814009 /nfs/dbraw/zinc/81/40/09/568814009.db2.gz XZPKEJZGWOVXMS-UYAOXDASSA-N 1 1 423.561 3.267 40 10 HGCBMO CC(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019454646 560873120 /nfs/dbraw/zinc/87/31/20/560873120.db2.gz ZKUWRGLWDKLVKG-QHCPKHFHSA-N 1 1 419.577 3.227 40 10 HGCBMO Oc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425311 132801921 /nfs/dbraw/zinc/80/19/21/132801921.db2.gz YQNIQAYERYETNU-SFHVURJKSA-N 1 1 407.474 3.011 40 10 biogenic,in-vitro HGCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 ZINC000408993239 560663027 /nfs/dbraw/zinc/66/30/27/560663027.db2.gz CXUVUEYJASPKCK-UHFFFAOYSA-N 1 1 408.502 3.374 40 10 HGCBMO CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332997 568813907 /nfs/dbraw/zinc/81/39/07/568813907.db2.gz XZPKEJZGWOVXMS-QUCCMNQESA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000257332997 568813909 /nfs/dbraw/zinc/81/39/09/568813909.db2.gz XZPKEJZGWOVXMS-QUCCMNQESA-N 1 1 423.561 3.267 40 10 HGCBMO CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000257332997 568813912 /nfs/dbraw/zinc/81/39/12/568813912.db2.gz XZPKEJZGWOVXMS-QUCCMNQESA-N 1 1 423.561 3.267 40 10 HGCBMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c(C)n1-c1ccccn1 ZINC000072336839 558937444 /nfs/dbraw/zinc/93/74/44/558937444.db2.gz BLBIKTNIRZLNKA-UHFFFAOYSA-N 1 1 412.497 3.193 40 10 HGCBMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c(C)n1-c1ccccn1 ZINC000072336839 558937446 /nfs/dbraw/zinc/93/74/46/558937446.db2.gz BLBIKTNIRZLNKA-UHFFFAOYSA-N 1 1 412.497 3.193 40 10 HGCBMO CCN(CC)c1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012117812 569344676 /nfs/dbraw/zinc/34/46/76/569344676.db2.gz YFNVMPYNPPEADY-GOSISDBHSA-N 1 1 409.578 3.411 40 10 HGCBMO CCN(CC)c1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012117812 569344677 /nfs/dbraw/zinc/34/46/77/569344677.db2.gz YFNVMPYNPPEADY-GOSISDBHSA-N 1 1 409.578 3.411 40 10 HGCBMO CCN1CCc2cc(C[N@H+]3CCC[C@H](c4nc(C)c5c(n4)N(C)C(=O)CC5)C3)ccc21 ZINC000072371131 558957706 /nfs/dbraw/zinc/95/77/06/558957706.db2.gz LSKXMRUCDYVQRV-FQEVSTJZSA-N 1 1 419.573 3.456 40 10 HGCBMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000102661080 559151726 /nfs/dbraw/zinc/15/17/26/559151726.db2.gz CWVRWCQRCGLNNF-RELWKKBWSA-N 1 1 422.504 3.163 40 10 HGCBMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000012089079 132353836 /nfs/dbraw/zinc/35/38/36/132353836.db2.gz DWZXXFOJRISKDC-VXMMSVGHSA-N 1 1 411.521 3.177 40 10 HGCBMO COc1cc(N2CCOCC2)c(OC)cc1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000036751993 558802750 /nfs/dbraw/zinc/80/27/50/558802750.db2.gz GSLRIZBNABXRCW-QFIPXVFZSA-N 1 1 411.546 3.029 40 10 HGCBMO CCN1CCc2cc(C[N@H+]3CCC[C@@H](c4nc(C)c5c(n4)N(C)C(=O)CC5)C3)ccc21 ZINC000019741496 569348675 /nfs/dbraw/zinc/34/86/75/569348675.db2.gz LSKXMRUCDYVQRV-HXUWFJFHSA-N 1 1 419.573 3.456 40 10 HGCBMO COc1cccc(C[NH+]2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1O ZINC000012186944 558345993 /nfs/dbraw/zinc/34/59/93/558345993.db2.gz FJASHEMPOLAXEY-UHFFFAOYSA-N 1 1 410.923 3.232 40 10 HGCBMO CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602587 568520136 /nfs/dbraw/zinc/52/01/36/568520136.db2.gz FZNGAKOYPSCHND-JOCHJYFZSA-N 1 1 424.564 3.106 40 10 HGCBMO CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602587 568520137 /nfs/dbraw/zinc/52/01/37/568520137.db2.gz FZNGAKOYPSCHND-JOCHJYFZSA-N 1 1 424.564 3.106 40 10 HGCBMO