smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009135741 194562628 /nfs/dbraw/zinc/56/26/28/194562628.db2.gz CCKQGUNHCRLSNC-HSZRJFAPSA-N 1 0 450.583 3.360 50 10 JGCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009135739 194562714 /nfs/dbraw/zinc/56/27/14/194562714.db2.gz CCKQGUNHCRLSNC-QHCPKHFHSA-N 1 0 450.583 3.360 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734727 523918823 /nfs/dbraw/zinc/91/88/23/523918823.db2.gz GUANROYXWQRPOQ-DEOSSOPVSA-N 1 0 457.018 3.206 50 10 JGCARO CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002273132 554127839 /nfs/dbraw/zinc/12/78/39/554127839.db2.gz ITUXBLXIVPAVIP-IYWFSZBXSA-N 1 0 471.652 3.145 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC ZINC000008799009 554686675 /nfs/dbraw/zinc/68/66/75/554686675.db2.gz GDQUWAJNZBDLHI-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000008799131 554686737 /nfs/dbraw/zinc/68/67/37/554686737.db2.gz OUVWBDAITPMPPB-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000014532335 555819993 /nfs/dbraw/zinc/81/99/93/555819993.db2.gz NZHKLJDZJVIZES-UHFFFAOYSA-N 1 0 487.000 3.319 50 10 JGCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022666159 555941796 /nfs/dbraw/zinc/94/17/96/555941796.db2.gz XVBCMKWZRCWJMM-VWLOTQADSA-N 1 0 452.624 3.173 50 10 JGCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007911 556199117 /nfs/dbraw/zinc/19/91/17/556199117.db2.gz YTCCMRQKYHSDAL-QHCPKHFHSA-N 1 0 450.583 3.278 50 10 JGCARO COCCN(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000034740626 569655543 /nfs/dbraw/zinc/65/55/43/569655543.db2.gz WMUJUZOPCDMJGR-RCZVLFRGSA-N 1 0 469.626 3.098 50 10 JGCARO COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000104922416 569847595 /nfs/dbraw/zinc/84/75/95/569847595.db2.gz PVFKBUBNVOVWTJ-XNMGPUDCSA-N 1 0 478.637 3.173 50 10 JGCARO CN1CCc2cc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@H](CO)C5)cc4)CC3)ccc21 ZINC000299766594 570175282 /nfs/dbraw/zinc/17/52/82/570175282.db2.gz DFMGZGDYSGXNMF-QFIPXVFZSA-N 1 0 462.638 3.282 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Br)N3CC[NH+](C)CC3)ccc21 ZINC000022733763 523998475 /nfs/dbraw/zinc/99/84/75/523998475.db2.gz AEQBJQMABLVCDK-JOCHJYFZSA-N 1 0 457.416 3.160 50 10 JGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3cccc4ccccc43)N3CC[NH+](C)CC3)ccc21 ZINC000022735882 523999306 /nfs/dbraw/zinc/99/93/06/523999306.db2.gz XHMMALANHTVKBZ-VWLOTQADSA-N 1 0 464.635 3.099 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000033071804 524424132 /nfs/dbraw/zinc/42/41/32/524424132.db2.gz JEHGVFGTBAKAPT-OAQYLSRUSA-N 1 0 476.625 3.116 50 10 JGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1Cl ZINC000022735297 525003251 /nfs/dbraw/zinc/00/32/51/525003251.db2.gz INCDUYDNENYONW-DEOSSOPVSA-N 1 0 484.044 3.074 50 10 JGCARO Cc1ccc2nc(NCCC[NH+](C)C)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 ZINC000002712988 554298412 /nfs/dbraw/zinc/29/84/12/554298412.db2.gz MAEBOXLCGMHPQA-PDGQHHTCSA-N 1 0 483.619 3.361 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC ZINC000008801560 554686953 /nfs/dbraw/zinc/68/69/53/554686953.db2.gz KJIHZCRVWCEARQ-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000008801552 554686978 /nfs/dbraw/zinc/68/69/78/554686978.db2.gz FJQQSJQUHXCLOT-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135531 554932123 /nfs/dbraw/zinc/93/21/23/554932123.db2.gz GERIFPFTHXEAIV-DEOSSOPVSA-N 1 0 450.583 3.360 50 10 JGCARO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009138363 554933590 /nfs/dbraw/zinc/93/35/90/554933590.db2.gz UYEUROBRPARCKB-XMMPIXPASA-N 1 0 450.583 3.360 50 10 JGCARO Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000019958653 555572377 /nfs/dbraw/zinc/57/23/77/555572377.db2.gz QSEUIJMQUGZEAD-HKWRFOASSA-N 1 0 491.642 3.156 50 10 JGCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O ZINC000015067896 555868033 /nfs/dbraw/zinc/86/80/33/555868033.db2.gz ADROICAFJKINQH-OAQYLSRUSA-N 1 0 478.597 3.353 50 10 JGCARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)[N@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000012165352 555932816 /nfs/dbraw/zinc/93/28/16/555932816.db2.gz UAZODTRSVAHZHM-RTWAWAEBSA-N 1 0 458.580 3.003 50 10 JGCARO COc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C2CC[NH2+]CC2)cc1 ZINC000015726965 555966243 /nfs/dbraw/zinc/96/62/43/555966243.db2.gz PRIRLYLWIVKBGP-UHFFFAOYSA-N 1 0 475.593 3.319 50 10 JGCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007923 556199426 /nfs/dbraw/zinc/19/94/26/556199426.db2.gz QWZHBXHNLISUAY-DEOSSOPVSA-N 1 0 450.583 3.360 50 10 JGCARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000060021083 569608377 /nfs/dbraw/zinc/60/83/77/569608377.db2.gz NTMUAHCGKHQVRK-UHFFFAOYSA-N 1 0 468.623 3.220 50 10 JGCARO Cc1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 ZINC000033330178 569624241 /nfs/dbraw/zinc/62/42/41/569624241.db2.gz JYCRCEHTVNFVRL-XSFVSMFZSA-N 1 0 491.642 3.156 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)CC3CCN(C(=O)NC4CCCCC4)CC3)CC2)cc1 ZINC000064847048 569638863 /nfs/dbraw/zinc/63/88/63/569638863.db2.gz SSDHTYWPAONVPR-UHFFFAOYSA-N 1 0 499.700 3.468 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000102824234 569824110 /nfs/dbraw/zinc/82/41/10/569824110.db2.gz RBUTVGHGROIMNO-XMHGGMMESA-N 1 0 485.679 3.392 50 10 JGCARO CCNc1nc2nnc(SCC(=O)Nc3cccc(C[NH+]4CCCCC4)c3)n2c(NCC)n1 ZINC000059591122 195410492 /nfs/dbraw/zinc/41/04/92/195410492.db2.gz JFMRWKXBYSUJQO-UHFFFAOYSA-N 1 0 469.619 3.100 50 10 JGCARO CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)SC1=S ZINC000033340285 521515353 /nfs/dbraw/zinc/51/53/53/521515353.db2.gz HDEOGWDCSDCESU-CAPFRKAQSA-N 1 0 491.642 3.238 50 10 JGCARO CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033423639 522106265 /nfs/dbraw/zinc/10/62/65/522106265.db2.gz MBLIZSYWPRKVMV-APVMCDBPSA-N 1 0 471.652 3.145 50 10 JGCARO CCn1nc(C)c2ccnc(N3CCC(C(=O)NCc4ccc(N5CC[NH+](C)CC5)cc4)CC3)c21 ZINC000033173194 523673049 /nfs/dbraw/zinc/67/30/49/523673049.db2.gz UFMVQAGUCBEBSL-UHFFFAOYSA-N 1 0 475.641 3.044 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21 ZINC000022734794 523918875 /nfs/dbraw/zinc/91/88/75/523918875.db2.gz HWVNKENQKBGHTI-IBGZPJMESA-N 1 0 461.404 3.143 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccn4c(c3)nnc4-c3ccc(F)cc3)CC2)cc1 ZINC000065296312 524424055 /nfs/dbraw/zinc/42/40/55/524424055.db2.gz OHOVIZDBZXCBDR-UHFFFAOYSA-N 1 0 488.567 3.486 50 10 JGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1Cl ZINC000022735300 525007105 /nfs/dbraw/zinc/00/71/05/525007105.db2.gz INCDUYDNENYONW-XMMPIXPASA-N 1 0 484.044 3.074 50 10 JGCARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c2ccccc2n1 ZINC000008964146 525108639 /nfs/dbraw/zinc/10/86/39/525108639.db2.gz HOKXSDUDFWKSNF-RUZDIDTESA-N 1 0 457.578 3.427 50 10 JGCARO NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000014987527 526993876 /nfs/dbraw/zinc/99/38/76/526993876.db2.gz SQGIZZIRNDPVJA-VWLOTQADSA-N 1 0 496.608 3.282 50 10 JGCARO CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002359157 554165064 /nfs/dbraw/zinc/16/50/64/554165064.db2.gz MBLIZSYWPRKVMV-OKSBFYSISA-N 1 0 471.652 3.145 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000008834824 554732973 /nfs/dbraw/zinc/73/29/73/554732973.db2.gz NOZRCQBUHVLWHS-CYVLTUHYSA-N 1 0 483.663 3.289 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4nc(N5CCOCC5)sc4c3)CC2)cc1 ZINC000008912748 554803500 /nfs/dbraw/zinc/80/35/00/554803500.db2.gz ZIAKCGUJOINKES-UHFFFAOYSA-N 1 0 495.649 3.084 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000009135497 554932060 /nfs/dbraw/zinc/93/20/60/554932060.db2.gz FTLZGOHMMFIRSM-QHCPKHFHSA-N 1 0 455.002 3.292 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009138058 554933032 /nfs/dbraw/zinc/93/30/32/554933032.db2.gz LONVSVJPCLGHSG-XMMPIXPASA-N 1 0 450.583 3.360 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000009138141 554933436 /nfs/dbraw/zinc/93/34/36/554933436.db2.gz KBTANDNRSWGDTE-JOCHJYFZSA-N 1 0 464.566 3.080 50 10 JGCARO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000009138416 554933602 /nfs/dbraw/zinc/93/36/02/554933602.db2.gz PGIKYEAHDMCDGZ-XMMPIXPASA-N 1 0 464.610 3.037 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000009380127 555142167 /nfs/dbraw/zinc/14/21/67/555142167.db2.gz RUPISZZYYKGEMC-UYRXBGFRSA-N 1 0 495.630 3.139 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4cccc(Cl)c4)o3)CC2)cc1 ZINC000009561234 555358836 /nfs/dbraw/zinc/35/88/36/555358836.db2.gz FLKBSIKULCGMDR-UHFFFAOYSA-N 1 0 469.973 3.265 50 10 JGCARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc5c(c4)CCCN5C)CC3)O2)n(C)n1 ZINC000011785354 555817753 /nfs/dbraw/zinc/81/77/53/555817753.db2.gz LRWQDAYGNUXLRD-JOCHJYFZSA-N 1 0 451.615 3.055 50 10 JGCARO CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1OCC ZINC000023080542 556006833 /nfs/dbraw/zinc/00/68/33/556006833.db2.gz ZXRGFBJFJXAQRE-HSZRJFAPSA-N 1 0 454.615 3.269 50 10 JGCARO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000023130218 556019255 /nfs/dbraw/zinc/01/92/55/556019255.db2.gz OBHNBKVRJXQDFY-UHFFFAOYSA-N 1 0 481.618 3.442 50 10 JGCARO Cc1cc(C[NH2+]CCc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013138041 556369690 /nfs/dbraw/zinc/36/96/90/556369690.db2.gz PNOZXSOHMPZUQA-UHFFFAOYSA-N 1 0 453.608 3.447 50 10 JGCARO COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[N@@H+]4CCc5ccccc5C4)c3[O-])CC2)cc1 ZINC000101374184 569795066 /nfs/dbraw/zinc/79/50/66/569795066.db2.gz GEWFHTRHKLCFSJ-UHFFFAOYSA-N 1 0 461.562 3.235 50 10 JGCARO COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000169679416 569869699 /nfs/dbraw/zinc/86/96/99/569869699.db2.gz PVFKBUBNVOVWTJ-VPUSJEBWSA-N 1 0 478.637 3.173 50 10 JGCARO CC[C@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000239229133 570049524 /nfs/dbraw/zinc/04/95/24/570049524.db2.gz USZYSDMBJDPRIF-MANIMZPCSA-N 1 0 811.878 3.158 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1 ZINC000001296169 194082038 /nfs/dbraw/zinc/08/20/38/194082038.db2.gz VTNACYNVJADIQP-AQTBWJFISA-N 1 0 471.652 3.002 50 10 JGCARO COc1ccc(N2CCN([C@@H]3c4ccccc4C[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000058164937 195369662 /nfs/dbraw/zinc/36/96/62/195369662.db2.gz NJPTYNRWKJYJIF-IZZNHLLZSA-N 1 0 463.603 3.462 50 10 JGCARO COC(=O)c1c(OC2Cc3ccccc3C2)cc(=O)n2c1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000014990614 521775084 /nfs/dbraw/zinc/77/50/84/521775084.db2.gz XNHBURVZRPWXGJ-UHFFFAOYSA-N 1 0 487.600 3.305 50 10 JGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3cccc4ccccc43)N3CC[NH+](C)CC3)ccc21 ZINC000022735885 523998391 /nfs/dbraw/zinc/99/83/91/523998391.db2.gz XHMMALANHTVKBZ-RUZDIDTESA-N 1 0 464.635 3.099 50 10 JGCARO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964181 524220832 /nfs/dbraw/zinc/22/08/32/524220832.db2.gz PXZPTWDGJWQZJU-OAQYLSRUSA-N 1 0 456.974 3.233 50 10 JGCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735250 525760991 /nfs/dbraw/zinc/76/09/91/525760991.db2.gz WECRMHDYFPTFCB-XMMPIXPASA-N 1 0 484.044 3.074 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000008858004 554754525 /nfs/dbraw/zinc/75/45/25/554754525.db2.gz RBUTVGHGROIMNO-RGEXLXHISA-N 1 0 485.679 3.392 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+]3CCCC3)ccc21 ZINC000008964120 554838278 /nfs/dbraw/zinc/83/82/78/554838278.db2.gz ZSUOLJZARAALNN-NRFANRHFSA-N 1 0 476.499 3.469 50 10 JGCARO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964182 554838283 /nfs/dbraw/zinc/83/82/83/554838283.db2.gz PXZPTWDGJWQZJU-NRFANRHFSA-N 1 0 456.974 3.233 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)cc1 ZINC000009561312 555359118 /nfs/dbraw/zinc/35/91/18/555359118.db2.gz ALKQZLIVOXMUCV-UHFFFAOYSA-N 1 0 487.963 3.404 50 10 JGCARO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011913053 555862403 /nfs/dbraw/zinc/86/24/03/555862403.db2.gz ODIZPXAPFWCNNR-NRFANRHFSA-N 1 0 474.609 3.193 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21 ZINC000023858000 556093168 /nfs/dbraw/zinc/09/31/68/556093168.db2.gz OBUAYVKJQSCBJT-QHCPKHFHSA-N 1 0 455.002 3.292 50 10 JGCARO CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC ZINC000034921763 569672675 /nfs/dbraw/zinc/67/26/75/569672675.db2.gz JTUSLJQWSLTTFJ-UHFFFAOYSA-N 1 0 456.653 3.135 50 10 JGCARO COc1ccc(N2CC[NH+](C[C@@H](O)COCCOc3ccc(Br)cc3)CC2)cc1 ZINC000084457720 569709099 /nfs/dbraw/zinc/70/90/99/569709099.db2.gz NJMDKZBARPNHDH-HXUWFJFHSA-N 1 0 465.388 3.036 50 10 JGCARO CC(NCCCN1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100552729 569764275 /nfs/dbraw/zinc/76/42/75/569764275.db2.gz YRYACSYHFANNIB-DTQAZKPQSA-N 1 0 453.490 3.147 50 10 JGCARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000169678940 569869373 /nfs/dbraw/zinc/86/93/73/569869373.db2.gz QBERELCPNQIVAO-WIOPSUGQSA-N 1 0 457.590 3.229 50 10 JGCARO COCCN(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000169679890 569869943 /nfs/dbraw/zinc/86/99/43/569869943.db2.gz WMUJUZOPCDMJGR-RDGATRHJSA-N 1 0 469.626 3.098 50 10 JGCARO CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002318151 194159737 /nfs/dbraw/zinc/15/97/37/194159737.db2.gz NDCLEHIJMRNJCP-VLGSPTGOSA-N 1 0 471.652 3.228 50 10 JGCARO CCC[NH+]1CCN(c2nnc(-n3cccc3CN3CCN(c4ccc(OC)cc4)CC3)s2)CC1 ZINC000021880817 519860926 /nfs/dbraw/zinc/86/09/26/519860926.db2.gz DFYKYZLIIFVRPU-UHFFFAOYSA-N 1 0 481.670 3.192 50 10 JGCARO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000033131134 521599959 /nfs/dbraw/zinc/59/99/59/521599959.db2.gz FJGASOGAGGDZLJ-UHFFFAOYSA-N 1 0 492.576 3.469 50 10 JGCARO COC(=O)C1=CN(C2CC2)c2cc(N3CCC([NH+]4CCCCC4)CC3)c(F)cc2S1(=O)=O ZINC000033140730 522897747 /nfs/dbraw/zinc/89/77/47/522897747.db2.gz JSTPBQSWNNTBNV-UHFFFAOYSA-N 1 0 463.575 3.051 50 10 JGCARO COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000014983832 523120327 /nfs/dbraw/zinc/12/03/27/523120327.db2.gz YSQJGQBXQBSHDE-XUZZJYLKSA-N 1 0 497.636 3.375 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734730 523920316 /nfs/dbraw/zinc/92/03/16/523920316.db2.gz GUANROYXWQRPOQ-XMMPIXPASA-N 1 0 457.018 3.206 50 10 JGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4ccccc4c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735805 523999620 /nfs/dbraw/zinc/99/96/20/523999620.db2.gz DWMNIBMAJNDNKB-SANMLTNESA-N 1 0 464.635 3.099 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000033071808 524423181 /nfs/dbraw/zinc/42/31/81/524423181.db2.gz JEHGVFGTBAKAPT-NRFANRHFSA-N 1 0 476.625 3.116 50 10 JGCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735312 524738785 /nfs/dbraw/zinc/73/87/85/524738785.db2.gz KKHQSDKVEDQISA-XMMPIXPASA-N 1 0 484.044 3.074 50 10 JGCARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012282321 524745344 /nfs/dbraw/zinc/74/53/44/524745344.db2.gz TZSNTQDIIMGVQU-LJQANCHMSA-N 1 0 453.543 3.161 50 10 JGCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1 ZINC000008834741 554732909 /nfs/dbraw/zinc/73/29/09/554732909.db2.gz AOSHVNYNQBQZKC-MNDPQUGUSA-N 1 0 483.663 3.370 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000009135735 554932407 /nfs/dbraw/zinc/93/24/07/554932407.db2.gz BGIPPCHFBHQJEX-QHCPKHFHSA-N 1 0 455.002 3.292 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1OC ZINC000009138395 554933682 /nfs/dbraw/zinc/93/36/82/554933682.db2.gz OIHVPAJDEKOLSU-HSZRJFAPSA-N 1 0 480.609 3.368 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000009379763 555141579 /nfs/dbraw/zinc/14/15/79/555141579.db2.gz FMFBSUSNGDBFIP-CYVLTUHYSA-N 1 0 485.679 3.392 50 10 JGCARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3O)CC2)CC1 ZINC000009849638 555551766 /nfs/dbraw/zinc/55/17/66/555551766.db2.gz QNOSBOBEKYUHCS-UHFFFAOYSA-N 1 0 453.583 3.360 50 10 JGCARO Cc1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 ZINC000019994517 555576654 /nfs/dbraw/zinc/57/66/54/555576654.db2.gz JYCRCEHTVNFVRL-ZHZULCJRSA-N 1 0 491.642 3.156 50 10 JGCARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc5c(c4)CCCN5C)CC3)O2)n(C)n1 ZINC000011785353 555817729 /nfs/dbraw/zinc/81/77/29/555817729.db2.gz LRWQDAYGNUXLRD-QFIPXVFZSA-N 1 0 451.615 3.055 50 10 JGCARO O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1Cl ZINC000062588324 569612207 /nfs/dbraw/zinc/61/22/07/569612207.db2.gz STWHHNATKLIHAT-UHFFFAOYSA-N 1 0 491.057 3.244 50 10 JGCARO CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033879228 569636893 /nfs/dbraw/zinc/63/68/93/569636893.db2.gz ITUXBLXIVPAVIP-KXGFGANYSA-N 1 0 471.652 3.145 50 10 JGCARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000034740627 569655576 /nfs/dbraw/zinc/65/55/76/569655576.db2.gz WMUJUZOPCDMJGR-WIOPSUGQSA-N 1 0 469.626 3.098 50 10 JGCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1 ZINC000034782843 569659248 /nfs/dbraw/zinc/65/92/48/569659248.db2.gz YDEAPELGXKDFRI-CAPFRKAQSA-N 1 0 491.642 3.238 50 10 JGCARO O=C(c1coc2ccc(O)c(CN3CCCN(S(=O)(=O)N4CCCC4)CC3)c12)c1ccccc1 ZINC000252505164 570082444 /nfs/dbraw/zinc/08/24/44/570082444.db2.gz VQEXUNQTYGZWMT-UHFFFAOYSA-N 1 0 483.590 3.218 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)CCN3N=C(c4ccc(C)cc4)CCC3=O)CC2)cc1 ZINC000020726317 195207936 /nfs/dbraw/zinc/20/79/36/195207936.db2.gz JUICNDYOVGGYFK-UHFFFAOYSA-N 1 0 491.636 3.049 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000033703954 521700589 /nfs/dbraw/zinc/70/05/89/521700589.db2.gz NOZRCQBUHVLWHS-XDJHFCHBSA-N 1 0 483.663 3.289 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3Br)N3CC[NH+](C)CC3)ccc21 ZINC000022733760 523999571 /nfs/dbraw/zinc/99/95/71/523999571.db2.gz AEQBJQMABLVCDK-QFIPXVFZSA-N 1 0 457.416 3.160 50 10 JGCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000008801549 554686941 /nfs/dbraw/zinc/68/69/41/554686941.db2.gz OAVJOPKECKZLMU-XMMPIXPASA-N 1 0 456.612 3.143 50 10 JGCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135534 554932111 /nfs/dbraw/zinc/93/21/11/554932111.db2.gz GERIFPFTHXEAIV-XMMPIXPASA-N 1 0 450.583 3.360 50 10 JGCARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009138207 554933372 /nfs/dbraw/zinc/93/33/72/554933372.db2.gz MNURWUGIYKHUNE-RUZDIDTESA-N 1 0 464.610 3.037 50 10 JGCARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009165371 554951073 /nfs/dbraw/zinc/95/10/73/554951073.db2.gz JKGHFDLMGIXGIY-VWLOTQADSA-N 1 0 477.609 3.309 50 10 JGCARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000014534103 555822632 /nfs/dbraw/zinc/82/26/32/555822632.db2.gz OLUXAPVMGCYVAL-UHFFFAOYSA-N 1 0 452.555 3.047 50 10 JGCARO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccc2O)CC3)o1 ZINC000012211481 555943069 /nfs/dbraw/zinc/94/30/69/555943069.db2.gz OTROSWWOSMWTOF-HXUWFJFHSA-N 1 0 467.570 3.299 50 10 JGCARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000013008058 556199520 /nfs/dbraw/zinc/19/95/20/556199520.db2.gz IFXUVGZCLSIBAO-SANMLTNESA-N 1 0 471.605 3.239 50 10 JGCARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013008106 556199882 /nfs/dbraw/zinc/19/98/82/556199882.db2.gz RKCGXWWCMTXFCX-HSZRJFAPSA-N 1 0 450.583 3.360 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000025580977 556225286 /nfs/dbraw/zinc/22/52/86/556225286.db2.gz WTRLAOBGJNANTF-XMHGGMMESA-N 1 0 495.630 3.139 50 10 JGCARO COc1ccc(N2CCN(c3nnc(C(=O)NCC[NH+]4CCCCC4)c4ccccc43)CC2)cc1 ZINC000034838513 569666612 /nfs/dbraw/zinc/66/66/12/569666612.db2.gz CLUBTNVJHHBNHA-UHFFFAOYSA-N 1 0 474.609 3.181 50 10 JGCARO COc1ccc(N2CC[NH+](C[C@H](O)COCCOc3ccc(Br)cc3)CC2)cc1 ZINC000084457719 569709095 /nfs/dbraw/zinc/70/90/95/569709095.db2.gz NJMDKZBARPNHDH-FQEVSTJZSA-N 1 0 465.388 3.036 50 10 JGCARO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4cccs4)CC3)CC2)c1O ZINC000299770401 570175596 /nfs/dbraw/zinc/17/55/96/570175596.db2.gz SXTZQEMYCNARLA-NRFANRHFSA-N 1 0 455.624 3.409 50 10 JGCARO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4cccs4)CC3)CC2)c1O ZINC000299770404 570175609 /nfs/dbraw/zinc/17/56/09/570175609.db2.gz SXTZQEMYCNARLA-OAQYLSRUSA-N 1 0 455.624 3.409 50 10 JGCARO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009868923 195005218 /nfs/dbraw/zinc/00/52/18/195005218.db2.gz HYXJASYNGSSQAC-LJQANCHMSA-N 1 0 458.628 3.386 50 10 JGCARO COc1ccc(N2CCN([C@H]3c4ccccc4C[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000058164938 195369705 /nfs/dbraw/zinc/36/97/05/195369705.db2.gz NJPTYNRWKJYJIF-UIOOFZCWSA-N 1 0 463.603 3.462 50 10 JGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735808 523998511 /nfs/dbraw/zinc/99/85/11/523998511.db2.gz DWMNIBMAJNDNKB-AREMUKBSSA-N 1 0 464.635 3.099 50 10 JGCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735259 524278929 /nfs/dbraw/zinc/27/89/29/524278929.db2.gz QWDXWJBNVZVJMD-VWLOTQADSA-N 1 0 477.653 3.038 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000008813989 554696251 /nfs/dbraw/zinc/69/62/51/554696251.db2.gz NHDWGGNATYJCTL-GOSISDBHSA-N 1 0 488.991 3.169 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1OC ZINC000009138398 554933655 /nfs/dbraw/zinc/93/36/55/554933655.db2.gz OIHVPAJDEKOLSU-QHCPKHFHSA-N 1 0 480.609 3.368 50 10 JGCARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009165377 554951005 /nfs/dbraw/zinc/95/10/05/554951005.db2.gz JKGHFDLMGIXGIY-RUZDIDTESA-N 1 0 477.609 3.309 50 10 JGCARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009165356 554951041 /nfs/dbraw/zinc/95/10/41/554951041.db2.gz RGSITOLLFFTQGC-VWLOTQADSA-N 1 0 477.609 3.309 50 10 JGCARO CC[NH+](CC)CCNC=C1C(=O)N(c2ccccc2OC)C(=S)N(c2ccccc2OC)C1=O ZINC000020024500 555602299 /nfs/dbraw/zinc/60/22/99/555602299.db2.gz CYPQTRCVTRXCPH-UHFFFAOYSA-N 1 0 482.606 3.184 50 10 JGCARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000013008057 556199525 /nfs/dbraw/zinc/19/95/25/556199525.db2.gz IFXUVGZCLSIBAO-AREMUKBSSA-N 1 0 471.605 3.239 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCCC3)ccc21 ZINC000013008098 556199812 /nfs/dbraw/zinc/19/98/12/556199812.db2.gz RIVULWZRQOSSMU-QHCPKHFHSA-N 1 0 455.002 3.292 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCCC3)ccc21 ZINC000013008095 556199901 /nfs/dbraw/zinc/19/99/01/556199901.db2.gz RIVULWZRQOSSMU-HSZRJFAPSA-N 1 0 455.002 3.292 50 10 JGCARO CCn1c2c(C(=O)NCc3ccc(N(C)C)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835985 569636790 /nfs/dbraw/zinc/63/67/90/569636790.db2.gz GWQRKVKEDVBBSW-UHFFFAOYSA-N 1 0 484.604 3.070 50 10 JGCARO CC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000034730164 569653374 /nfs/dbraw/zinc/65/33/74/569653374.db2.gz YMMVMPFORROLGE-UHFFFAOYSA-N 1 0 463.626 3.140 50 10 JGCARO COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC[NH+](C)C)[C@H]3C2)cc1 ZINC000035871252 569718547 /nfs/dbraw/zinc/71/85/47/569718547.db2.gz DDPOKFGJWDHBJP-FYYLOGMGSA-N 1 0 476.543 3.259 50 10 JGCARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009138039 194563204 /nfs/dbraw/zinc/56/32/04/194563204.db2.gz GRZRXOOWCPHIDP-XMMPIXPASA-N 1 0 480.609 3.368 50 10 JGCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735325 519836873 /nfs/dbraw/zinc/83/68/73/519836873.db2.gz BSNSWVCGDUCDIO-SANMLTNESA-N 1 0 477.653 3.236 50 10 JGCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735309 524740120 /nfs/dbraw/zinc/74/01/20/524740120.db2.gz KKHQSDKVEDQISA-DEOSSOPVSA-N 1 0 484.044 3.074 50 10 JGCARO CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002273130 554127913 /nfs/dbraw/zinc/12/79/13/554127913.db2.gz ITUXBLXIVPAVIP-VVZNPABPSA-N 1 0 471.652 3.145 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000008799132 554686697 /nfs/dbraw/zinc/68/66/97/554686697.db2.gz OUVWBDAITPMPPB-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009138043 554933112 /nfs/dbraw/zinc/93/31/12/554933112.db2.gz GRZRXOOWCPHIDP-DEOSSOPVSA-N 1 0 480.609 3.368 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000009138243 554933379 /nfs/dbraw/zinc/93/33/79/554933379.db2.gz GGKTULJQFPVSLN-DEOSSOPVSA-N 1 0 480.609 3.368 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000009138137 554933391 /nfs/dbraw/zinc/93/33/91/554933391.db2.gz CHDMPJLOJOSLCX-DEOSSOPVSA-N 1 0 452.574 3.168 50 10 JGCARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000014534123 555822514 /nfs/dbraw/zinc/82/25/14/555822514.db2.gz WFLMJXKHSZKJGH-UHFFFAOYSA-N 1 0 467.566 3.236 50 10 JGCARO CCN1C[C@@H](C[NH2+]C2CCN(c3cccc(NC(=O)c4ccccc4OC)c3)CC2)CC1=O ZINC000012190343 555937479 /nfs/dbraw/zinc/93/74/79/555937479.db2.gz SBPOJHYJUJQIQB-LJQANCHMSA-N 1 0 450.583 3.374 50 10 JGCARO CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914056 556177865 /nfs/dbraw/zinc/17/78/65/556177865.db2.gz KXVMQVZWTQPKJZ-AREMUKBSSA-N 1 0 482.584 3.264 50 10 JGCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007908 556199128 /nfs/dbraw/zinc/19/91/28/556199128.db2.gz YTCCMRQKYHSDAL-HSZRJFAPSA-N 1 0 450.583 3.278 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(NC(=O)c4nnc(C)s4)cc3)CC2)cc1 ZINC000033011049 569616961 /nfs/dbraw/zinc/61/69/61/569616961.db2.gz UJAAIUNYCHVCHM-UHFFFAOYSA-N 1 0 494.621 3.050 50 10 JGCARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740537 569655290 /nfs/dbraw/zinc/65/52/90/569655290.db2.gz QBERELCPNQIVAO-DHLKQENFSA-N 1 0 457.590 3.229 50 10 JGCARO COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000245280423 570061828 /nfs/dbraw/zinc/06/18/28/570061828.db2.gz PVFKBUBNVOVWTJ-AHKZPQOWSA-N 1 0 478.637 3.173 50 10 JGCARO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009868917 195005237 /nfs/dbraw/zinc/00/52/37/195005237.db2.gz HYXJASYNGSSQAC-IBGZPJMESA-N 1 0 458.628 3.386 50 10 JGCARO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C3Cc4ccccc4C3)C2)cc1 ZINC000019839760 522212612 /nfs/dbraw/zinc/21/26/12/522212612.db2.gz KIWHGVGYOYGAHY-LSYYVWMOSA-N 1 0 469.633 3.164 50 10 JGCARO CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914060 522246747 /nfs/dbraw/zinc/24/67/47/522246747.db2.gz KXVMQVZWTQPKJZ-SANMLTNESA-N 1 0 482.584 3.264 50 10 JGCARO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cc(OC)ccc2O)CC3)o1 ZINC000014961647 522963977 /nfs/dbraw/zinc/96/39/77/522963977.db2.gz KGNUAWCVPVMVDD-OAQYLSRUSA-N 1 0 497.596 3.307 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21 ZINC000022734797 523920054 /nfs/dbraw/zinc/92/00/54/523920054.db2.gz HWVNKENQKBGHTI-LJQANCHMSA-N 1 0 461.404 3.143 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)cc1 ZINC000033045184 524424719 /nfs/dbraw/zinc/42/47/19/524424719.db2.gz RNNRMDZNOZDRRA-FQEVSTJZSA-N 1 0 494.665 3.245 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000002337611 554154865 /nfs/dbraw/zinc/15/48/65/554154865.db2.gz PIMIRSJBFHZNCN-RGEXLXHISA-N 1 0 483.663 3.289 50 10 JGCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(C)c1 ZINC000008799180 554686742 /nfs/dbraw/zinc/68/67/42/554686742.db2.gz BFIAMMTXNYJVAN-XMMPIXPASA-N 1 0 470.639 3.451 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000008813993 554696181 /nfs/dbraw/zinc/69/61/81/554696181.db2.gz NHDWGGNATYJCTL-SFHVURJKSA-N 1 0 488.991 3.169 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000008837611 554738589 /nfs/dbraw/zinc/73/85/89/554738589.db2.gz WTRLAOBGJNANTF-RGEXLXHISA-N 1 0 495.630 3.139 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000009135496 554932168 /nfs/dbraw/zinc/93/21/68/554932168.db2.gz FTLZGOHMMFIRSM-HSZRJFAPSA-N 1 0 455.002 3.292 50 10 JGCARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000014540111 555830489 /nfs/dbraw/zinc/83/04/89/555830489.db2.gz ZXWKYRXDAQGNOS-UHFFFAOYSA-N 1 0 497.592 3.245 50 10 JGCARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000015003990 555848853 /nfs/dbraw/zinc/84/88/53/555848853.db2.gz VMBJSVMSJFYFOO-UHFFFAOYSA-N 1 0 464.589 3.294 50 10 JGCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022666164 555941818 /nfs/dbraw/zinc/94/18/18/555941818.db2.gz XVBCMKWZRCWJMM-RUZDIDTESA-N 1 0 452.624 3.173 50 10 JGCARO COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(F)c4)c3C3CC[NH2+]CC3)CC2)cc1 ZINC000015727020 555966218 /nfs/dbraw/zinc/96/62/18/555966218.db2.gz MBAHJEDYXLLQDN-UHFFFAOYSA-N 1 0 463.557 3.449 50 10 JGCARO CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)SC1=S ZINC000019708538 556361517 /nfs/dbraw/zinc/36/15/17/556361517.db2.gz HDEOGWDCSDCESU-SILNSSARSA-N 1 0 491.642 3.238 50 10 JGCARO COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC[NH+](C)C)[C@H]3C2)cc1 ZINC000035871253 569718416 /nfs/dbraw/zinc/71/84/16/569718416.db2.gz DDPOKFGJWDHBJP-JTHBVZDNSA-N 1 0 476.543 3.259 50 10 JGCARO CC[C@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)c2c(O)c3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000239229132 570049539 /nfs/dbraw/zinc/04/95/39/570049539.db2.gz USZYSDMBJDPRIF-ILOWQRKSSA-N 1 0 811.878 3.158 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000009138194 194563296 /nfs/dbraw/zinc/56/32/96/194563296.db2.gz LQUUFWGTMSNVCE-QHCPKHFHSA-N 1 0 478.593 3.122 50 10 JGCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009828390 194976962 /nfs/dbraw/zinc/97/69/62/194976962.db2.gz VHEHCGLMPQRKCE-QHCPKHFHSA-N 1 0 450.583 3.278 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000033441439 521700849 /nfs/dbraw/zinc/70/08/49/521700849.db2.gz RUPISZZYYKGEMC-CPNJWEJPSA-N 1 0 495.630 3.139 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733730 523999539 /nfs/dbraw/zinc/99/95/39/523999539.db2.gz KESSQIYYAUOJRO-QFIPXVFZSA-N 1 0 457.416 3.160 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 ZINC000033060426 524423753 /nfs/dbraw/zinc/42/37/53/524423753.db2.gz BTDHPWZBCDHXNZ-UHFFFAOYSA-N 1 0 494.621 3.050 50 10 JGCARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000009165153 554950804 /nfs/dbraw/zinc/95/08/04/554950804.db2.gz GODQLYGSKMRCEF-HSZRJFAPSA-N 1 0 450.583 3.360 50 10 JGCARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009165362 554951062 /nfs/dbraw/zinc/95/10/62/554951062.db2.gz RGSITOLLFFTQGC-RUZDIDTESA-N 1 0 477.609 3.309 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2)cc1 ZINC000009561244 555358852 /nfs/dbraw/zinc/35/88/52/555358852.db2.gz OJDXHLBVPBYPHK-UHFFFAOYSA-N 1 0 487.963 3.404 50 10 JGCARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC000014533753 555822010 /nfs/dbraw/zinc/82/20/10/555822010.db2.gz AYMPYJXUAZJQLF-UHFFFAOYSA-N 1 0 497.592 3.245 50 10 JGCARO CC[C@]1(C2CC[NH+](Cc3ccc(OC)cc3O)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000012183260 555935737 /nfs/dbraw/zinc/93/57/37/555935737.db2.gz BNUSKFDNWVLSBB-XMMPIXPASA-N 1 0 472.611 3.321 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+](C)C)ccc21 ZINC000013008657 556200053 /nfs/dbraw/zinc/20/00/53/556200053.db2.gz XTZZQCRECQDJFD-FQEVSTJZSA-N 1 0 464.488 3.325 50 10 JGCARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3cc(Cl)ccc3O)C2)n1 ZINC000055091007 569590742 /nfs/dbraw/zinc/59/07/42/569590742.db2.gz FFBTWMMRHAJCRF-RTWAWAEBSA-N 1 0 490.073 3.352 50 10 JGCARO COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC[NH+](C)C)[C@@H]3C2)cc1 ZINC000247956935 570071653 /nfs/dbraw/zinc/07/16/53/570071653.db2.gz DDPOKFGJWDHBJP-GMAHTHKFSA-N 1 0 476.543 3.259 50 10 JGCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4cccs4)CC3)CC2)c1 ZINC000299772458 570176010 /nfs/dbraw/zinc/17/60/10/570176010.db2.gz YMNVJXMACBLKJV-JOCHJYFZSA-N 1 0 455.624 3.409 50 10 JGCARO CCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001800991 194142622 /nfs/dbraw/zinc/14/26/22/194142622.db2.gz MFFALAJNMVCWTJ-SDXDJHTJSA-N 1 0 471.652 3.146 50 10 JGCARO CCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033436696 520556320 /nfs/dbraw/zinc/55/63/20/520556320.db2.gz HBFOAVXYARXREI-NBVRZTHBSA-N 1 0 471.652 3.146 50 10 JGCARO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cc(OC)ccc2O)CC3)o1 ZINC000014961643 522962193 /nfs/dbraw/zinc/96/21/93/522962193.db2.gz KGNUAWCVPVMVDD-NRFANRHFSA-N 1 0 497.596 3.307 50 10 JGCARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012282323 524745215 /nfs/dbraw/zinc/74/52/15/524745215.db2.gz TZSNTQDIIMGVQU-IBGZPJMESA-N 1 0 453.543 3.161 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1 ZINC000002327409 554149767 /nfs/dbraw/zinc/14/97/67/554149767.db2.gz DASAVZNDDQRGGK-PDGQHHTCSA-N 1 0 471.652 3.002 50 10 JGCARO C[NH+](C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccc(Br)cc2)C1=O ZINC000002378020 554174769 /nfs/dbraw/zinc/17/47/69/554174769.db2.gz LDZVHPQACAFGCK-JXAWBTAJSA-N 1 0 473.396 3.149 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC ZINC000008801561 554686996 /nfs/dbraw/zinc/68/69/96/554686996.db2.gz KJIHZCRVWCEARQ-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1 ZINC000008834851 554733039 /nfs/dbraw/zinc/73/30/39/554733039.db2.gz YDEAPELGXKDFRI-SILNSSARSA-N 1 0 491.642 3.238 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)[NH+]3CCCCC3)ccc21 ZINC000009138016 554933070 /nfs/dbraw/zinc/93/30/70/554933070.db2.gz BHNBGDSPFQMBFS-DEOSSOPVSA-N 1 0 460.578 3.008 50 10 JGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000009138143 554933408 /nfs/dbraw/zinc/93/34/08/554933408.db2.gz KBTANDNRSWGDTE-QFIPXVFZSA-N 1 0 464.566 3.080 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000009138239 554933421 /nfs/dbraw/zinc/93/34/21/554933421.db2.gz GGKTULJQFPVSLN-XMMPIXPASA-N 1 0 480.609 3.368 50 10 JGCARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000009165156 554950821 /nfs/dbraw/zinc/95/08/21/554950821.db2.gz GODQLYGSKMRCEF-QHCPKHFHSA-N 1 0 450.583 3.360 50 10 JGCARO COc1ccccc1N1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N(c2ccccc2OC)C1=S ZINC000019949172 555565716 /nfs/dbraw/zinc/56/57/16/555565716.db2.gz GCFJFOPERVRAPO-UHFFFAOYSA-N 1 0 494.617 3.328 50 10 JGCARO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011913052 555862288 /nfs/dbraw/zinc/86/22/88/555862288.db2.gz ODIZPXAPFWCNNR-OAQYLSRUSA-N 1 0 474.609 3.193 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)cc1 ZINC000064925631 569646558 /nfs/dbraw/zinc/64/65/58/569646558.db2.gz UGRHHHVLMIBBHU-UHFFFAOYSA-N 1 0 485.592 3.075 50 10 JGCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4cccs4)CC3)CC2)c1 ZINC000299772459 570175999 /nfs/dbraw/zinc/17/59/99/570175999.db2.gz YMNVJXMACBLKJV-QFIPXVFZSA-N 1 0 455.624 3.409 50 10 JGCARO COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)c1 ZINC000012618483 195055948 /nfs/dbraw/zinc/05/59/48/195055948.db2.gz BUGSBMOIKACWOA-NRFANRHFSA-N 1 0 472.505 3.113 50 10 JGCARO COc1ccc(N2CCN([C@H]3c4ccccc4C[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000058164940 195369774 /nfs/dbraw/zinc/36/97/74/195369774.db2.gz NJPTYNRWKJYJIF-FTJBHMTQSA-N 1 0 463.603 3.462 50 10 JGCARO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000016382936 521517289 /nfs/dbraw/zinc/51/72/89/521517289.db2.gz NOGHTLQEVFRYJT-UHFFFAOYSA-N 1 0 456.612 3.371 50 10 JGCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1 ZINC000033671692 521700629 /nfs/dbraw/zinc/70/06/29/521700629.db2.gz DASAVZNDDQRGGK-LDADJPATSA-N 1 0 471.652 3.002 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733721 523998556 /nfs/dbraw/zinc/99/85/56/523998556.db2.gz BCFVFJKSMSKTTC-JOCHJYFZSA-N 1 0 457.416 3.160 50 10 JGCARO CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733719 523999386 /nfs/dbraw/zinc/99/93/86/523999386.db2.gz BCFVFJKSMSKTTC-QFIPXVFZSA-N 1 0 457.416 3.160 50 10 JGCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735262 524279229 /nfs/dbraw/zinc/27/92/29/524279229.db2.gz QWDXWJBNVZVJMD-RUZDIDTESA-N 1 0 477.653 3.038 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCN(c4nc5cccnc5s4)C3)CC2)cc1 ZINC000033045182 524423944 /nfs/dbraw/zinc/42/39/44/524423944.db2.gz RNNRMDZNOZDRRA-HXUWFJFHSA-N 1 0 494.665 3.245 50 10 JGCARO CCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002347503 554159548 /nfs/dbraw/zinc/15/95/48/554159548.db2.gz HBFOAVXYARXREI-JXAWBTAJSA-N 1 0 471.652 3.146 50 10 JGCARO CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002359160 554165086 /nfs/dbraw/zinc/16/50/86/554165086.db2.gz MBLIZSYWPRKVMV-CQUHBBLWSA-N 1 0 471.652 3.145 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC ZINC000008799008 554686720 /nfs/dbraw/zinc/68/67/20/554686720.db2.gz GDQUWAJNZBDLHI-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000008801635 554686925 /nfs/dbraw/zinc/68/69/25/554686925.db2.gz DKKZQIFBAAHNKC-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000008801634 554686931 /nfs/dbraw/zinc/68/69/31/554686931.db2.gz DKKZQIFBAAHNKC-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c2ccccc2n1 ZINC000008964145 554838276 /nfs/dbraw/zinc/83/82/76/554838276.db2.gz HOKXSDUDFWKSNF-VWLOTQADSA-N 1 0 457.578 3.427 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000009135732 554932390 /nfs/dbraw/zinc/93/23/90/554932390.db2.gz BGIPPCHFBHQJEX-HSZRJFAPSA-N 1 0 455.002 3.292 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)[NH+]3CCCCC3)ccc21 ZINC000009138014 554933064 /nfs/dbraw/zinc/93/30/64/554933064.db2.gz BHNBGDSPFQMBFS-XMMPIXPASA-N 1 0 460.578 3.008 50 10 JGCARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009138210 554933358 /nfs/dbraw/zinc/93/33/58/554933358.db2.gz MNURWUGIYKHUNE-VWLOTQADSA-N 1 0 464.610 3.037 50 10 JGCARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000014541629 555832316 /nfs/dbraw/zinc/83/23/16/555832316.db2.gz OQJRPSFNSBDLRS-UHFFFAOYSA-N 1 0 457.958 3.491 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)COCc3cc(-c4ccc(F)cc4)on3)CC2)cc1 ZINC000015679208 555944768 /nfs/dbraw/zinc/94/47/68/555944768.db2.gz CAQNJDHXRBVGNU-UHFFFAOYSA-N 1 0 482.556 3.334 50 10 JGCARO Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)sc12 ZINC000064459876 569617678 /nfs/dbraw/zinc/61/76/78/569617678.db2.gz UKPJGFNPHGRYRR-UHFFFAOYSA-N 1 0 489.649 3.295 50 10 JGCARO COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC[NH+](C)C)[C@@H]3C2)cc1 ZINC000169679342 569869570 /nfs/dbraw/zinc/86/95/70/569869570.db2.gz DDPOKFGJWDHBJP-GGAORHGYSA-N 1 0 476.543 3.259 50 10 JGCARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1 ZINC000009138366 194563469 /nfs/dbraw/zinc/56/34/69/194563469.db2.gz UYEUROBRPARCKB-DEOSSOPVSA-N 1 0 450.583 3.360 50 10 JGCARO COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)c1 ZINC000012618480 195055942 /nfs/dbraw/zinc/05/59/42/195055942.db2.gz BUGSBMOIKACWOA-OAQYLSRUSA-N 1 0 472.505 3.113 50 10 JGCARO COc1ccc(N2CCN([C@@H]3c4ccccc4C[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000058164939 195369858 /nfs/dbraw/zinc/36/98/58/195369858.db2.gz NJPTYNRWKJYJIF-CLJLJLNGSA-N 1 0 463.603 3.462 50 10 JGCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000033586812 521700820 /nfs/dbraw/zinc/70/08/20/521700820.db2.gz FMFBSUSNGDBFIP-XDJHFCHBSA-N 1 0 485.679 3.392 50 10 JGCARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000014744565 523288436 /nfs/dbraw/zinc/28/84/36/523288436.db2.gz WFCDXTRVVRREEB-SOFGYWHQSA-N 1 0 491.636 3.496 50 10 JGCARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022734751 524196665 /nfs/dbraw/zinc/19/66/65/524196665.db2.gz ORNACLMLSVHBBQ-HSZRJFAPSA-N 1 0 457.018 3.450 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4ccccc4Cl)o3)CC2)cc1 ZINC000008594203 524422852 /nfs/dbraw/zinc/42/28/52/524422852.db2.gz HTPPDUSDNVWDQT-UHFFFAOYSA-N 1 0 469.973 3.265 50 10 JGCARO O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020479974 527055461 /nfs/dbraw/zinc/05/54/61/527055461.db2.gz ZBQTYFPYCSKYQK-OQKWZONESA-N 1 0 452.624 3.258 50 10 JGCARO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000008799000 554686746 /nfs/dbraw/zinc/68/67/46/554686746.db2.gz UHKPGOYQPASXMH-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000008801553 554686972 /nfs/dbraw/zinc/68/69/72/554686972.db2.gz FJQQSJQUHXCLOT-QFIPXVFZSA-N 1 0 459.612 3.202 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000009138191 554933368 /nfs/dbraw/zinc/93/33/68/554933368.db2.gz LQUUFWGTMSNVCE-HSZRJFAPSA-N 1 0 478.593 3.122 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000009138134 554933376 /nfs/dbraw/zinc/93/33/76/554933376.db2.gz CHDMPJLOJOSLCX-XMMPIXPASA-N 1 0 452.574 3.168 50 10 JGCARO COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1 ZINC000009138419 554933577 /nfs/dbraw/zinc/93/35/77/554933577.db2.gz PGIKYEAHDMCDGZ-DEOSSOPVSA-N 1 0 464.610 3.037 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)C3CCN(c4nc5cccnc5s4)CC3)CC2)cc1 ZINC000015770212 555988647 /nfs/dbraw/zinc/98/86/47/555988647.db2.gz LZLWNQGDFBHMAU-UHFFFAOYSA-N 1 0 494.665 3.245 50 10 JGCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1OCC ZINC000023080544 556006774 /nfs/dbraw/zinc/00/67/74/556006774.db2.gz ZXRGFBJFJXAQRE-QHCPKHFHSA-N 1 0 454.615 3.269 50 10 JGCARO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)cc1 ZINC000012556009 556041923 /nfs/dbraw/zinc/04/19/23/556041923.db2.gz IKGWENYRDCXKOS-AREMUKBSSA-N 1 0 453.583 3.492 50 10 JGCARO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)cc1 ZINC000012556007 556041949 /nfs/dbraw/zinc/04/19/49/556041949.db2.gz IKGWENYRDCXKOS-SANMLTNESA-N 1 0 453.583 3.492 50 10 JGCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007922 556199481 /nfs/dbraw/zinc/19/94/81/556199481.db2.gz QWZHBXHNLISUAY-XMMPIXPASA-N 1 0 450.583 3.360 50 10 JGCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013008108 556199953 /nfs/dbraw/zinc/19/99/53/556199953.db2.gz RKCGXWWCMTXFCX-QHCPKHFHSA-N 1 0 450.583 3.360 50 10 JGCARO COc1ccc(N2CC[NH+](Cc3c([O-])c(C[N@@H+]4CCc5ccccc5C4)coc3=O)CC2)cc1 ZINC000101373019 569794741 /nfs/dbraw/zinc/79/47/41/569794741.db2.gz UJNBBCRESGWSNQ-UHFFFAOYSA-N 1 0 461.562 3.235 50 10 JGCARO CCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000102824365 569824200 /nfs/dbraw/zinc/82/42/00/569824200.db2.gz NDCLEHIJMRNJCP-FBMGVBCBSA-N 1 0 471.652 3.228 50 10 JGCARO COCCN(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000169678941 569869411 /nfs/dbraw/zinc/86/94/11/569869411.db2.gz QBERELCPNQIVAO-RCZVLFRGSA-N 1 0 457.590 3.229 50 10 JGCARO CN1CCc2cc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@@H](CO)C5)cc4)CC3)ccc21 ZINC000299766589 570175296 /nfs/dbraw/zinc/17/52/96/570175296.db2.gz DFMGZGDYSGXNMF-JOCHJYFZSA-N 1 0 462.638 3.282 50 10 JGCARO CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033423640 523946557 /nfs/dbraw/zinc/94/65/57/523946557.db2.gz MBLIZSYWPRKVMV-HZGBGQKMSA-N 1 0 471.652 3.145 50 10 JGCARO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022734754 524197673 /nfs/dbraw/zinc/19/76/73/524197673.db2.gz ORNACLMLSVHBBQ-QHCPKHFHSA-N 1 0 457.018 3.450 50 10 JGCARO Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000033314323 525452171 /nfs/dbraw/zinc/45/21/71/525452171.db2.gz QSEUIJMQUGZEAD-HMMYKYKNSA-N 1 0 491.642 3.156 50 10 JGCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735247 525762436 /nfs/dbraw/zinc/76/24/36/525762436.db2.gz WECRMHDYFPTFCB-DEOSSOPVSA-N 1 0 484.044 3.074 50 10 JGCARO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000008798999 554686750 /nfs/dbraw/zinc/68/67/50/554686750.db2.gz UHKPGOYQPASXMH-JOCHJYFZSA-N 1 0 459.612 3.202 50 10 JGCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(C)c1 ZINC000008799178 554686761 /nfs/dbraw/zinc/68/67/61/554686761.db2.gz BFIAMMTXNYJVAN-DEOSSOPVSA-N 1 0 470.639 3.451 50 10 JGCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000008801548 554686961 /nfs/dbraw/zinc/68/69/61/554686961.db2.gz OAVJOPKECKZLMU-DEOSSOPVSA-N 1 0 456.612 3.143 50 10 JGCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1 ZINC000009138060 554933059 /nfs/dbraw/zinc/93/30/59/554933059.db2.gz LONVSVJPCLGHSG-DEOSSOPVSA-N 1 0 450.583 3.360 50 10 JGCARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C ZINC000010013159 555593850 /nfs/dbraw/zinc/59/38/50/555593850.db2.gz RJROXTXJIBGDQT-UHFFFAOYSA-N 1 0 482.654 3.407 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)COCc3cc(-c4cccs4)on3)CC2)cc1 ZINC000020249079 555743376 /nfs/dbraw/zinc/74/33/76/555743376.db2.gz AHUKXMMBMJJAHY-UHFFFAOYSA-N 1 0 470.595 3.257 50 10 JGCARO CC[C@@]1(C2CC[NH+](Cc3ccc(OC)cc3O)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000012183255 555935759 /nfs/dbraw/zinc/93/57/59/555935759.db2.gz BNUSKFDNWVLSBB-DEOSSOPVSA-N 1 0 472.611 3.321 50 10 JGCARO CCN1C[C@H](C[NH2+]C2CCN(c3cccc(NC(=O)c4ccccc4OC)c3)CC2)CC1=O ZINC000012190344 555937392 /nfs/dbraw/zinc/93/73/92/555937392.db2.gz SBPOJHYJUJQIQB-IBGZPJMESA-N 1 0 450.583 3.374 50 10 JGCARO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccc2O)CC3)o1 ZINC000012211476 555942965 /nfs/dbraw/zinc/94/29/65/555942965.db2.gz OTROSWWOSMWTOF-FQEVSTJZSA-N 1 0 467.570 3.299 50 10 JGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+](C)C)ccc21 ZINC000013008658 556200078 /nfs/dbraw/zinc/20/00/78/556200078.db2.gz XTZZQCRECQDJFD-HXUWFJFHSA-N 1 0 464.488 3.325 50 10 JGCARO CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033879227 569636878 /nfs/dbraw/zinc/63/68/78/569636878.db2.gz ITUXBLXIVPAVIP-WDMNMGCXSA-N 1 0 471.652 3.145 50 10 JGCARO CCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000034259506 569639880 /nfs/dbraw/zinc/63/98/80/569639880.db2.gz MFFALAJNMVCWTJ-OBGWFSINSA-N 1 0 471.652 3.146 50 10 JGCARO COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000035911093 569726312 /nfs/dbraw/zinc/72/63/12/569726312.db2.gz PVFKBUBNVOVWTJ-BDYUSTAISA-N 1 0 478.637 3.173 50 10 JGCARO CC[C@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000239229134 570049542 /nfs/dbraw/zinc/04/95/42/570049542.db2.gz USZYSDMBJDPRIF-SMLXEPAGSA-N 1 0 811.878 3.158 50 10 JGCARO COc1cccc(O)c1C[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012613241 195054353 /nfs/dbraw/zinc/05/43/53/195054353.db2.gz YGLLZJXKNPETME-UHFFFAOYSA-N 1 0 450.495 3.415 50 10 JGCARO O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000020624045 195190816 /nfs/dbraw/zinc/19/08/16/195190816.db2.gz CLLLLCBRYBZGFY-QJOMJCCJSA-N 1 0 462.619 3.206 50 10 JGCARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2)c1ccc(F)cc1 ZINC000020785528 195225515 /nfs/dbraw/zinc/22/55/15/195225515.db2.gz RDIWVYUYSWNHRH-UHFFFAOYSA-N 1 0 462.573 3.048 50 10 JGCARO COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C3CC[NH2+]CC3)CC2)cc1 ZINC000020941163 195255601 /nfs/dbraw/zinc/25/56/01/195255601.db2.gz MKNVKGWHNLHZOP-UHFFFAOYSA-N 1 0 490.564 3.219 50 10 JGCARO CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000009009293 520692116 /nfs/dbraw/zinc/69/21/16/520692116.db2.gz VYZRBWQDLYXDAI-CAPFRKAQSA-N 1 0 472.611 3.468 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+]3CCCC3)ccc21 ZINC000008964119 554838211 /nfs/dbraw/zinc/83/82/11/554838211.db2.gz ZSUOLJZARAALNN-OAQYLSRUSA-N 1 0 476.499 3.469 50 10 JGCARO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c1O ZINC000009113637 554900733 /nfs/dbraw/zinc/90/07/33/554900733.db2.gz OPOPRWYTOGZCIR-UHFFFAOYSA-N 1 0 454.548 3.275 50 10 JGCARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009828391 555526145 /nfs/dbraw/zinc/52/61/45/555526145.db2.gz VHEHCGLMPQRKCE-HSZRJFAPSA-N 1 0 450.583 3.278 50 10 JGCARO CN(C)c1ccc(/C=C/C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000011787708 555821956 /nfs/dbraw/zinc/82/19/56/555821956.db2.gz PFFNXXCXLLIERG-ONEGZZNKSA-N 1 0 462.573 3.027 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21 ZINC000023857998 556093125 /nfs/dbraw/zinc/09/31/25/556093125.db2.gz OBUAYVKJQSCBJT-HSZRJFAPSA-N 1 0 455.002 3.292 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3C)CC2)cc1 ZINC000064925780 569646566 /nfs/dbraw/zinc/64/65/66/569646566.db2.gz MKWIIFLGHVUFPF-UHFFFAOYSA-N 1 0 485.592 3.075 50 10 JGCARO CCN(CC)c1ccc(CN(CC[NH+](C)C)C(=O)COc2ccccc2)c(OS(=O)(=O)CC)c1 ZINC000034921502 569672383 /nfs/dbraw/zinc/67/23/83/569672383.db2.gz CKPWDRJSCGTVCS-UHFFFAOYSA-N 1 0 491.654 3.231 50 10 JGCARO CCN(CC)c1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccccc2)c(OS(=O)(=O)CC)c1 ZINC000034921836 569672609 /nfs/dbraw/zinc/67/26/09/569672609.db2.gz POCKKYUDILMOKQ-UHFFFAOYSA-N 1 0 497.683 3.014 50 10 JGCARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000169679889 569869893 /nfs/dbraw/zinc/86/98/93/569869893.db2.gz WMUJUZOPCDMJGR-DHLKQENFSA-N 1 0 469.626 3.098 50 10 JGCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735322 519836883 /nfs/dbraw/zinc/83/68/83/519836883.db2.gz BSNSWVCGDUCDIO-AREMUKBSSA-N 1 0 477.653 3.236 50 10 JGCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733732 523998628 /nfs/dbraw/zinc/99/86/28/523998628.db2.gz KESSQIYYAUOJRO-JOCHJYFZSA-N 1 0 457.416 3.160 50 10 JGCARO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000008816310 554698132 /nfs/dbraw/zinc/69/81/32/554698132.db2.gz CBWYPURZLBAHBP-UHFFFAOYSA-N 1 0 455.559 3.320 50 10 JGCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000009271888 555044800 /nfs/dbraw/zinc/04/48/00/555044800.db2.gz SPUYDTTVIHUCDS-SDXDJHTJSA-N 1 0 471.652 3.084 50 10 JGCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O ZINC000015067898 555867907 /nfs/dbraw/zinc/86/79/07/555867907.db2.gz ADROICAFJKINQH-NRFANRHFSA-N 1 0 478.597 3.353 50 10 JGCARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c21 ZINC000015727411 555966785 /nfs/dbraw/zinc/96/67/85/555966785.db2.gz NLCALLSRJQMSJF-UHFFFAOYSA-N 1 0 453.543 3.259 50 10 JGCARO COc1ccc(N2CC[NH+](CCCNC(=O)CCn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)cc1 ZINC000033005679 569614435 /nfs/dbraw/zinc/61/44/35/569614435.db2.gz CKNGPFTXTDEVMW-UHFFFAOYSA-N 1 0 491.636 3.049 50 10 JGCARO C[N@H+](CCO)Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2c3c1noc3-c1ccccc1C2=O ZINC000063490359 569615293 /nfs/dbraw/zinc/61/52/93/569615293.db2.gz YLRIPANYTWNTQN-UHFFFAOYSA-N 1 0 486.528 3.019 50 10 JGCARO COCCN(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740536 569655334 /nfs/dbraw/zinc/65/53/34/569655334.db2.gz QBERELCPNQIVAO-RDGATRHJSA-N 1 0 457.590 3.229 50 10 JGCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 ZINC000102987275 569830681 /nfs/dbraw/zinc/83/06/81/569830681.db2.gz SPUYDTTVIHUCDS-OBGWFSINSA-N 1 0 471.652 3.084 50 10 JGCARO C[NH+](C)CC1CC[NH+](Cc2cc(I)cc(I)c2[O-])CC1 ZINC000241371336 570053142 /nfs/dbraw/zinc/05/31/42/570053142.db2.gz MMTFLBZYCGWKOY-UHFFFAOYSA-N 1 0 500.162 3.375 50 10 JGCARO