smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(Cc2ccccc2)CCC(NC=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)CC1 ZINC000006202649 568879239 /nfs/dbraw/zinc/87/92/39/568879239.db2.gz BPXJVDHCUFDPEY-UHFFFAOYSA-O 1 1 425.553 2.680 50 10 IFCAMO C[NH+]1CCN(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000008763447 569474411 /nfs/dbraw/zinc/47/44/11/569474411.db2.gz BVECAIIEMRAQPH-JQIJEIRASA-N 1 1 438.644 2.788 50 10 IFCAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000009468947 569538746 /nfs/dbraw/zinc/53/87/46/569538746.db2.gz SQIZNYXGIUYTBD-GOSISDBHSA-N 1 1 444.601 2.996 50 10 IFCAMO O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000002309332 132251855 /nfs/dbraw/zinc/25/18/55/132251855.db2.gz QJJDCBWPTGITFV-NBVRZTHBSA-N 1 1 438.528 2.712 50 10 IFCAMO CCCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022666240 520532038 /nfs/dbraw/zinc/53/20/38/520532038.db2.gz HGDLCLIJLCSDNA-HSZRJFAPSA-N 1 1 430.618 2.945 50 10 IFCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000012473956 524422840 /nfs/dbraw/zinc/42/28/40/524422840.db2.gz ICBICEUBDGNXDW-UHFFFAOYSA-N 1 1 429.477 2.556 50 10 IFCAMO Cc1ccc(N2C(=O)C(=CNC3CC[NH+](Cc4ccccc4)CC3)C(=O)NC2=S)cc1 ZINC000019997970 556957440 /nfs/dbraw/zinc/95/74/40/556957440.db2.gz HQOHPCKOSDZPEC-RCCKNPSSSA-N 1 1 434.565 2.881 50 10 IFCAMO COc1ccc(N2CCN(C(=O)CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)cc1 ZINC000096231312 569387495 /nfs/dbraw/zinc/38/74/95/569387495.db2.gz VSJMQCYCRJMRAC-UHFFFAOYSA-N 1 1 439.556 2.809 50 10 IFCAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)CC1 ZINC000020911524 520959861 /nfs/dbraw/zinc/95/98/61/520959861.db2.gz HNJJXONBVHGMOF-JOCHJYFZSA-N 1 1 430.593 2.903 50 10 IFCAMO COc1ccc(N2CC[NH+](CCNc3nc(-c4cccc(OC)c4OC)no3)CC2)cc1 ZINC000021630952 524425886 /nfs/dbraw/zinc/42/58/86/524425886.db2.gz RZUBRNKPKWLTRO-UHFFFAOYSA-N 1 1 439.516 2.997 50 10 IFCAMO COC(=O)CC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000299774049 556695245 /nfs/dbraw/zinc/69/52/45/556695245.db2.gz FJGHNXNPGAUDPE-NZQKXSOJSA-N 1 1 425.573 2.937 50 10 IFCAMO COC(=O)CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000299774049 556695249 /nfs/dbraw/zinc/69/52/49/556695249.db2.gz FJGHNXNPGAUDPE-NZQKXSOJSA-N 1 1 425.573 2.937 50 10 IFCAMO Cc1cc2nc3s/c(=C\c4ccc(N5CC[NH+](C)CC5)c([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000006194693 132276720 /nfs/dbraw/zinc/27/67/20/132276720.db2.gz JNESNEJXRQSNRU-BKUYFWCQSA-N 1 1 449.536 2.734 50 10 IFCAMO Nc1c(N2CC[NH+](C3CCCCC3)CC2)cc(NCCO)c2c1C(=O)c1ccccc1C2=O ZINC000009060524 132301631 /nfs/dbraw/zinc/30/16/31/132301631.db2.gz RWNKIHBHNBRJBR-UHFFFAOYSA-N 1 1 448.567 2.903 50 10 IFCAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)CC1 ZINC000020911528 520961818 /nfs/dbraw/zinc/96/18/18/520961818.db2.gz HNJJXONBVHGMOF-QFIPXVFZSA-N 1 1 430.593 2.903 50 10 IFCAMO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)Nc1ccccc1C(F)(F)F ZINC000020633794 526773135 /nfs/dbraw/zinc/77/31/35/526773135.db2.gz NWDFHIGCHMNUHH-UHFFFAOYSA-N 1 1 437.418 2.896 50 10 IFCAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)c(O)c1 ZINC000014878596 556452213 /nfs/dbraw/zinc/45/22/13/556452213.db2.gz UGTPBBYRFSPTCR-UHFFFAOYSA-N 1 1 449.555 2.640 50 10 IFCAMO CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000027530472 557263723 /nfs/dbraw/zinc/26/37/23/557263723.db2.gz BBUROKYFXIEWDB-GVMPNVMCSA-N 1 1 445.610 2.673 50 10 IFCAMO CCc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000011847447 562979629 /nfs/dbraw/zinc/97/96/29/562979629.db2.gz YGWYOVIFRLGRKC-MNDPQUGUSA-N 1 1 447.626 2.679 50 10 IFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1O ZINC000020536808 521341784 /nfs/dbraw/zinc/34/17/84/521341784.db2.gz TWDUUARSIQBDEH-FQEVSTJZSA-N 1 1 430.545 2.877 50 10 IFCAMO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000019902449 556942315 /nfs/dbraw/zinc/94/23/15/556942315.db2.gz HHDHNYDUHWIXPZ-JQIJEIRASA-N 1 1 439.628 2.568 50 10 IFCAMO CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH2+]C)c21 ZINC000085392418 568816994 /nfs/dbraw/zinc/81/69/94/568816994.db2.gz GZDSWWMZRVSGIZ-UHFFFAOYSA-N 1 1 438.528 2.674 50 10 IFCAMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000040017142 569482554 /nfs/dbraw/zinc/48/25/54/569482554.db2.gz XQTCPCATYISCEK-UHFFFAOYSA-N 1 1 437.562 2.897 50 10 IFCAMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000040017142 569482555 /nfs/dbraw/zinc/48/25/55/569482555.db2.gz XQTCPCATYISCEK-UHFFFAOYSA-N 1 1 437.562 2.897 50 10 IFCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000010053911 132334235 /nfs/dbraw/zinc/33/42/35/132334235.db2.gz RPBFNHSIENPAFI-JOCHJYFZSA-N 1 1 437.540 2.952 50 10 IFCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000010053911 132334236 /nfs/dbraw/zinc/33/42/36/132334236.db2.gz RPBFNHSIENPAFI-JOCHJYFZSA-N 1 1 437.540 2.952 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4cn5ccsc5n4)C3)CC2)cc1 ZINC000055100252 556734597 /nfs/dbraw/zinc/73/45/97/556734597.db2.gz YHTUQZYZNUCNND-GOSISDBHSA-N 1 1 425.558 2.831 50 10 IFCAMO CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000011582567 557204328 /nfs/dbraw/zinc/20/43/28/557204328.db2.gz GUFFPAVXWNEJRS-RGEXLXHISA-N 1 1 447.626 2.850 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(S(=O)(=O)c4cccc(C)c4)C3)CC2)cc1 ZINC000055071469 556733655 /nfs/dbraw/zinc/73/36/55/556733655.db2.gz ISQILJPXBFFGQV-NRFANRHFSA-N 1 1 429.586 2.979 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4cn5ccsc5n4)C3)CC2)cc1 ZINC000055100253 556734660 /nfs/dbraw/zinc/73/46/60/556734660.db2.gz YHTUQZYZNUCNND-SFHVURJKSA-N 1 1 425.558 2.831 50 10 IFCAMO COc1ccc(N2CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1 ZINC000058169748 556767621 /nfs/dbraw/zinc/76/76/21/556767621.db2.gz QCSFOUGPKKCUQC-UHFFFAOYSA-N 1 1 429.318 2.788 50 10 IFCAMO Cc1cc(-c2csc(N3CC[NH+](C)CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000025666175 568774560 /nfs/dbraw/zinc/77/45/60/568774560.db2.gz RUVYFHHTCPEQFO-UHFFFAOYSA-N 1 1 431.587 2.617 50 10 IFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4OCCO)C3)CC2)cc1 ZINC000022851168 524431607 /nfs/dbraw/zinc/43/16/07/524431607.db2.gz BRJYXYHOMWOSGY-HSZRJFAPSA-N 1 1 425.573 2.853 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4OCCO)C3)CC2)cc1 ZINC000022851168 524431617 /nfs/dbraw/zinc/43/16/17/524431617.db2.gz BRJYXYHOMWOSGY-HSZRJFAPSA-N 1 1 425.573 2.853 50 10 IFCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccccc4OCCO)C3)CC2)cc1 ZINC000022851170 524433861 /nfs/dbraw/zinc/43/38/61/524433861.db2.gz BRJYXYHOMWOSGY-QHCPKHFHSA-N 1 1 425.573 2.853 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccc4OCCO)C3)CC2)cc1 ZINC000022851170 524433868 /nfs/dbraw/zinc/43/38/68/524433868.db2.gz BRJYXYHOMWOSGY-QHCPKHFHSA-N 1 1 425.573 2.853 50 10 IFCAMO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000013400128 556504643 /nfs/dbraw/zinc/50/46/43/556504643.db2.gz HHDHNYDUHWIXPZ-PEZBUJJGSA-N 1 1 439.628 2.568 50 10 IFCAMO COc1ccc(N2CC[NH+](CCNc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000015680981 568806217 /nfs/dbraw/zinc/80/62/17/568806217.db2.gz UFOOXTNQLZVXSC-UHFFFAOYSA-N 1 1 439.516 2.997 50 10 IFCAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000009468945 569538757 /nfs/dbraw/zinc/53/87/57/569538757.db2.gz SQIZNYXGIUYTBD-SFHVURJKSA-N 1 1 444.601 2.996 50 10 IFCAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 ZINC000009731020 569564495 /nfs/dbraw/zinc/56/44/95/569564495.db2.gz OSVXXEDZSGDMJU-UHFFFAOYSA-N 1 1 440.935 2.828 50 10 IFCAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 ZINC000009731020 569564496 /nfs/dbraw/zinc/56/44/96/569564496.db2.gz OSVXXEDZSGDMJU-UHFFFAOYSA-N 1 1 440.935 2.828 50 10 IFCAMO COc1cccc(C[NH+]2CCN(Cc3nc(C(=O)NC4CCCCC4)co3)CC2)c1O ZINC000034678131 555796524 /nfs/dbraw/zinc/79/65/24/555796524.db2.gz GIRMRFJVNJIFFI-UHFFFAOYSA-N 1 1 428.533 2.769 50 10 IFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1O ZINC000039531091 556629600 /nfs/dbraw/zinc/62/96/00/556629600.db2.gz TWDUUARSIQBDEH-HXUWFJFHSA-N 1 1 430.545 2.877 50 10 IFCAMO Cc1cccc(N2C(=O)C(=CNC3CC[NH+](Cc4ccccc4)CC3)C(=O)NC2=S)c1 ZINC000019949510 556954466 /nfs/dbraw/zinc/95/44/66/556954466.db2.gz KDIRVQGKGFKULS-RCCKNPSSSA-N 1 1 434.565 2.881 50 10 IFCAMO CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CC[NH+](C)CC3)C2=O)cc1 ZINC000001817193 568915537 /nfs/dbraw/zinc/91/55/37/568915537.db2.gz LKGXUFJUQCKSOD-OBGWFSINSA-N 1 1 432.615 2.509 50 10 IFCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)ccc2O)N3)C1 ZINC000002234274 569211326 /nfs/dbraw/zinc/21/13/26/569211326.db2.gz MMGBCZKOKDLEAA-CQSZACIVSA-N 1 1 441.294 2.900 50 10 IFCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)ccc2O)N3)C1 ZINC000002234274 569211325 /nfs/dbraw/zinc/21/13/25/569211325.db2.gz MMGBCZKOKDLEAA-CQSZACIVSA-N 1 1 441.294 2.900 50 10 IFCAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1O ZINC000011788336 556354588 /nfs/dbraw/zinc/35/45/88/556354588.db2.gz ADTSMZIKICHRCS-QGZVFWFLSA-N 1 1 435.528 2.850 50 10 IFCAMO O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000100759173 556667815 /nfs/dbraw/zinc/66/78/15/556667815.db2.gz LJKPZQOANANELL-XSFVSMFZSA-N 1 1 438.528 2.712 50 10 IFCAMO COc1ccc(N2CCN(c3nc(C(=O)N4CC[NH+](C(C)C)CC4)cs3)CC2)cc1 ZINC000065211537 569116529 /nfs/dbraw/zinc/11/65/29/569116529.db2.gz PKMJKEFSBYCOIA-UHFFFAOYSA-N 1 1 429.590 2.645 50 10 IFCAMO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCN(CC(=O)NCCCOC)CC2)cc1 ZINC000022791359 521373060 /nfs/dbraw/zinc/37/30/60/521373060.db2.gz JNRKHIGTELRFOM-UHFFFAOYSA-N 1 1 438.616 2.983 50 10 IFCAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1O ZINC000012158898 523914598 /nfs/dbraw/zinc/91/45/98/523914598.db2.gz OLKUXYKSXKSESJ-APWZRJJASA-N 1 1 426.542 2.766 50 10 IFCAMO CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CC[NH+](C)CC3)C2=O)cc1 ZINC000013122169 556474462 /nfs/dbraw/zinc/47/44/62/556474462.db2.gz LKGXUFJUQCKSOD-SDXDJHTJSA-N 1 1 432.615 2.509 50 10 IFCAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@@H]2CCO)o1 ZINC000023372948 568613334 /nfs/dbraw/zinc/61/33/34/568613334.db2.gz HLLNPMTZGNNLHR-NRFANRHFSA-N 1 1 427.545 2.854 50 10 IFCAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]2CCO)o1 ZINC000104643615 568837140 /nfs/dbraw/zinc/83/71/40/568837140.db2.gz HLLNPMTZGNNLHR-OAQYLSRUSA-N 1 1 427.545 2.854 50 10 IFCAMO CCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022666246 520531720 /nfs/dbraw/zinc/53/17/20/520531720.db2.gz HGDLCLIJLCSDNA-QHCPKHFHSA-N 1 1 430.618 2.945 50 10 IFCAMO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000009382949 536697183 /nfs/dbraw/zinc/69/71/83/536697183.db2.gz POJALPLVTTTWML-UHFFFAOYSA-N 1 1 434.540 2.996 50 10 IFCAMO CCc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000015746338 556548147 /nfs/dbraw/zinc/54/81/47/556548147.db2.gz YGWYOVIFRLGRKC-KNTRCKAVSA-N 1 1 447.626 2.679 50 10 IFCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(S(=O)(=O)c4cccc(C)c4)C3)CC2)cc1 ZINC000055071472 556733592 /nfs/dbraw/zinc/73/35/92/556733592.db2.gz ISQILJPXBFFGQV-OAQYLSRUSA-N 1 1 429.586 2.979 50 10 IFCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000010053913 132334293 /nfs/dbraw/zinc/33/42/93/132334293.db2.gz RPBFNHSIENPAFI-QFIPXVFZSA-N 1 1 437.540 2.952 50 10 IFCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000010053913 132334295 /nfs/dbraw/zinc/33/42/95/132334295.db2.gz RPBFNHSIENPAFI-QFIPXVFZSA-N 1 1 437.540 2.952 50 10 IFCAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2)c1ccoc1 ZINC000020448643 526465237 /nfs/dbraw/zinc/46/52/37/526465237.db2.gz ZBVAFYDXSGPXES-UHFFFAOYSA-N 1 1 434.544 2.502 50 10 IFCAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1O ZINC000011788337 556354425 /nfs/dbraw/zinc/35/44/25/556354425.db2.gz ADTSMZIKICHRCS-KRWDZBQOSA-N 1 1 435.528 2.850 50 10 IFCAMO Cc1ccccc1N1C(=O)C(=CNC2CC[NH+](Cc3ccccc3)CC2)C(=O)NC1=S ZINC000019996752 556957197 /nfs/dbraw/zinc/95/71/97/556957197.db2.gz HCGCEXDCZPJIKQ-HMMYKYKNSA-N 1 1 434.565 2.881 50 10 IFCAMO Cc1cc2nc3s/c(=C/c4ccc(N5CC[NH+](C)CC5)c([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000027500061 569216504 /nfs/dbraw/zinc/21/65/04/569216504.db2.gz JNESNEJXRQSNRU-FYJGNVAPSA-N 1 1 449.536 2.734 50 10 IFCAMO COc1ccc(N2CC[NH+](CCNc3nc(-c4cc(OC)ccc4OC)no3)CC2)cc1 ZINC000020930321 524427008 /nfs/dbraw/zinc/42/70/08/524427008.db2.gz NHNCBQVHKHYQSW-UHFFFAOYSA-N 1 1 439.516 2.997 50 10 IFCAMO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000299786262 556695479 /nfs/dbraw/zinc/69/54/79/556695479.db2.gz NDOZJPDXNJDRKV-SNAWJCMRSA-N 1 1 448.546 2.985 50 10 IFCAMO CCC[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(OC)cc4)CC3)n2)CC1 ZINC000065211548 569116540 /nfs/dbraw/zinc/11/65/40/569116540.db2.gz VAOZMWJCLFRAAL-UHFFFAOYSA-N 1 1 429.590 2.646 50 10 IFCAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000012595617 520965242 /nfs/dbraw/zinc/96/52/42/520965242.db2.gz PYVCZVSNMYWOIH-UHFFFAOYSA-N 1 1 441.576 2.641 50 10 IFCAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000012595617 520965249 /nfs/dbraw/zinc/96/52/49/520965249.db2.gz PYVCZVSNMYWOIH-UHFFFAOYSA-N 1 1 441.576 2.641 50 10 IFCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)ccc2O)N3)C1 ZINC000002234276 569211273 /nfs/dbraw/zinc/21/12/73/569211273.db2.gz MMGBCZKOKDLEAA-AWEZNQCLSA-N 1 1 441.294 2.900 50 10 IFCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)ccc2O)N3)C1 ZINC000002234276 569211274 /nfs/dbraw/zinc/21/12/74/569211274.db2.gz MMGBCZKOKDLEAA-AWEZNQCLSA-N 1 1 441.294 2.900 50 10 IFCAMO CCOC(=O)c1ccc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000058021509 569445393 /nfs/dbraw/zinc/44/53/93/569445393.db2.gz RMWQAIXJQCAPPK-UHFFFAOYSA-N 1 1 426.517 2.816 50 10 IFCAMO